smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1ccn(Cc2ccccc2)n1 614318 UUQVFBBHWLZERQ-UHFFFAOYSA-N 203.201 1.840 5 50 BDBA Cc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 15443093 IIRHTTDXNXCWHP-UHFFFAOYSA-N 222.244 1.740 5 50 BDBA O=c1[nH]c(O)nc(-c2ccccc2)c1[N+](=O)[O-] 1748467 WKJBXBYHCDJRRY-UHFFFAOYSA-N 233.183 1.051 5 50 BDBA C=CC(=O)Nc1cc([N+](=O)[O-])ccc1OC 453841 RYABBJSJRVIXRI-UHFFFAOYSA-N 222.200 1.728 5 50 BDBA OCC1=CC[N@@+]2(Cc3ccccc3)CC[C@@H](O)[C@@H]12 247954846 MPDVSGSUYGUBLA-OAGGEKHMSA-N 246.330 1.069 5 50 BDBA biogenic COC(=O)Nc1cc([N+](=O)[O-])ccc1OC 376579 BEUKWVINOACFCF-UHFFFAOYSA-N 226.188 1.782 5 50 BDBA COc1ccc([N+](=O)[O-])c(C=O)c1[N+](=O)[O-] 1697566 JXXLAXCQRPYPLB-UHFFFAOYSA-N 226.144 1.324 5 50 BDBA C[N+]1(C)CC[C@H](CC[C@H]2CC[N+](C)(C)C2)C1 1857799162 PNJJVNBQBMXSOT-KBPBESRZSA-N 226.408 1.959 5 50 BDBA CCC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1 71774168 TYFIQQMXTJHVCD-UHFFFAOYSA-N 222.200 1.261 5 50 BDBA COc1ccc([N+](=O)[O-])c(N)c1Cl 231547274 FSPLLVSJOZOBGK-UHFFFAOYSA-N 202.597 1.839 5 50 BDBA C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)N1 3877872 WJUYWKJVECSDQD-AOOOYVTPSA-N 235.287 1.781 5 50 BDBA CC(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 261494330 VCBXVTBCWASAOA-UHFFFAOYSA-N 238.243 1.829 5 50 BDBA Cc1c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c1O 3080635 ODDGTMVJLFKOLT-UHFFFAOYSA-N 214.133 1.223 5 50 BDBA COC(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 14985550 MJSJVFTZSILELE-UHFFFAOYSA-N 225.156 1.080 5 50 BDBA in-vitro O=[N+]([O-])c1ccncc1N1CCSC1 169725785 KJLPJSAVEORILH-UHFFFAOYSA-N 211.246 1.501 5 50 BDBA O=c1ccc(-c2cccc([N+](=O)[O-])c2)c[nH]1 59750754 DKRKBVUETKJJLG-UHFFFAOYSA-N 216.196 1.950 5 50 BDBA O=[N+]([O-])c1ccc(N2CCCCCO2)nc1 253421606 YOKFRFVLSMJSIZ-UHFFFAOYSA-N 223.232 1.912 5 50 BDBA Cc1cc([N+](=O)[O-])ccc1N1CCC(O)CC1 40452500 LWUVIGLCSMWESU-UHFFFAOYSA-N 236.271 1.864 5 50 BDBA COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1 164324 LIROLLNTVLAPGP-ONEGZZNKSA-N 209.201 1.951 5 50 BDBA in-vitro COC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] 71789028 QLBGQKDRKJSSFI-UHFFFAOYSA-N 229.163 1.529 5 50 BDBA CCOc1c(C=O)cc([N+](=O)[O-])cc1OC 575698129 CTNMHZTYXOLIKR-UHFFFAOYSA-N 225.200 1.815 5 50 BDBA COCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 155993218 MQTIQORXYIGUIV-UHFFFAOYSA-N 240.215 1.275 5 50 BDBA Cc1cc2ncc(-c3[nH]ncc3[N+](=O)[O-])cn2n1 4809748 BXIUEDGNCCKVRB-UHFFFAOYSA-N 244.214 1.336 5 50 BDBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O 96800 UNJCZKYOAQGDIQ-UHFFFAOYSA-N 232.195 1.333 5 50 BDBA Cc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-] 3086191 UJUPPWUKIYQENG-UHFFFAOYSA-N 248.238 1.947 5 50 BDBA N=C(N)SCC(=O)c1cccc([N+](=O)[O-])c1 25631370 OBTORDZLPPFPCH-UHFFFAOYSA-N 239.256 1.404 5 50 BDBA CC1(C)C(=O)Nc2ccc([N+](=O)[O-])cc21 34568191 UMHSOWVJQJFESZ-UHFFFAOYSA-N 206.201 1.825 5 50 BDBA in-vitro O=C1CCc2cc(F)cc([N+](=O)[O-])c2N1 66055385 JWAKJRPZAXKJKN-UHFFFAOYSA-N 210.164 1.619 5 50 BDBA O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2)N1 1301202 GAGVVGLUMJMUDP-MWLCHTKSSA-N 220.228 1.283 5 50 BDBA O=C(O)c1cc(F)c(F)c([N+](=O)[O-])c1 37594078 QEGLWOZIWGKZJI-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA CCOC(=O)Cc1cc([N+](=O)[O-])cc(F)c1F 263623262 GAGINPFJUOKVID-UHFFFAOYSA-N 245.181 1.979 5 50 BDBA O=C(O)c1cc(F)cc([N+](=O)[O-])c1F 34613227 KMUYMGMBJNSLQM-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA in-vitro Cc1ccc(NS(C)(=O)=O)cc1[N+](=O)[O-] 67540 WZFHLQAYSGSNKO-UHFFFAOYSA-N 230.245 1.275 5 50 BDBA O=[N+]([O-])[C@@]1(Br)CN2CCC1CC2 958528499 PAJOIGZOBYRAIQ-ZETCQYMHSA-N 235.081 1.080 5 50 BDBA COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1N 5914881 ISMXPTNCRAJFPH-UHFFFAOYSA-N 230.607 1.617 5 50 BDBA CS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] 39270125 QXHBGUXOBBSNNZ-UHFFFAOYSA-N 219.193 1.137 5 50 BDBA in-vitro CCN(CC)c1ccc([N+](=O)[O-])c2nonc12 3996099 DNINAOMAGDOEKK-UHFFFAOYSA-N 236.231 1.977 5 50 BDBA O=[N+]([O-])c1ccc(I)nc1 335170 SJXWHBQWFBHASX-UHFFFAOYSA-N 249.995 1.594 5 50 BDBA COC(=O)CNc1ccsc1[N+](=O)[O-] 382645654 OVRVXEXNNDOHJT-UHFFFAOYSA-N 216.218 1.241 5 50 BDBA Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 158829250 TUDQYOZJKBLNLK-UHFFFAOYSA-N 207.189 1.062 5 50 BDBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OCOC2 1606274 UVPXPWJXOXDDKM-UHFFFAOYSA-N 226.144 1.370 5 50 BDBA O=C(/C=C/c1ccc([N+](=O)[O-])o1)n1cccn1 4189030 WYSJVHKQAGUTNQ-DUXPYHPUSA-N 233.183 1.738 5 50 BDBA O=c1ccnc(Nc2ccc([N+](=O)[O-])cc2)[nH]1 8672857 LCWJGGAEDQDKRX-UHFFFAOYSA-N 232.199 1.422 5 50 BDBA O=C(O)CCc1onc(Cl)c1[N+](=O)[O-] 14608628 XIUOTKIGDTVRCX-UHFFFAOYSA-N 220.568 1.253 5 50 BDBA COC(=O)c1ccc(C=O)c([N+](=O)[O-])c1 2526544 WGOOPYYIMZJWMA-UHFFFAOYSA-N 209.157 1.194 5 50 BDBA in-vitro CC(=O)SCC1CC[N+](C)(C)CC1 138352270 DRQREGSOYOWLBB-UHFFFAOYSA-N 202.343 1.753 5 50 BDBA O=C(Oc1ccccc1[N+](=O)[O-])C1CC1 473413 ZXIHAAFGBAPOSZ-UHFFFAOYSA-N 207.185 1.910 5 50 BDBA O=[N+]([O-])c1ccc(NCCO)c2cccnc12 4003293 VCGQPAXKUWHDNG-UHFFFAOYSA-N 233.227 1.547 5 50 BDBA C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 20413920 OEWWQMFPALMWEF-DTORHVGOSA-N 237.259 1.603 5 50 BDBA COC(=O)c1cc(C)cc([N+](=O)[O-])c1OC 43828163 URMHYERNBFGIOU-UHFFFAOYSA-N 225.200 1.698 5 50 BDBA Cc1c(Cl)cc(-n2cnnn2)cc1[N+](=O)[O-] 63617 AXJNEWFTODEYNN-UHFFFAOYSA-N 239.622 1.532 5 50 BDBA CNC(=O)COc1ccc(C)cc1[N+](=O)[O-] 4842379 CAFQKEZRELFCBH-UHFFFAOYSA-N 224.216 1.028 5 50 BDBA CSc1nnc(-c2ccc([N+](=O)[O-])o2)n1C 33754435 MJPUUPSABMZSBN-UHFFFAOYSA-N 240.244 1.705 5 50 BDBA COC(=O)Cc1ccc([N+](=O)[O-])cc1F 40845012 ZFELCQQSVRXXGP-UHFFFAOYSA-N 213.164 1.449 5 50 BDBA in-vitro CC(=O)Nc1nc(Cl)ccc1[N+](=O)[O-] 3956683 TWNSKFDHCYKQJL-UHFFFAOYSA-N 215.596 1.602 5 50 BDBA CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1 4284655 ZSHFMOUMOUOGKI-UHFFFAOYSA-N 224.172 1.251 5 50 BDBA biogenic,in-vitro NCCNc1ccc([N+](=O)[O-])cc1Cl 4142538 RDPNPSAGQXSAAH-UHFFFAOYSA-N 215.640 1.619 5 50 BDBA Nc1nc2cc([N+](=O)[O-])cc(Cl)c2o1 228903148 RVZMLKNBVLXHIR-UHFFFAOYSA-N 213.580 1.972 5 50 BDBA COC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 456530 RILFCHKBYUGTPR-MRVPVSSYSA-N 238.243 1.360 5 50 BDBA O=[N+]([O-])c1cccc(Br)n1 1296684 JULQLOHNPMMKTH-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA CC(=O)Nc1ccc(C=O)cc1[N+](=O)[O-] 5124953 CNCOWQRMRJIFOH-UHFFFAOYSA-N 208.173 1.366 5 50 BDBA in-vitro COCC(=O)Nc1cc([N+](=O)[O-])ccc1C 458499 MIKOMYBHVQRVFM-UHFFFAOYSA-N 224.216 1.488 5 50 BDBA COc1cc([N+](=O)[O-])ccc1N1CCOCC1 40457325 KORWLDQABONDQH-UHFFFAOYSA-N 238.243 1.440 5 50 BDBA CC(C)n1cnc2cc([N+](=O)[O-])ccc2c1=O 670419591 GWNMXBYNPAJNCF-UHFFFAOYSA-N 233.227 1.886 5 50 BDBA O=C(c1ccc([N+](=O)[O-])o1)N1CCCC1 2874920 LDUXYBUURARSSA-UHFFFAOYSA-N 210.189 1.424 5 50 BDBA CCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 839701466 LOAZHGLEFJQIEZ-GMTAPVOTSA-N 240.303 1.690 5 50 BDBA O=Cc1coc2c([N+](=O)[O-])cc(F)cc2c1=O 58295 MFTIKIFELZBYLH-UHFFFAOYSA-N 237.142 1.653 5 50 BDBA Cc1ccc(NS(C)(=O)=O)c([N+](=O)[O-])c1 4772911 ZJYPBPBXLHONNC-UHFFFAOYSA-N 230.245 1.275 5 50 BDBA O=c1ccc2nc3ccc(O)cc3oc-2c1 4428361 HSSLDCABUXLXKM-UHFFFAOYSA-N 213.192 1.998 5 50 BDBA biogenic,in-vitro COC(=O)c1cc(C)cc([N+](=O)[O-])c1F 79387499 QHDPTYXYSHUKEV-UHFFFAOYSA-N 213.164 1.829 5 50 BDBA COC(=O)c1ccc(C)c([N+](=O)[O-])c1C 95643257 YSUYMIMLCZOBJX-UHFFFAOYSA-N 209.201 1.998 5 50 BDBA in-vitro CCc1nnc(CNc2ccc([N+](=O)[O-])cn2)o1 253418851 BCUOKHHACHPDDN-UHFFFAOYSA-N 249.230 1.547 5 50 BDBA Nc1ncc(Br)cc1[N+](=O)[O-] 19202471 QOOCOFOGYRQPPN-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA COc1ccc(NC(=O)C2CC2)c([N+](=O)[O-])c1 4748698 FIAORTYGWLBHBK-UHFFFAOYSA-N 236.227 1.952 5 50 BDBA CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 95495682 ISQRICLAHYLKQY-UHFFFAOYSA-N 222.200 1.913 5 50 BDBA Cc1ccc(CNc2nncn2C)cc1[N+](=O)[O-] 162115904 PEVAYVLYKAJFTH-UHFFFAOYSA-N 247.258 1.644 5 50 BDBA CC(=O)Nc1ccc(N(C)C)cc1[N+](=O)[O-] 3894613 ZCJRJKWPQUPUGP-UHFFFAOYSA-N 223.232 1.619 5 50 BDBA O=[N+]([O-])[C@]12c3ccccc3N[C@@H]1N1C=CO[C@@H]12 136982442 SFMXJKOCOJUINV-GMTAPVOTSA-N 231.211 1.053 5 50 BDBA CCOC(=O)Cc1c(Cl)cncc1[N+](=O)[O-] 95630457 KOUWHUCYTQFGGQ-UHFFFAOYSA-N 244.634 1.749 5 50 BDBA CCOC(=O)Cc1ccc(N)c([N+](=O)[O-])c1 95643165 WQXMYFFEVKIQHU-UHFFFAOYSA-N 224.216 1.283 5 50 BDBA in-vitro Cc1ccc([N+](=O)[O-])cc1NS(C)(=O)=O 93583 VBAPIAUYXZTCCW-UHFFFAOYSA-N 230.245 1.275 5 50 BDBA O=[N+]([O-])c1ccc(N2CCC[C@@H](O)C2)cc1 4773245 QZGBEKMQNFGXSX-LLVKDONJSA-N 222.244 1.556 5 50 BDBA O=[N+]([O-])c1ccc2c(c1O)CCC[C@H]2O 71773378 USELYHOTSBMMNB-SECBINFHSA-N 209.201 1.670 5 50 BDBA O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccccc2F)N1 90285 QGDNPJMOWINWST-GXSJLCMTSA-N 238.218 1.422 5 50 BDBA CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2058256 DEGIKAAXLMXRRP-UHFFFAOYSA-N 239.187 1.205 5 50 BDBA COC(=O)c1c(N)ccc([N+](=O)[O-])c1F 169801150 KMTMCDRVSQRVFM-UHFFFAOYSA-N 214.152 1.103 5 50 BDBA Cc1cc(S(C)(=O)=O)cc([N+](=O)[O-])c1F 15443644 XCPRPDSTHZGYMI-UHFFFAOYSA-N 233.220 1.446 5 50 BDBA COC(=O)c1noc2cc([N+](=O)[O-])ccc12 1397302 RDAMDINPNCIMJD-UHFFFAOYSA-N 222.156 1.523 5 50 BDBA O=C(O)CCCNc1ncccc1[N+](=O)[O-] 3884351 WTHQDFIWIPIGLI-UHFFFAOYSA-N 225.204 1.267 5 50 BDBA CCOC(=O)Cc1c(F)cc(F)cc1[N+](=O)[O-] 263623638 JFPYFSFHJNAVPH-UHFFFAOYSA-N 245.181 1.979 5 50 BDBA COc1cc(Br)cc([N+](=O)[O-])c1N 57353810 OFIIFSJGHGCQHO-UHFFFAOYSA-N 247.048 1.948 5 50 BDBA O=C(O)CNSc1ccccc1[N+](=O)[O-] 34628301 BCPNDPYJZOYENE-UHFFFAOYSA-N 228.229 1.276 5 50 BDBA NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5061647 ZTEHWWQGSLIMHY-UHFFFAOYSA-N 249.270 1.684 5 50 BDBA O=c1oc2ccccc2c2c1cnc1ncnn12 2325809510 CURFFIIIJQCQAM-UHFFFAOYSA-N 238.206 1.384 5 50 BDBA CCOC(=O)[C@@H](C[N+](=O)[O-])c1ccccc1 4760068 HPSXSPNCILFZKH-JTQLQIEISA-N 223.228 1.610 5 50 BDBA Nc1cc(Br)cc([N+](=O)[O-])c1O 73642796 SAOMJFDQNMQPJJ-UHFFFAOYSA-N 233.021 1.645 5 50 BDBA Cc1cc(O[C@H](C)C(=O)O)ccc1[N+](=O)[O-] 2526129 WOWVFMALMORJJS-SSDOTTSWSA-N 225.200 1.755 5 50 BDBA in-vitro COc1cc([N+](=O)[O-])ccc1N1CCCC1=O 670423266 ISECEYWKXUCZHT-UHFFFAOYSA-N 236.227 1.730 5 50 BDBA COc1c([N+](=O)[O-])c(=O)oc2ccccc12 171742 BTTOONAXXUOYSY-UHFFFAOYSA-N 221.168 1.710 5 50 BDBA NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 36608 CGXRJCDXGJRBHV-UHFFFAOYSA-N 200.581 1.347 5 50 BDBA N[C@H](CC(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 2586223 FWKPRIDXTRTCLJ-SSDOTTSWSA-N 244.634 1.723 5 50 BDBA COC(=O)c1cc(O)c(Cl)c([N+](=O)[O-])c1 197271311 UISBPFIZGNICMM-UHFFFAOYSA-N 231.591 1.740 5 50 BDBA O=C(O)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 8700061 VOICPTATNWDOES-UHFFFAOYSA-N 233.183 1.683 5 50 BDBA O=C(O)c1cc(F)cc(F)c1[N+](=O)[O-] 2523066 ZBEWIPTYUHHZIS-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA in-vitro Cc1c([N+](=O)[O-])cc(CO)cc1[N+](=O)[O-] 2583625 CFABPPYLLXJWIW-UHFFFAOYSA-N 212.161 1.304 5 50 BDBA in-vitro COc1cccc(-n2cnc([N+](=O)[O-])c2)c1 281448 IOKFORPKRALUDL-UHFFFAOYSA-N 219.200 1.789 5 50 BDBA Nc1cc(C(=O)N2CCCCC2)cc([N+](=O)[O-])c1 1426084 MWGQCZCIGILNQR-UHFFFAOYSA-N 249.270 1.803 5 50 BDBA COc1cc(F)c(C=O)c(F)c1[N+](=O)[O-] 116573050 JINBLHBNFBMWJX-UHFFFAOYSA-N 217.127 1.694 5 50 BDBA O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 1495011 LHFOJSCXLFKDIR-UHFFFAOYSA-N 206.157 1.774 5 50 BDBA in-vitro CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4117043 QUZMCJMGHMRZHA-UHFFFAOYSA-N 249.270 1.263 5 50 BDBA in-vitro CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 229551941 LROOLBRVKOBZJO-UHFFFAOYSA-N 213.168 1.485 5 50 BDBA CN(C)c1cc(CCC(=O)O)ccc1[N+](=O)[O-] 1775956168 XUIOKZRAXSYFNC-UHFFFAOYSA-N 238.243 1.678 5 50 BDBA Cc1c([N+](=O)[O-])c(C(F)F)nn1CC(=O)O 1304699 DDUHAPRAGZZKCT-UHFFFAOYSA-N 235.146 1.122 5 50 BDBA CC(C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 3075297 AGNODYCWEZDMHI-UHFFFAOYSA-N 244.272 1.282 5 50 BDBA C[C@@H](O)CN(c1ncccc1[N+](=O)[O-])C1CC1 585091304 AHVFUPQIVYPZQW-MRVPVSSYSA-N 237.259 1.339 5 50 BDBA CN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4819043 SVXUJOMAWXJSIK-UHFFFAOYSA-N 239.250 1.486 5 50 BDBA in-vitro CN(C)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5668199 VFEKCHHDYHKZMK-UHFFFAOYSA-N 239.231 1.607 5 50 BDBA O=Cc1ccc(SCCO)c([N+](=O)[O-])c1 2838067 XSYMXWCKFYGWDT-UHFFFAOYSA-N 227.241 1.492 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(C(=O)OC)s1 95494795 YWBOQVIGDBXVPY-UHFFFAOYSA-N 245.212 1.230 5 50 BDBA N=c1sccn1Cc1ccccc1[N+](=O)[O-] 15636488 KPNAJLPCNJEEFJ-UHFFFAOYSA-N 235.268 1.986 5 50 BDBA COc1ccc(CC[N+](C)(C)C)cc1OC 394482 NFTGJBZGTSUQKG-UHFFFAOYSA-N 224.324 1.953 5 50 BDBA Cc1nn(C)c(C)c1Cn1cc([N+](=O)[O-])cn1 2741255 MBNUPDPYRUGQGG-UHFFFAOYSA-N 235.247 1.190 5 50 BDBA COC(=O)CC(=O)Cc1cccc([N+](=O)[O-])c1 36532573 FRTSMBODTWXFRH-UHFFFAOYSA-N 237.211 1.270 5 50 BDBA Cc1cc(F)c(C(=O)C(=O)O)cc1[N+](=O)[O-] 725262003 QLAXQPYUVGYLKI-UHFFFAOYSA-N 227.147 1.310 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](O)C1 46341230 PUEOIIRRWGCFQJ-SECBINFHSA-N 240.234 1.695 5 50 BDBA in-vitro C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccon1 354562533 ADEBNYRKVWFVSE-LURJTMIESA-N 235.203 1.546 5 50 BDBA Nc1cc(O)c([N+](=O)[O-])c2cccnc12 71773697 MCOJBCDHIGYGLO-UHFFFAOYSA-N 205.173 1.431 5 50 BDBA O=[N+]([O-])c1cccc(C2[N@@]3CCC[N@]23)c1 1857524620 UTMXLMJYPPUYLQ-VXGBXAGGSA-N 205.217 1.530 5 50 BDBA O=C(O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 373772 RXZUBSJMBVABMA-UHFFFAOYSA-N 247.210 1.538 5 50 BDBA COCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 303991 WXEWXDPHJZFRGX-UHFFFAOYSA-N 228.179 1.319 5 50 BDBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccon1 1055662 IQXCLFHHXKFJRJ-UHFFFAOYSA-N 247.210 1.764 5 50 BDBA CCOC(=O)c1[nH]c(C)c([N+](=O)[O-])c1C 314811 AZGXAAUDJWAVHF-UHFFFAOYSA-N 212.205 1.716 5 50 BDBA Nc1ncnc(Nc2ccccn2)c1[N+](=O)[O-] 3912734 JRSCVGBMKGFJEP-UHFFFAOYSA-N 232.203 1.106 5 50 BDBA O=Cc1ccc(N2CC(F)(F)C2)c([N+](=O)[O-])c1 169725247 JWKMTANSLPVXDD-UHFFFAOYSA-N 242.181 1.863 5 50 BDBA COc1cccc2c(O)c([N+](=O)[O-])cnc12 256051238 IIMPRAVNEYOBHA-UHFFFAOYSA-N 220.184 1.857 5 50 BDBA COCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 4776647 PGXZNKSUHMEKQZ-UHFFFAOYSA-N 239.231 1.363 5 50 BDBA C[C@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 162659689 MOCVJGILWDNEAU-IUCAKERBSA-N 237.259 1.197 5 50 BDBA Cn1cnc([N+](=O)[O-])c1Br 13207660 PQZGBZGIQGQAFD-UHFFFAOYSA-N 205.999 1.091 5 50 BDBA O=C(c1cccc([N+](=O)[O-])c1)n1cccn1 476587 FTQAJICLVLRIQF-UHFFFAOYSA-N 217.184 1.480 5 50 BDBA Cc1c(C(=O)O)nnn1-c1ccc([N+](=O)[O-])cc1 2387739 ODJVXAACULLVHI-UHFFFAOYSA-N 248.198 1.182 5 50 BDBA COCCCNc1ccc([N+](=O)[O-])c(N)n1 86830323 IULIKSKSSYTTHQ-UHFFFAOYSA-N 226.236 1.020 5 50 BDBA CCCN(C)c1cc(N)c([N+](=O)[O-])cn1 669383004 QLFQYYWSYYVCMK-UHFFFAOYSA-N 210.237 1.418 5 50 BDBA CCCN(CCC)c1ncnc(N)c1[N+](=O)[O-] 4059592 BCOSNTUHWLUHJG-UHFFFAOYSA-N 239.279 1.593 5 50 BDBA Cc1noc(-c2ccccc2[N+](=O)[O-])n1 39264137 ITACPJRXFXXTED-UHFFFAOYSA-N 205.173 1.953 5 50 BDBA O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC1 147245908 VYDNAFSMBGPHCA-UHFFFAOYSA-N 220.228 1.416 5 50 BDBA COc1cc([N+](=O)[O-])cc(OC)c1OC 159154 HZXMMBPRQGKMSW-UHFFFAOYSA-N 213.189 1.621 5 50 BDBA O=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 3884580 MKTQASLRSMDHRE-UHFFFAOYSA-N 236.227 1.893 5 50 BDBA CC[C@H]1Oc2ccc([N+](=O)[O-])cc2NC1=O 39332601 LPYHRYFOSFRFGE-MRVPVSSYSA-N 222.200 1.704 5 50 BDBA Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] 8383092 FZJGZCSVWGKDAK-UHFFFAOYSA-N 227.132 1.720 5 50 BDBA Cn1c(=O)c([N+](=O)[O-])c(N)c2ccccc21 3958334 CLOXDVZMXUNYKA-UHFFFAOYSA-N 219.200 1.029 5 50 BDBA CCOC(=O)Cc1ccc(F)cc1[N+](=O)[O-] 261508797 WZJVOVVGHUMGBD-UHFFFAOYSA-N 227.191 1.840 5 50 BDBA Cn1cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2n1 2381267 YQGZFDCUEMQLPP-UHFFFAOYSA-N 222.160 1.390 5 50 BDBA Cc1nn(C)c2c1C(=O)c1cccc([N+](=O)[O-])c1-2 71784715 QUAQUJAAEGBTMI-UHFFFAOYSA-N 243.222 1.848 5 50 BDBA O=[N+]([O-])c1ccccc1C[S@@](=O)O 142201740 LHJHBBOBTVQGLE-UHFFFAOYSA-N 201.203 1.317 5 50 BDBA NC(=O)c1cc(Br)ccc1[N+](=O)[O-] 1558605 SGFOXBODMLDOCU-UHFFFAOYSA-N 245.032 1.456 5 50 BDBA in-vitro O=[N+]([O-])c1ccccc1Cn1ccnc1 12375616 GXVAHCGFGVRIHQ-UHFFFAOYSA-N 203.201 1.840 5 50 BDBA C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 839735252 ZNRDSQJNWNFYCL-GWOFURMSSA-N 240.303 1.737 5 50 BDBA CC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 3134348 QGSVIIVTOWWDFI-MRVPVSSYSA-N 209.201 1.951 5 50 BDBA CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1N 4240293 PJSMHOIXOKZIMX-UHFFFAOYSA-N 228.179 1.493 5 50 BDBA in-vitro O=C(O)c1nn(-c2ccccc2)cc1[N+](=O)[O-] 90469386 HZENRRKFQYHSJU-UHFFFAOYSA-N 233.183 1.479 5 50 BDBA O=C(O)CCNc1ncc([N+](=O)[O-])cc1Cl 236430849 PEYGEUHVJJETIC-UHFFFAOYSA-N 245.622 1.530 5 50 BDBA COCCCNC(=O)c1ccccc1[N+](=O)[O-] 4141565 MBDWSJDVBDFCMC-UHFFFAOYSA-N 238.243 1.361 5 50 BDBA COc1cc(F)c([N+](=O)[O-])cc1C(=O)O 71864128 VWJJZZCFGCQMOA-UHFFFAOYSA-N 215.136 1.441 5 50 BDBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1 2566694 VIPIQYQJPCFIER-UHFFFAOYSA-N 220.228 1.831 5 50 BDBA in-vitro CN1CCN(c2ccccc2[N+](=O)[O-])CC1 4065362 SSRLRVMFEGGGMQ-UHFFFAOYSA-N 221.260 1.347 5 50 BDBA in-vitro O=C(NC1CC1)c1cccc([N+](=O)[O-])c1F 261493845 KNBYPEXWZQOWSG-UHFFFAOYSA-N 224.191 1.626 5 50 BDBA CCOC(=O)c1ccc(O)c([N+](=O)[O-])c1 34800308 FBHJNBWUGONVNS-UHFFFAOYSA-N 211.173 1.477 5 50 BDBA in-vitro C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)O 2526131 OYYFEDUOOFSUGM-ZCFIWIBFSA-N 211.173 1.447 5 50 BDBA in-vitro CCOC(=O)[C@@H](CC)n1cc([N+](=O)[O-])cn1 2537614 WIVVOTBVCOOVIQ-MRVPVSSYSA-N 227.220 1.306 5 50 BDBA O=C(O)c1cnc(Cl)c([N+](=O)[O-])c1 1597531 HCRHNMXCDNACMH-UHFFFAOYSA-N 202.553 1.341 5 50 BDBA in-vitro COC(=O)CNc1cccc([N+](=O)[O-])c1 292577 FYSBDPODOKCGKN-UHFFFAOYSA-N 210.189 1.180 5 50 BDBA CNc1ccnc(Br)c1[N+](=O)[O-] 80443454 ZMAMQVGVCLDYMJ-UHFFFAOYSA-N 232.037 1.794 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(N2CCC3(CC3)C2)nc1 588040547 CNZHDWTYYPQGMO-UHFFFAOYSA-N 219.244 1.980 5 50 BDBA COC(=O)c1nn(C)c2ccc([N+](=O)[O-])cc12 95742666 MKEULQKLHYUEBS-UHFFFAOYSA-N 235.199 1.268 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(O)cc1C 98087478 FRVADWZGTAVQNX-UHFFFAOYSA-N 211.173 1.395 5 50 BDBA O=[N+]([O-])c1ccc(OC2CCOCC2)nc1F 261493727 IBRQRCRKGPLDCI-UHFFFAOYSA-N 242.206 1.687 5 50 BDBA CCOC(=O)CC1(C[N+](=O)[O-])CCOCC1 222065750 LRVRJOBNSSTGDL-UHFFFAOYSA-N 231.248 1.013 5 50 BDBA in-vitro Cc1cc(O)nn1-c1ccc([N+](=O)[O-])cc1 1601772 CIZYXFOTWNJIQM-UHFFFAOYSA-N 219.200 1.795 5 50 BDBA C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1 3878507 JLCKZYKOWUVIPC-VIFPVBQESA-N 221.260 1.393 5 50 BDBA in-vitro O=[N+]([O-])c1c[n+]([O-])n(-c2cccc(Cl)c2)n1 2875325 XNIADASDCXRIJC-UHFFFAOYSA-N 240.606 1.067 5 50 BDBA O=Cc1cc(Br)cc([N+](=O)[O-])c1O 56983 YEYPSUQQZNDKDE-UHFFFAOYSA-N 246.016 1.875 5 50 BDBA biogenic,in-vitro O=C1NCCN1c1ccccc1[N+](=O)[O-] 5412361 YBRKPAGSKIHGOY-UHFFFAOYSA-N 207.189 1.124 5 50 BDBA in-vitro CCOC(=O)c1cc([N+](=O)[O-])ccc1F 21299138 UJIPWFPJAVYMHV-UHFFFAOYSA-N 213.164 1.911 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(NCCO)c2ncccc12 3877824 IMAVNOXINUBPTK-UHFFFAOYSA-N 233.227 1.547 5 50 BDBA Cc1cc([N+](=O)[O-])nn1Cc1nccs1 193876595 WRBBQRDNSXDDJE-UHFFFAOYSA-N 224.245 1.605 5 50 BDBA Cc1cc(OC[C@@H]2CO2)ccc1[N+](=O)[O-] 294810 KPSRPFWGKNZDPP-SECBINFHSA-N 209.201 1.681 5 50 BDBA CN1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1 3880408 HGRRRPBLEXGIJU-UHFFFAOYSA-N 249.270 1.159 5 50 BDBA CC(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 261494197 RSKHXQGVLLXUIS-UHFFFAOYSA-N 224.216 1.439 5 50 BDBA CC(=O)Nc1ccc(OC(C)=O)cc1[N+](=O)[O-] 3845183 HSCNPJOXRGUVFK-UHFFFAOYSA-N 238.199 1.479 5 50 BDBA biogenic,in-vitro O=C(O)/C=C/c1cc(F)cc([N+](=O)[O-])c1F 263624057 NBHCNAIQUDKOKT-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA C=C(C(=O)OC)c1cc(OC)ccc1[N+](=O)[O-] 36467954 DOOYWMWOHYSSBM-UHFFFAOYSA-N 237.211 1.790 5 50 BDBA O=C(O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 167843 FLYKERXELOIGQB-UHFFFAOYSA-N 233.183 1.479 5 50 BDBA in-vitro COc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] 1575627 HVNUPXQONRHUOX-UHFFFAOYSA-N 212.161 1.820 5 50 BDBA in-vitro Cn1cc([N+](=O)[O-])cc1C(=O)OC(C)(C)C 2566826 LUCCDDXLASSKID-UHFFFAOYSA-N 226.232 1.889 5 50 BDBA Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1N 4530132 PIPCHWSOJRYSKP-UHFFFAOYSA-N 210.189 1.492 5 50 BDBA c1ccc(CC[N+]23CCN(CC2)CC3)cc1 219768145 KWFCATNSMUSCIE-UHFFFAOYSA-N 217.336 1.375 5 50 BDBA O=[N+]([O-])c1cnccc1N1CCCCC1 19801041 ZITKFLGHHRRQNW-UHFFFAOYSA-N 207.233 1.980 5 50 BDBA Cc1nn(CCCC(=O)O)c([N+](=O)[O-])c1Cl 34928892 XDVITRSDRWVJJT-UHFFFAOYSA-N 247.638 1.618 5 50 BDBA CN(C)c1cc([N+](=O)[O-])ccc1S(C)(=O)=O 95218028 FUALTCLJNGRRGR-UHFFFAOYSA-N 244.272 1.064 5 50 BDBA O=CNc1cc([N+](=O)[O-])ccc1Br 1603076 ATYLSWFOQJOHCN-UHFFFAOYSA-N 245.032 1.926 5 50 BDBA CC(=O)Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] 4543854 LZBXUWOTXPNTNQ-UHFFFAOYSA-N 243.150 1.601 5 50 BDBA O=[N+]([O-])c1cncc(Br)c1 14982289 WHYJVHQKKJHXTB-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA in-vitro O=C(Nc1cccc([N+](=O)[O-])c1)c1cnccn1 190507 LLIKXROKDKTGBG-UHFFFAOYSA-N 244.210 1.637 5 50 BDBA COC(=O)c1c(F)ccc([N+](=O)[O-])c1C 114059787 VSAHHNFBEGJLEX-UHFFFAOYSA-N 213.164 1.829 5 50 BDBA Cc1ccc([N+](=O)[O-])c2nc(Cl)cc(=O)n12 725245543 VMPPZSOUZGWDDG-UHFFFAOYSA-N 239.618 1.565 5 50 BDBA CCN(CC)CCNc1ccc([N+](=O)[O-])cn1 4030643 RBVAEECTSYJYQA-UHFFFAOYSA-N 238.291 1.744 5 50 BDBA O=C1CSC(=O)N1c1ccc([N+](=O)[O-])cc1 4565354 HGJFMGQUKMSNJP-UHFFFAOYSA-N 238.224 1.795 5 50 BDBA NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 86012976 UBQKJSYEDMRTBO-UHFFFAOYSA-N 219.200 1.104 5 50 BDBA O=[N+]([O-])c1ccc(F)c([S@](=O)O)c1 675059268 FPAATXUBHGPLFL-UHFFFAOYSA-N 205.166 1.315 5 50 BDBA CC(=O)Nc1cc(C(=O)O)ccc1[N+](=O)[O-] 5900119 HCRXJQUTVJMSIK-UHFFFAOYSA-N 224.172 1.251 5 50 BDBA in-vitro O=C(O)c1ncc(Br)cc1[N+](=O)[O-] 40448811 NLHXGZDQNSRWHH-UHFFFAOYSA-N 247.004 1.451 5 50 BDBA in-vitro O=C(O)COc1ccc(F)cc1[N+](=O)[O-] 1706136 HJYGFQJZJGUBLQ-UHFFFAOYSA-N 215.136 1.197 5 50 BDBA in-vitro COCC(=O)Nc1ccccc1[N+](=O)[O-] 4916128 TXHCJYDWXMEXGP-UHFFFAOYSA-N 210.189 1.180 5 50 BDBA NC(=O)c1c(Cl)cccc1[N+](=O)[O-] 2389374 WPVXBESIHVJEOI-UHFFFAOYSA-N 200.581 1.347 5 50 BDBA in-vitro CN(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2567297 OXIFFLMOPHMUEE-UHFFFAOYSA-N 211.177 1.569 5 50 BDBA O=C(NCc1ccncc1)c1ccc([N+](=O)[O-])o1 183007 WCVVVRGNVZLAHR-UHFFFAOYSA-N 247.210 1.513 5 50 BDBA COc1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 338827 ZTPILCFVGFXZOA-HWKANZROSA-N 223.184 1.701 5 50 BDBA C[C@@H]([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-] 167807 FCWYFQGGRBDNRW-IMTBSYHQSA-N 207.185 1.563 5 50 BDBA in-vitro O=C(O)c1ccnc2ccc([N+](=O)[O-])cc12 7023353 VORLKHCMDHXIQH-UHFFFAOYSA-N 218.168 1.841 5 50 BDBA O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)cc1 34826291 KWMXJSMRNOVCDS-SNVBAGLBSA-N 208.217 1.166 5 50 BDBA in-vitro O=c1nc2ccccn2c2ccc([N+](=O)[O-])cc12 4343332 LHOKKZZLUZTPBP-UHFFFAOYSA-N 241.206 1.756 5 50 BDBA COc1ccc([C@H](O)C[N+](=O)[O-])cc1OC 19909514 AOMQIZUQJSVRST-MRVPVSSYSA-N 227.216 1.014 5 50 BDBA O=[N+]([O-])[C@H]1CCC[C@@H]2[C@H]1CCC[C@H]2[N+](=O)[O-] 4533136 QTKVEILORHUNPS-KYXWUPHJSA-N 228.248 1.877 5 50 BDBA O=C(O)/C=C\C(=O)Nc1ccccc1[N+](=O)[O-] 31343116 LGJRLNBGSCFUBL-WAYWQWQTSA-N 236.183 1.174 5 50 BDBA O=[N+]([O-])c1ccc(N2CCC[C@H]2CO)cc1 4520906 HCVBBVTZZJFVLA-NSHDSACASA-N 222.244 1.556 5 50 BDBA in-vitro COC(=O)C1CN(c2ccccc2[N+](=O)[O-])C1 90513636 MXPDVSYMACWJGK-UHFFFAOYSA-N 236.227 1.204 5 50 BDBA N#CCN(CC#N)C(=O)c1cccc([N+](=O)[O-])c1 103311 LWDCUBRPCUCTHR-UHFFFAOYSA-N 244.210 1.084 5 50 BDBA O=C(Nc1ncccn1)c1ccc([N+](=O)[O-])o1 255527 KCHGOPIQDAYFTC-UHFFFAOYSA-N 234.171 1.230 5 50 BDBA O=Cc1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 26514483 RSIXQGMNFIJUOU-UHFFFAOYSA-N 217.184 1.797 5 50 BDBA O=[N+]([O-])c1ccc2nc(C3CCC3)nn2c1 252536210 HWIBLHHWPPMWAE-UHFFFAOYSA-N 218.216 1.905 5 50 BDBA CC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3897285 BRZYMGKDOVQJGX-UHFFFAOYSA-N 225.160 1.461 5 50 BDBA O=[N+]([O-])c1ccc(NCn2cncn2)cc1 8419006 YYNRJTGWZGSZKZ-UHFFFAOYSA-N 219.204 1.256 5 50 BDBA COC(=O)c1cccc([N+](=O)[O-])c1C(=O)OC 40021 MLQMIKSBTAZNBK-UHFFFAOYSA-N 239.183 1.168 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC2)cc1 2737307 SFXOKDPLGLHGIX-UHFFFAOYSA-N 242.256 1.036 5 50 BDBA in-vitro O=C(O)c1[nH]nc2c([N+](=O)[O-])cccc12 21985621 OEVZNTWOQBYJQU-UHFFFAOYSA-N 207.145 1.169 5 50 BDBA in-vitro O=[N+]([O-])c1cc([S@](=O)O)ccc1Cl 25665582 RZTFYZSXSDRAIB-UHFFFAOYSA-N 221.621 1.829 5 50 BDBA O=[N+]([O-])c1ccc2c([N+](=O)[O-])c[nH]c2c1 257540350 GALLHPBFSPUQCE-UHFFFAOYSA-N 207.145 1.984 5 50 BDBA O=C(O)c1cc2c(cc1[N+](=O)[O-])OC(F)(F)O2 1857784198 OTWZQNJRNORXMN-UHFFFAOYSA-N 247.109 1.615 5 50 BDBA O=Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-] 238578342 TXAIWPHTVTXENL-UHFFFAOYSA-N 220.106 1.821 5 50 BDBA COC(=O)[C@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1 12336841 MVYNAWKGJNUDJT-IUCAKERBSA-N 223.184 1.208 5 50 BDBA Nc1nnc(CNc2ccc([N+](=O)[O-])cc2)o1 253430105 PWWBETCMLXTLNP-UHFFFAOYSA-N 235.203 1.172 5 50 BDBA COC(=O)c1cc2cc([N+](=O)[O-])cnc2[nH]1 32915235 WWCIKRATXUMSLS-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA in-vitro COc1cc(N)c(Br)cc1[N+](=O)[O-] 218901944 QTAOAXDJMKPHEB-UHFFFAOYSA-N 247.048 1.948 5 50 BDBA Cc1c(C)[n+]([O-])c(-c2ccc([N+](=O)[O-])cc2)n1O 2492546 JZUZOSVZVJJPQU-UHFFFAOYSA-N 249.226 1.551 5 50 BDBA O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])ccn2)c1 35653942 ULRVNIRBWWMQJT-UHFFFAOYSA-N 246.182 1.960 5 50 BDBA in-vitro CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 207261834 SPWQUIGXXICJDA-UHFFFAOYSA-N 244.272 1.201 5 50 BDBA O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)C=C2 162014 ZRRGOUHITGRLBA-UHFFFAOYSA-N 211.198 1.353 5 50 BDBA in-vitro COC(=O)COc1c(Cl)cccc1[N+](=O)[O-] 1441548 KUYRANCDCIREER-UHFFFAOYSA-N 245.618 1.800 5 50 BDBA CC(=O)Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] 4127896 OFIDOLGSIHMBKD-UHFFFAOYSA-N 239.187 1.770 5 50 BDBA COC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 59488 CVKSEQDWXKMNGP-UHFFFAOYSA-N 249.178 1.488 5 50 BDBA Cc1ccc([N+](=O)[O-])cc1[S@@](=O)O 71773049 RCDAJKSUDFEUGV-UHFFFAOYSA-N 201.203 1.484 5 50 BDBA Cc1cc(N2CCNCC2)ccc1[N+](=O)[O-] 15443359 GVXFGLBTILOVGB-UHFFFAOYSA-N 221.260 1.313 5 50 BDBA O=[N+]([O-])c1ccc(Br)cn1 331611 ATXXLNCPVSUCNK-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA in-vitro CN(C)c1cc(Cl)c2nonc2c1[N+](=O)[O-] 3882519 MSRYQKMMUXBSRT-UHFFFAOYSA-N 242.622 1.850 5 50 BDBA COc1c(OC2COC2)cccc1[N+](=O)[O-] 169725997 FSVVOKSIUZQBTJ-UHFFFAOYSA-N 225.200 1.381 5 50 BDBA O=C(Nc1ncccn1)c1ccc([N+](=O)[O-])cc1 334710 IKQWZJPNAKFNNO-UHFFFAOYSA-N 244.210 1.637 5 50 BDBA Cc1cc(=O)n(Cc2ccon2)cc1[N+](=O)[O-] 225476443 DSXOPVJKOUVIHD-UHFFFAOYSA-N 235.199 1.101 5 50 BDBA O=[N+]([O-])c1cccc(CN2CCC[C@@H](O)C2)c1 4978207 YHQMWNLGTJXJIL-GFCCVEGCSA-N 236.271 1.552 5 50 BDBA CC(=O)NCCCNc1ccc([N+](=O)[O-])cc1 4662946 IJOXQYMHECQMQQ-UHFFFAOYSA-N 237.259 1.533 5 50 BDBA CN(CC(=O)O)Cc1cccc([N+](=O)[O-])c1 35304257 OPQDVFBBFUAJMG-UHFFFAOYSA-N 224.216 1.111 5 50 BDBA CC(C)(C)Nc1ncnc(N)c1[N+](=O)[O-] 3998845 OWVSLQCFWIQBBS-UHFFFAOYSA-N 211.225 1.177 5 50 BDBA CCNc1ccc2nonc2c1[N+](=O)[O-] 4093873 XPVPNXABVMVXPQ-UHFFFAOYSA-N 208.177 1.563 5 50 BDBA O=[N+]([O-])c1ccc(NCCO)c(F)c1 20474790 QFQBBENWEBUOGW-UHFFFAOYSA-N 200.169 1.138 5 50 BDBA in-vitro COCC(=O)Nc1ccc([N+](=O)[O-])cc1 4342204 WTUYBONQHDGSSN-UHFFFAOYSA-N 210.189 1.180 5 50 BDBA COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O 4014514 FIUDEVZDUKTMAC-UHFFFAOYSA-N 231.591 1.740 5 50 BDBA in-vitro C[N+]1(C)CC[C@@H](CC[C@@H]2CC[N+](C)(C)C2)C1 1857799164 PNJJVNBQBMXSOT-ZIAGYGMSSA-N 226.408 1.959 5 50 BDBA O=C(Nc1cccc([N+](=O)[O-])c1)C1CC1 70351 VJRGOUPWHRPYKC-UHFFFAOYSA-N 206.201 1.943 5 50 BDBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 20413916 OEWWQMFPALMWEF-RKDXNWHRSA-N 237.259 1.603 5 50 BDBA COc1ccc([N+](=O)[O-])c(C(OC)OC)c1 15779445 AYVQBIUVXUJHJS-UHFFFAOYSA-N 227.216 1.895 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c2cn[nH]c2c1 14983013 OIJKWHSNBQFGHC-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA in-vitro Cc1ccnc(N(C)Cc2cn[nH]c2)c1[N+](=O)[O-] 952964386 QRXPIXWDHYPZHV-UHFFFAOYSA-N 247.258 1.658 5 50 BDBA O=c1cc[nH]c2c1ccc1c(=O)cc[nH]c12 12341711 SLIBCJURSADKPV-UHFFFAOYSA-N 212.208 1.370 5 50 BDBA in-vitro COc1cc2c(cc1[N+](=O)[O-])O[C@@H](C)C2 4137201 USEPRRGOEDINQZ-LURJTMIESA-N 209.201 1.927 5 50 BDBA O=[N+]([O-])c1ncccc1I 21982002 LOKURQBFRJDSOB-UHFFFAOYSA-N 249.995 1.594 5 50 BDBA O=C1COc2c(cc(Cl)cc2[N+](=O)[O-])N1 30714994 PHVYJBIAHFOQLG-UHFFFAOYSA-N 228.591 1.579 5 50 BDBA in-vitro O=[N+]([O-])C1(Br)CCOCC1 958528834 WFJGLSXATKFWGC-UHFFFAOYSA-N 210.027 1.165 5 50 BDBA O=C(O)c1cc(Cl)ncc1[N+](=O)[O-] 72190670 YIKBSICAFIIUER-UHFFFAOYSA-N 202.553 1.341 5 50 BDBA in-vitro COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1683476 POGCCFLNFPIIGW-UHFFFAOYSA-N 226.144 1.290 5 50 BDBA in-vitro COc1cc(C=O)cc([N+](=O)[O-])c1OC 6667013 NOUWQZZKSKEHCI-UHFFFAOYSA-N 211.173 1.425 5 50 BDBA CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C(=O)O 4343146 BNXDVUXLIGVUFL-UHFFFAOYSA-N 238.199 1.560 5 50 BDBA CCn1ncc(Br)c1[N+](=O)[O-] 95704757 RMXHYDMWCAJQQF-UHFFFAOYSA-N 220.026 1.574 5 50 BDBA O=C(O)c1ncc(Cl)cc1[N+](=O)[O-] 45028240 HKPFKOHEDBKQGE-UHFFFAOYSA-N 202.553 1.341 5 50 BDBA in-vitro O=C1NC(=O)c2cc([N+](=O)[O-])c(Cl)cc21 4284696 ADLVDYMTBOSDFE-UHFFFAOYSA-N 226.575 1.132 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])c(C(C)=O)c1OC 34088898 JTYVOUDOGJPFSJ-UHFFFAOYSA-N 225.200 1.815 5 50 BDBA Nc1cc(Br)cnc1[N+](=O)[O-] 85210423 GOXZJSIRAHNQQG-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro C[N+]1([C@H]2CC[C@H]3CC[C@H]2[C@@H]3O)CCCC1 239432732 WFYRTMMCIGPRMC-FVCCEPFGSA-N 210.341 1.776 5 50 BDBA biogenic CC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 21951846 GHEDOFZBDHZHEP-UHFFFAOYSA-N 249.270 1.207 5 50 BDBA COc1cc([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])c1 4343239 DHLQYRJLNSXMPW-UHFFFAOYSA-N 242.143 1.210 5 50 BDBA CC(=O)Nc1cc(O)c([N+](=O)[O-])cc1Cl 616567952 LQMRAUOCNZMDNH-UHFFFAOYSA-N 230.607 1.912 5 50 BDBA CC(=O)N(CC(=O)O)c1ccc([N+](=O)[O-])cc1 5495302 AIDUVQSRLOCSLR-UHFFFAOYSA-N 238.199 1.032 5 50 BDBA COc1cc(OC)c([N+](=O)[O-])nc1OC 209534 FTGJNBVCCMXXHN-UHFFFAOYSA-N 214.177 1.016 5 50 BDBA COC(=O)Nc1ccc([N+](=O)[O-])cc1OC 4894636 HCCWDPRRDJWNIU-UHFFFAOYSA-N 226.188 1.782 5 50 BDBA COc1cc([N+](=O)[O-])c(OC)cc1CCN 34117197 ZMUSDZGRRJGRAO-UHFFFAOYSA-N 226.232 1.113 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(Br)c(CO)c1 40564488 RICWXZLVFWSRDQ-UHFFFAOYSA-N 232.033 1.850 5 50 BDBA Cc1ccc([N+](=O)[O-])cc1C(=O)C(=O)O 725262029 RYWWBAYXTHXVNI-UHFFFAOYSA-N 209.157 1.171 5 50 BDBA Cc1cccc(C(=O)C(=O)O)c1[N+](=O)[O-] 725261756 FQLLEFPZCFUKJU-UHFFFAOYSA-N 209.157 1.171 5 50 BDBA Cn1c(C=O)nc2cc([N+](=O)[O-])ccc21 84041 CGFYTPXAPAREGN-UHFFFAOYSA-N 205.173 1.294 5 50 BDBA COc1c(C(C)=O)cc(F)cc1[N+](=O)[O-] 2511065 CGXAFFIPBXAFCZ-UHFFFAOYSA-N 213.164 1.945 5 50 BDBA C[C@@H](O)CNc1ccc([N+](=O)[O-])c2ncccc12 4046019 PZVGFZDQRWMZMC-MRVPVSSYSA-N 247.254 1.936 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])ccc1Cl 156878 QUEKGYQTRJVEQC-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(CN2CCSCC2)o1 237598 YFXDINKHFCBJGC-UHFFFAOYSA-N 228.273 1.737 5 50 BDBA COc1nn(Cc2ccccc2)cc1[N+](=O)[O-] 4851660 HMLQBFIFQNVKFN-UHFFFAOYSA-N 233.227 1.848 5 50 BDBA O=C1CSc2ccc([N+](=O)[O-])cc2N1 170587 BALSKAVZBPPKCS-UHFFFAOYSA-N 210.214 1.639 5 50 BDBA O=C1C=CCN1c1ccc([N+](=O)[O-])cc1 4012252 HJXDJONTGXWGBH-UHFFFAOYSA-N 204.185 1.498 5 50 BDBA COc1ccc(C(=O)O)c([N+](=O)[O-])c1OC 1062453 QZYYEGRMWJAHBY-UHFFFAOYSA-N 227.172 1.310 5 50 BDBA O=[N+]([O-])c1cccc(CN2CCC[C@H](O)C2)c1 4978198 YHQMWNLGTJXJIL-LBPRGKRZSA-N 236.271 1.552 5 50 BDBA CC1=C(c2ccc([N+](=O)[O-])cc2)C(=O)OC1 3027948 GEXNQAMOJXONNA-UHFFFAOYSA-N 219.196 1.925 5 50 BDBA O=[N+]([O-])c1cc(Br)cnc1F 21981951 SGDKTJPVCKQTHK-UHFFFAOYSA-N 220.985 1.891 5 50 BDBA in-vitro CN1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1 4016871 HFZHSQQYSJEZPT-UHFFFAOYSA-N 249.270 1.159 5 50 BDBA CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 95495693 LMNQJZKCGQWBHB-UHFFFAOYSA-N 245.256 1.397 5 50 BDBA O=C(O)c1ccc([N+](=O)[O-])c(F)c1F 96028572 MNVKJEDUWUEZEQ-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA in-vitro C[N+](C)(C)Cc1[nH]c2ccccc2c1CCO 4566052 HLEKAZXYYLALOQ-UHFFFAOYSA-N 233.335 1.909 5 50 BDBA COCCOc1cccc(F)c1[N+](=O)[O-] 54268909 SWHNFGFHPPSJAP-UHFFFAOYSA-N 215.180 1.759 5 50 BDBA C=C(C(=O)OC)c1cc(F)ccc1[N+](=O)[O-] 137082331 ZFGGYMKJIHQMJN-UHFFFAOYSA-N 225.175 1.920 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c2[nH]ncc2c1 96035889 VVTDUYFVOYHADF-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA N[C@H]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)CC1 255189623 RDQGLASJCOBMBU-HAQNSBGRSA-N 249.314 1.954 5 50 BDBA C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1cnn(C)c1 273640721 SDIGQXYRDJRERW-ZETCQYMHSA-N 248.246 1.291 5 50 BDBA Nc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 4721727 DJMSRFQEEDIQLX-UHFFFAOYSA-N 217.568 1.739 5 50 BDBA O=[N+]([O-])c1cccc([C@H]2NCCS2)c1 25630247 NIWRAQIFCGUNIT-VIFPVBQESA-N 210.258 1.930 5 50 BDBA C[N+](C)(C)[C@@H]1CCCCCNC(=O)CC1 71786965 ASAMRRFSUKIQSL-LLVKDONJSA-O 213.345 1.532 5 50 BDBA CCOC(=O)COc1cccc([N+](=O)[O-])c1 110786 WFDWBRDIPYEMDO-UHFFFAOYSA-N 225.200 1.537 5 50 BDBA Nc1nc2cc(Cl)c([N+](=O)[O-])cc2o1 71981120 AOHRVJXLCRFILU-UHFFFAOYSA-N 213.580 1.972 5 50 BDBA COC(=O)c1n[nH]c2cc([N+](=O)[O-])ccc12 44184970 BTIPBYPPBACDLK-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA in-vitro Cc1ncsc1CCn1cnc([N+](=O)[O-])n1 170626667 ACVKULOYYNCEKB-UHFFFAOYSA-N 239.260 1.194 5 50 BDBA COC(=O)c1cccc(C(=O)OC)c1[N+](=O)[O-] 38890814 UZMFVOACDBUXRK-UHFFFAOYSA-N 239.183 1.168 5 50 BDBA in-vitro CON(C)C(=O)c1cc([N+](=O)[O-])ccc1F 38103143 RITRIGGYGGCPCO-UHFFFAOYSA-N 228.179 1.367 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(C)cc1F 87331515 GBECACDDVVYBHV-UHFFFAOYSA-N 213.164 1.829 5 50 BDBA COc1ccc(C)cc1Cn1cnc([N+](=O)[O-])n1 33633 VIRQRAPQBMCEKV-UHFFFAOYSA-N 248.242 1.552 5 50 BDBA O=[N+]([O-])c1cc2c(cc1-c1cnco1)OCO2 675083759 PAOBLYASRWHBCC-UHFFFAOYSA-N 234.167 1.979 5 50 BDBA COc1cc(OC)c([N+](=O)[O-])cc1CO 470793 WCLVMRIMKWOZDM-UHFFFAOYSA-N 213.189 1.104 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 1673442 ADTKEYLCJYYHHH-UHFFFAOYSA-N 246.562 1.855 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(CN2CCOCC2)c(F)c1 114851472 JDROXDHWELAGQF-UHFFFAOYSA-N 240.234 1.566 5 50 BDBA Cn1c2ccccc2n2nc3nc[nH]c(=O)c3c12 5813509 HFBMVFGMVBPTAC-UHFFFAOYSA-N 239.238 1.063 5 50 BDBA CCOC(=O)Cc1ccc([N+](=O)[O-])cn1 59979889 PPNKDSUNRAYOAA-UHFFFAOYSA-N 210.189 1.095 5 50 BDBA in-vitro CC(=O)Nc1ccc(C(=O)O)cc1[N+](=O)[O-] 3833955 BRQIMWBIZLRLSV-UHFFFAOYSA-N 224.172 1.251 5 50 BDBA in-vitro CCc1nc(C)cc(-n2ccc([N+](=O)[O-])n2)n1 225818529 IPEKWZUJICOISE-UHFFFAOYSA-N 233.231 1.441 5 50 BDBA CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)O 4777573 ZGQMZVWPCVHENS-UHFFFAOYSA-N 225.200 1.837 5 50 BDBA in-vitro COc1c(OC(C)=O)ccc(C=O)c1[N+](=O)[O-] 1510814 HCFBQKXQWQSMNV-UHFFFAOYSA-N 239.183 1.341 5 50 BDBA Nc1ccc(Br)cc1[N+](=O)[O-] 3852567 ZCWBZRBJSPWUPG-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA biogenic,in-vitro CC(=O)Nc1ccc2[nH]c(C)nc2c1[N+](=O)[O-] 4342969 MGDRVVUNAJFVLH-UHFFFAOYSA-N 234.215 1.738 5 50 BDBA CCOC(=O)CCCn1nc([N+](=O)[O-])cc1C 12395689 UJLLNFCICSHZTM-UHFFFAOYSA-N 241.247 1.443 5 50 BDBA COC(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-] 14985763 KRACQAXEQJJYLE-UHFFFAOYSA-N 225.156 1.080 5 50 BDBA in-vitro CCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1 4014520 OWIVDQQSRJCDPQ-UHFFFAOYSA-N 224.216 1.952 5 50 BDBA CS(=O)(=O)[C@H](N=O)c1cccc([N+](=O)[O-])c1 71780970 WWXHDFDIYHWKEN-QMMMGPOBSA-N 244.228 1.404 5 50 BDBA CCOCCCC(=O)Nc1cc([N+](=O)[O-])n[nH]1 1645305573 NNVQVWQAEJYCIP-UHFFFAOYSA-N 242.235 1.073 5 50 BDBA O=C(NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])o1 300454 MTMKZGCFACTEQN-ZETCQYMHSA-N 240.215 1.097 5 50 BDBA NCCNc1ccc([N+](=O)[O-])c(NC2CC2)c1 4406372 NUOXESICGIOAOT-UHFFFAOYSA-N 236.275 1.540 5 50 BDBA CS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 1729094 XJQWZUJNHLGBQG-UHFFFAOYSA-N 215.230 1.139 5 50 BDBA COc1cc(O)c(Cl)cc1[N+](=O)[O-] 71774070 PQOIXMUHBAYYJM-UHFFFAOYSA-N 203.581 1.962 5 50 BDBA O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1 191482 GQNALVKRKIRGKF-SECBINFHSA-N 224.241 1.456 5 50 BDBA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)O)c1 1680880 GNTARUIZNIWBCN-UHFFFAOYSA-N 237.620 1.495 5 50 BDBA in-vitro CNc1ccc([N+](=O)[O-])cc1C(=O)OC 4774507 XSXPHEWACUOLRW-UHFFFAOYSA-N 210.189 1.423 5 50 BDBA O=C(O)c1nc2ccc([N+](=O)[O-])cc2[nH]1 39018664 GSEMJEXTHJEELQ-UHFFFAOYSA-N 207.145 1.169 5 50 BDBA COc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-] 1583337 VBLDFIFEVZSYAR-UHFFFAOYSA-N 242.143 1.210 5 50 BDBA CCOC(=O)CCc1ccc(O)c([N+](=O)[O-])c1 36532727 MBGHJGVNPBUZSI-UHFFFAOYSA-N 239.227 1.796 5 50 BDBA COC(=O)c1cc(F)cc([N+](=O)[O-])c1C 43220632 QOEAMLSLLJPIRF-UHFFFAOYSA-N 213.164 1.829 5 50 BDBA in-vitro CCOC(=O)Cc1ccc(OC)cc1[N+](=O)[O-] 71602777 NLGHEKVWFIVDMH-UHFFFAOYSA-N 239.227 1.709 5 50 BDBA in-vitro COCC(=O)Nc1ccc([N+](=O)[O-])cc1C 4551217 BSZDKAWXKIJZSS-UHFFFAOYSA-N 224.216 1.488 5 50 BDBA C[C@@H]1SCC[C@@]1(Br)[N+](=O)[O-] 958528921 YPBPQHVJAJYWTH-CRCLSJGQSA-N 226.095 1.880 5 50 BDBA CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] 5050810 PPJISIRRBVDPCT-UHFFFAOYSA-N 223.232 1.516 5 50 BDBA COC(=O)c1cccc(OC)c1[N+](=O)[O-] 133017 FDQQRLPHAAICCR-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA in-vitro Cn1nc([N+](=O)[O-])nc1-n1cnc2ccccc21 456356 HYYZMJFANOZFCX-UHFFFAOYSA-N 244.214 1.062 5 50 BDBA Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 3204695 PUEUDKAZSHKSOZ-UHFFFAOYSA-N 206.161 1.227 5 50 BDBA in-vitro O=C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19430808 WQLZRNROEKCMBN-UHFFFAOYSA-N 234.255 1.760 5 50 BDBA O=[N+]([O-])c1ccc(Br)nc1 331610 HUUFTVUBFFESEN-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA in-vitro Cc1ccc([N+](=O)[O-])c(C)c1NS(C)(=O)=O 130300047 BMVIPXNGYIBBGW-UHFFFAOYSA-N 244.272 1.583 5 50 BDBA CNC(=O)Nc1ccc([N+](=O)[O-])cc1C 4583132 BBGLECYMEVSKCY-UHFFFAOYSA-N 209.205 1.655 5 50 BDBA C[N+](C)(C)CCCCCC[N+](C)(C)C 1530808 VZJFGSRCJCXDSG-UHFFFAOYSA-N 202.386 1.959 5 50 BDBA world O=C(CCc1ccc([N+](=O)[O-])cc1)N1CCC1=O 96503372 HPZJDYSWTVWPDA-UHFFFAOYSA-N 248.238 1.286 5 50 BDBA O=C(O)c1cc(F)c([N+](=O)[O-])cc1F 2580679 GPTNSBLYGCZJQV-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA in-vitro O=C(O)/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 4159479 AZVWYXUTXSTOQY-AATRIKPKSA-N 236.183 1.174 5 50 BDBA Cc1nonc1NC(=O)c1ccccc1[N+](=O)[O-] 309089 CELXAGHPIOZTBU-UHFFFAOYSA-N 248.198 1.539 5 50 BDBA Cc1cccc(Nc2ncnc(N)c2[N+](=O)[O-])n1 4059590 ICRKHNZBRJUJBU-UHFFFAOYSA-N 246.230 1.414 5 50 BDBA CCONC(=O)Nc1ccc([N+](=O)[O-])cc1 5474605 TXQJVMOCUDQZJD-UHFFFAOYSA-N 225.204 1.668 5 50 BDBA O=Cc1ccc([N+](=O)[O-])c(Br)n1 306904111 SXXHLXPPHBKWMJ-UHFFFAOYSA-N 231.005 1.565 5 50 BDBA CCOC(=O)c1cc(OC)ccc1[N+](=O)[O-] 63236500 LAGJXPKDLOTAIS-UHFFFAOYSA-N 225.200 1.780 5 50 BDBA in-vitro Cc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 16945024 VZHXAPYAFDFUSD-UHFFFAOYSA-N 205.173 1.140 5 50 BDBA CC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1646252 PMFSLPQSSSQGLA-UHFFFAOYSA-N 224.172 1.635 5 50 BDBA O=[N+]([O-])c1cc[n+]([O-])c(-c2ccccn2)c1 2169881 TXORGAZSDCKPSN-UHFFFAOYSA-N 217.184 1.290 5 50 BDBA O=C(O)c1cc(F)c([N+](=O)[O-])c(F)c1 40442437 CUDACLYZECMWDR-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](O)C1 595301967 HNPSIENKJMXVRU-SNVBAGLBSA-N 240.234 1.301 5 50 BDBA C[C@@H]([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-] 167803 FCWYFQGGRBDNRW-RCOVLWMOSA-N 207.185 1.563 5 50 BDBA in-vitro Cc1c(Br)c[nH]c(=O)c1[N+](=O)[O-] 12471384 QXPNHVCGSASGIX-UHFFFAOYSA-N 233.021 1.354 5 50 BDBA in-vitro C[C@@H]1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1 3912642 FMGIVLIHJCQPJM-SSDOTTSWSA-N 237.263 1.203 5 50 BDBA CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 3884151 UWZIHNDVFUJRHD-UHFFFAOYSA-N 239.250 1.486 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(CSC[C@@H](O)CO)cc1 86660307 BJEPXDAZPNBFRN-JTQLQIEISA-N 243.284 1.181 5 50 BDBA C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccnn1C 866252360 XYJNLDPEFYONFZ-SSDOTTSWSA-N 248.246 1.291 5 50 BDBA Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21 3086168 FYLDFVUYAHNIOM-UHFFFAOYSA-N 204.185 1.447 5 50 BDBA COc1c(C(=O)O)cc(C)cc1[N+](=O)[O-] 57339084 KJPNRXSFTKTXSH-UHFFFAOYSA-N 211.173 1.610 5 50 BDBA CCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 261493757 IRBMPNYJKOKJFO-UHFFFAOYSA-N 238.243 1.830 5 50 BDBA Cc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 4783140 HUMQVESBHAREIH-UHFFFAOYSA-N 244.272 1.154 5 50 BDBA O=C(O)c1cc(-c2ccccc2[N+](=O)[O-])on1 89064131 MMLOMUSIMLNSCH-UHFFFAOYSA-N 234.167 1.948 5 50 BDBA in-vitro CCOC(=O)CNc1ccccc1[N+](=O)[O-] 4366461 GDBQBQLTUSNRBO-UHFFFAOYSA-N 224.216 1.570 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(Cl)c(N2CCNCC2)c1 36169 MXEGLLSIGXCAKD-UHFFFAOYSA-N 241.678 1.658 5 50 BDBA COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1 987859 BRPREIDVQXJOJH-UHFFFAOYSA-N 216.580 1.430 5 50 BDBA CNc1c([N+](=O)[O-])cnn1-c1ccccc1 5209362 REYHJCKWRDAVIS-UHFFFAOYSA-N 218.216 1.822 5 50 BDBA COc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1 3885906 ZHWGRLDBELYMCJ-UHFFFAOYSA-N 248.194 1.033 5 50 BDBA O=[N+]([O-])c1ccccc1NC1CCNCC1 6661579 JFDLNTWOJUPVTD-UHFFFAOYSA-N 221.260 1.759 5 50 BDBA O=C(O)/C=C/c1cc(F)c(F)c([N+](=O)[O-])c1 263623124 DVPJSCMSOZBGOV-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA Cc1cc(N(C)Cc2cn[nH]c2)ncc1[N+](=O)[O-] 952964108 PFCGZWXTHYUDCV-UHFFFAOYSA-N 247.258 1.658 5 50 BDBA O=C(CCCn1cc([N+](=O)[O-])cn1)n1cccn1 1422048 FVNBWSHBILAXDA-UHFFFAOYSA-N 249.230 1.108 5 50 BDBA Cc1nn(CCCF)c(C)c1[N+](=O)[O-] 5921320 JXZLBDXVTWNJAG-UHFFFAOYSA-N 201.201 1.768 5 50 BDBA CS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 153767 OUSNDSFSTBZESM-UHFFFAOYSA-N 219.193 1.137 5 50 BDBA in-vitro O=[N+]([O-])c1c(F)cc(F)c([N+](=O)[O-])c1F 1706141 CJMQRMFXSRLCQI-UHFFFAOYSA-N 222.078 1.920 5 50 BDBA O=[N+]([O-])c1ncn(Cc2ccc(Cl)cc2)n1 614339 IMYZTYPCBUTFAM-UHFFFAOYSA-N 238.634 1.888 5 50 BDBA CC(C)[C@@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O 58235302 UBWNWQCPTMSACN-JTQLQIEISA-N 236.227 1.950 5 50 BDBA O=C(Nc1ncc([N+](=O)[O-])s1)c1ccco1 5581141 BJDSHDHLPAZHLV-UHFFFAOYSA-N 239.212 1.897 5 50 BDBA CCCn1c(C(=O)O)cc([N+](=O)[O-])c1C 337388 CHNVWOWPXOEEMR-UHFFFAOYSA-N 212.205 1.813 5 50 BDBA COc1ccc([N+](=O)[O-])c(CC(C)=O)c1F 44560075 VGDKNHRINLDMIS-UHFFFAOYSA-N 227.191 1.874 5 50 BDBA O=Cc1cc([N+](=O)[O-])ccc1SCC(=O)O 16385767 XJFXOVVNBRHSNX-UHFFFAOYSA-N 241.224 1.584 5 50 BDBA O=C(Cn1ccc([N+](=O)[O-])n1)c1ccccc1 49629 USTHVNSOBXSHJI-UHFFFAOYSA-N 231.211 1.674 5 50 BDBA NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F 4183284 QSTTWRJQEXVTBF-UHFFFAOYSA-N 249.192 1.984 5 50 BDBA O=[N+]([O-])c1cc(F)c(F)cc1[N+](=O)[O-] 4557305 XOAAAPHKZDETSB-UHFFFAOYSA-N 204.088 1.781 5 50 BDBA COC(=O)c1cc(-c2ccccc2[N+](=O)[O-])[nH]n1 514251122 JNWUYQPILCTXGQ-UHFFFAOYSA-N 247.210 1.772 5 50 BDBA COc1cc([N+](=O)[O-])c(C=O)c([N+](=O)[O-])c1O 3132165 PGHGLHGQSJXFCY-UHFFFAOYSA-N 242.143 1.030 5 50 BDBA Cc1cnc(CNc2ncc([N+](=O)[O-])cc2C)[nH]1 585132792 WFXZVVRVHBQMFI-UHFFFAOYSA-N 247.258 1.942 5 50 BDBA Cc1ccc(OCC(=O)O)c([N+](=O)[O-])c1 2526122 AWGKCXXVJHRDRK-UHFFFAOYSA-N 211.173 1.367 5 50 BDBA Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1C 71773866 VRMCHSHXUPCVRI-UHFFFAOYSA-N 219.200 1.150 5 50 BDBA CCOC(=O)c1ccc(OC)cc1[N+](=O)[O-] 346099 XGOZJLFMEMBMRT-UHFFFAOYSA-N 225.200 1.780 5 50 BDBA in-vitro CC(=O)C[C@H](O)c1ccccc1[N+](=O)[O-] 3136830 QLWGGIGZONFVIO-JTQLQIEISA-N 209.201 1.607 5 50 BDBA O=[N+]([O-])c1ccc(N2CC(F)(F)C2)nc1 115234751 YSTMHIXCNQODKK-UHFFFAOYSA-N 215.159 1.445 5 50 BDBA COC(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 6844764 LJMPXVKLAYAYAI-MRVPVSSYSA-N 239.227 1.844 5 50 BDBA CN1CC2CC1(CNc1ccc([N+](=O)[O-])cn1)C2 1775992680 UVRNAXVHBWBHDM-UHFFFAOYSA-N 248.286 1.496 5 50 BDBA O=C(O)c1cccc([N+](=O)[O-])c1Cl 156414 JRQDVRIQJJPHEQ-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5456463 WUXQBMBXNPOUJM-UHFFFAOYSA-N 239.187 1.253 5 50 BDBA CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 4776638 RVKAYYRPBXZIII-UHFFFAOYSA-N 209.205 1.736 5 50 BDBA N[C@@H](CC(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 32222701 FWKPRIDXTRTCLJ-ZETCQYMHSA-N 244.634 1.723 5 50 BDBA O=C(O)/C=C/c1cc([N+](=O)[O-])c(F)cc1F 263623725 KDAPVYGPMBWFCD-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA CCOC(=N)c1ccc(N)c([N+](=O)[O-])c1 116501070 HDZBKBNXWMLBKK-UHFFFAOYSA-N 209.205 1.539 5 50 BDBA in-vitro O=[N+]([O-])c1cc(CN2CCOCC2)ccc1O 4986093 PSSNASKHKQDHFP-UHFFFAOYSA-N 238.243 1.133 5 50 BDBA Cc1nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2o1 59465415 NWSPVBZIROIWHD-UHFFFAOYSA-N 223.144 1.953 5 50 BDBA C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])C(=O)O 2325854053 MFKALKZBGFEQIK-RXMQYKEDSA-N 243.194 1.262 5 50 BDBA Cn1cnc(CNCc2cccc([N+](=O)[O-])c2)c1 311141606 TZFOKLLLVVFFPT-UHFFFAOYSA-N 246.270 1.618 5 50 BDBA Nc1c(Br)ccnc1[N+](=O)[O-] 98210267 CCDDSQWYJJNCGY-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA O=C1CC[C@H](CNc2ncccc2[N+](=O)[O-])O1 585092578 FRDVFADSDODUMY-SSDOTTSWSA-N 237.215 1.107 5 50 BDBA O=[N+]([O-])c1ccc(OC2CCNCC2)cc1 2527213 JAHDECSRUJTQCB-UHFFFAOYSA-N 222.244 1.726 5 50 BDBA in-vitro CCn1c(=O)n(CC)c2cc([N+](=O)[O-])ccc21 87290 LHKZIUFTPWMHKX-UHFFFAOYSA-N 235.243 1.751 5 50 BDBA O=[N+]([O-])c1ccccc1CN1CCNCC1 239623 AMMRJTDWARUWQZ-UHFFFAOYSA-N 221.260 1.000 5 50 BDBA O=[N+]([O-])c1cccc(-c2nnc(O)o2)c1 39284294 MVNRZPOCXZUMNP-UHFFFAOYSA-N 207.145 1.350 5 50 BDBA O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1 32337 DFXQXFGFOLXAPO-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro CC(C)(C(=O)O)c1ccccc1[N+](=O)[O-] 32202227 MBYUEHBQZXQBKX-UHFFFAOYSA-N 209.201 1.957 5 50 BDBA in-vitro CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4255805 HJFZYZBHIAWDEO-UHFFFAOYSA-N 211.177 1.569 5 50 BDBA in-vitro O=[N+]([O-])c1ccsc1C[n+]1ccccc1 334366 VTQRXMNBPRCIAJ-UHFFFAOYSA-N 221.261 1.992 5 50 BDBA COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1OC 71267 PEPYBEJQAIGLRE-SNAWJCMRSA-N 239.227 1.960 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 3132411 ISOMVMHVOAAAJX-UHFFFAOYSA-N 240.171 1.598 5 50 BDBA in-vitro O=C1CCC(=O)N1c1ccc([N+](=O)[O-])cc1 4269477 KJFHJBSRNHCDIF-UHFFFAOYSA-N 220.184 1.248 5 50 BDBA in-vitro CCOCCNc1ncccc1[N+](=O)[O-] 34726832 MAVUIPAFSAUNBZ-UHFFFAOYSA-N 211.221 1.438 5 50 BDBA in-vitro COc1cc2c(cc1[N+](=O)[O-])CCNC2 97757528 XWTZUMUHDLXXER-UHFFFAOYSA-N 208.217 1.249 5 50 BDBA Cc1cc(=O)oc2c1c(=O)[nH]c1ccccc12 88281 FEXCPFKJRNXTEB-UHFFFAOYSA-N 227.219 1.943 5 50 BDBA CCS(=O)(=O)c1ccccc1[N+](=O)[O-] 95495688 PMKYHQJHNPJUGQ-UHFFFAOYSA-N 215.230 1.388 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(C2[N@]3CCC[N@@]23)cc1 1857524966 HSYQQZRQUXJBPH-RYUDHWBXSA-N 205.217 1.530 5 50 BDBA Cc1c([N+](=O)[O-])cnc(N)c1Br 19943184 ZIVNKACVCVSAEO-UHFFFAOYSA-N 232.037 1.643 5 50 BDBA O=[N+]([O-])c1ccc(CN2CCOCC2)cc1 19229522 KNTGXGBOYZAKTA-UHFFFAOYSA-N 222.244 1.427 5 50 BDBA in-vitro O=[N+]([O-])c1cnccc1Nc1cccc[n+]1[O-] 4086630 OKUFBKSPEIVLGW-UHFFFAOYSA-N 232.199 1.367 5 50 BDBA CC(C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 539 UAORFCGRZIGNCI-LLVKDONJSA-N 224.260 1.626 5 50 BDBA in-man O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CCCS1 1634604585 USWLUGGPXBZSQP-RXMQYKEDSA-N 242.260 1.152 5 50 BDBA O=C(O)c1ncn(Cc2ccccc2)c1[N+](=O)[O-] 2539965 AOEZXACMKKLMIY-UHFFFAOYSA-N 247.210 1.538 5 50 BDBA Nc1cc2nc3ccccc3oc-2cc1=O 4095812 RDJXPXHQENRCNG-UHFFFAOYSA-N 212.208 1.875 5 50 BDBA endogenous,in-man Cc1cc([N+](=O)[O-])ccc1N1C(=O)C=CC1=O 4174019 TVIXIDJRNIVCQZ-UHFFFAOYSA-N 232.195 1.333 5 50 BDBA CNC(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 3069975 VQRQIBOJMSTZJT-UHFFFAOYSA-N 246.226 1.140 5 50 BDBA Nc1ccc([N+](=O)[O-])c(N)c1C(F)(F)F 95828976 KASLVFUMBDUPCY-UHFFFAOYSA-N 221.138 1.778 5 50 BDBA in-vitro Cc1ccc2[nH]c(=N)sc2c1[N+](=O)[O-] 2134791422 OPIGSJNJRUDUOW-UHFFFAOYSA-N 209.230 1.925 5 50 BDBA C[N+](C)(C)C1CC2CC([N+](C)(C)C)CC2C1 205225732 RNCVXAUHJHLMJE-UHFFFAOYSA-N 226.408 1.956 5 50 BDBA O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] 2164727 HKKWSIQQYJTJLW-UHFFFAOYSA-N 212.117 1.201 5 50 BDBA in-vitro O=C(O)CCCOc1ccc([N+](=O)[O-])cc1 2812253 SZZXOFHUMXKGCV-UHFFFAOYSA-N 225.200 1.838 5 50 BDBA O=C(O)/C(S)=C/c1ccccc1[N+](=O)[O-] 100440756 FPWYECZNLFRQEO-YVMONPNESA-N 225.225 1.950 5 50 BDBA N[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])CC1 255189633 RFBCQPCYUKMYMY-HAQNSBGRSA-N 249.314 1.954 5 50 BDBA O=C(O)c1ncc([N+](=O)[O-])cc1Cl 79058057 BNPDDLSKUUEFAA-UHFFFAOYSA-N 202.553 1.341 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(OCCNC2CC2)cc1 20525202 OLWUWJKKLWGYFD-UHFFFAOYSA-N 222.244 1.726 5 50 BDBA in-vitro Nc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 4237527 UTUMMZUJYKIHOB-UHFFFAOYSA-N 204.189 1.567 5 50 BDBA in-vitro C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccn(C)n1 1307137926 AGKLUKBLNHMKGX-ZETCQYMHSA-N 248.246 1.291 5 50 BDBA CC(=O)CC(=O)Nc1cccc([N+](=O)[O-])c1 449450 KQAQKCOLRNMYFK-UHFFFAOYSA-N 222.200 1.512 5 50 BDBA in-vitro C[C@@H](O)c1cc2c(cc1[N+](=O)[O-])OCO2 34569110 UHJMDARCOIYCHL-RXMQYKEDSA-N 211.173 1.377 5 50 BDBA in-vitro O=C(O)c1cc(Br)ncc1[N+](=O)[O-] 35269651 YISYYAZCRUHFBZ-UHFFFAOYSA-N 247.004 1.451 5 50 BDBA in-vitro CCc1ccc(C(=O)OC)cc1[N+](=O)[O-] 35333551 YAGPCEXMZGXMLN-UHFFFAOYSA-N 209.201 1.944 5 50 BDBA in-vitro CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 4612743 SYRNFCTUTWHXPO-UHFFFAOYSA-N 236.275 1.132 5 50 BDBA C[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O 40377462 CWZLOWGUBYYQFV-SSDOTTSWSA-N 209.201 1.858 5 50 BDBA Nc1nnc(-c2ccccc2[N+](=O)[O-])o1 104411 JVORYYXVRXHXMK-UHFFFAOYSA-N 206.161 1.227 5 50 BDBA CC(C)(C)OC(=O)N1CC[C@@H]([N+](=O)[O-])C1 75824219 QDLAHUFDHRJWOE-SSDOTTSWSA-N 216.237 1.273 5 50 BDBA in-vitro O=[N+]([O-])c1cccnc1N1CCC(F)(F)C1 169725764 KMNCCNUHBMTODK-UHFFFAOYSA-N 229.186 1.835 5 50 BDBA CCOC(=O)c1ccc(F)c([N+](=O)[O-])c1 2585983 YONVBKVUSUGBQR-UHFFFAOYSA-N 213.164 1.911 5 50 BDBA in-vitro O=[N+]([O-])[C@]1(Br)CN2CCC1CC2 958528498 PAJOIGZOBYRAIQ-SSDOTTSWSA-N 235.081 1.080 5 50 BDBA CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 2814584 CJCQWDHRTPGELY-UHFFFAOYSA-N 224.216 1.952 5 50 BDBA O=C(Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCCO1 4459610 HQJCQJRUKQPOMY-QMMMGPOBSA-N 237.215 1.107 5 50 BDBA CC(C)(C)OC(=O)n1cc([N+](=O)[O-])cn1 114363048 WMGSNCNRVFCPBP-UHFFFAOYSA-N 213.193 1.575 5 50 BDBA Nc1nccc(Br)c1[N+](=O)[O-] 39377294 WCHFLLNYYVWJEI-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro CCn1cc([N+](=O)[O-])cc(Br)c1=O 330973 DWIAFJLCBYNTHL-UHFFFAOYSA-N 247.048 1.539 5 50 BDBA COc1ccc(NCCO)cc1[N+](=O)[O-] 34300997 BGANLZMZHWJPFY-UHFFFAOYSA-N 212.205 1.008 5 50 BDBA in-vitro Nc1nc(=O)c2cc3ccccc3cc2[nH]1 144185452 IFBGAMXFAYZTEC-UHFFFAOYSA-N 211.224 1.659 5 50 BDBA O=Cc1c(N2CC(F)(F)C2)cccc1[N+](=O)[O-] 169725219 NYZOKHKBRUIQEO-UHFFFAOYSA-N 242.181 1.863 5 50 BDBA COc1cc(CC(=O)O)c([N+](=O)[O-])cc1OC 137205 WJPMJFUEMVXUCV-UHFFFAOYSA-N 241.199 1.239 5 50 BDBA biogenic,in-vitro COc1cc([N+](=O)[O-])c(C=O)c(OC)c1OC 21299572 BARDBXITMSPPQC-UHFFFAOYSA-N 241.199 1.433 5 50 BDBA O=[N+]([O-])c1ccc(-c2cc(CO)on2)cc1 75513880 CQRBUCNIAWIELB-UHFFFAOYSA-N 220.184 1.742 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(F)c1N1CCCNCC1 203742495 OAAZDZZLZTVHJS-UHFFFAOYSA-N 239.250 1.534 5 50 BDBA O=CNc1ccc(Cl)c([N+](=O)[O-])c1 2168021 WMVQMLBGGZYWSR-UHFFFAOYSA-N 200.581 1.817 5 50 BDBA CC(C)OC(=O)c1ccc([N+](=O)[O-])c(N)c1 261494316 UVJOQXKBXASHPB-UHFFFAOYSA-N 224.216 1.742 5 50 BDBA O=C(O)CCC(=O)c1cccc([N+](=O)[O-])c1 345355 VNDVLOPITGDGOG-UHFFFAOYSA-N 223.184 1.642 5 50 BDBA in-vitro Cc1noc(-c2cccc([N+](=O)[O-])c2)n1 15809974 XXKKFKQALFBXHQ-UHFFFAOYSA-N 205.173 1.953 5 50 BDBA O=C(O)c1ccccc1Cn1cc([N+](=O)[O-])cn1 2536940 VZAQMWCFGKUZAB-UHFFFAOYSA-N 247.210 1.538 5 50 BDBA O=[N+]([O-])[C@@H]1CCC[C@@H]2[C@H]1CCC[C@H]2[N+](=O)[O-] 3132699 QTKVEILORHUNPS-ZYUZMQFOSA-N 228.248 1.877 5 50 BDBA O=C(O)C(=O)c1cc(F)c([N+](=O)[O-])cc1F 725262126 XVJYRBGTSHAMSE-UHFFFAOYSA-N 231.110 1.140 5 50 BDBA Cc1noc(=O)n1Cc1ccccc1[N+](=O)[O-] 1875391339 NKKJXEOGIPERNE-UHFFFAOYSA-N 235.199 1.101 5 50 BDBA Cc1cc(C(=O)O)cc(C(=O)O)c1[N+](=O)[O-] 3080795 QCUHINJCSXMPBP-UHFFFAOYSA-N 225.156 1.300 5 50 BDBA O=C1NC2(CCC2)Nc2ccc([N+](=O)[O-])cc21 90661417 PGSURDWUMJXDOU-UHFFFAOYSA-N 233.227 1.630 5 50 BDBA in-vitro C[C@H](O)c1cc2c(cc1[N+](=O)[O-])OCCO2 4724810 PXTHUXPHCMNTOB-LURJTMIESA-N 225.200 1.419 5 50 BDBA O=[N+]([O-])c1cccc(Br)c1CO 54962322 QLLXWADSIGOEQZ-UHFFFAOYSA-N 232.033 1.850 5 50 BDBA in-vitro CC(=O)Cc1c([N+](=O)[O-])ccc(O)c1F 31777100 IPRZVDNMKMONNN-UHFFFAOYSA-N 213.164 1.571 5 50 BDBA in-vitro Nc1cc(NCCCC(=O)O)ccc1[N+](=O)[O-] 5390763 BSYFYFNFJAQSEL-UHFFFAOYSA-N 239.231 1.454 5 50 BDBA O=[N+]([O-])c1ccc(OC2CCNCC2)c(F)c1 8698530 HQBSUDYWDONGAE-UHFFFAOYSA-N 240.234 1.865 5 50 BDBA in-vitro C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccon1 354562534 ADEBNYRKVWFVSE-ZCFIWIBFSA-N 235.203 1.546 5 50 BDBA CC(C)([N+](=O)[O-])C1([N+](=O)[O-])CCCC1 2141624 NTGVQQDMAOJXMF-UHFFFAOYSA-N 202.210 1.631 5 50 BDBA O=C(O)c1cc(F)cc(O)c1[N+](=O)[O-] 95628790 QJSNLFIKMCRDPW-UHFFFAOYSA-N 201.109 1.138 5 50 BDBA in-vitro C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)O 371757 MALMTWYTOBLCBT-ZCFIWIBFSA-N 211.173 1.447 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(COn2ccnc2)cc1 1405633 MFADXKNVDJROIG-UHFFFAOYSA-N 219.200 1.420 5 50 BDBA CC(=O)c1nc2cc([N+](=O)[O-])ccc2n1C 292960 OZADMKPJFCFNAD-UHFFFAOYSA-N 219.200 1.684 5 50 BDBA NC(=O)c1cc([N+](=O)[O-])ccc1Br 2379198 KQSFFJRDGVAPPI-UHFFFAOYSA-N 245.032 1.456 5 50 BDBA N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1 3029815 HFOPNBSWGQRWBY-HYXAFXHYSA-N 239.212 1.326 5 50 BDBA O=C(O)c1ccc(Cl)c(O)c1[N+](=O)[O-] 39348572 HNZHKXQMZSQKOI-UHFFFAOYSA-N 217.564 1.652 5 50 BDBA O=C(O)COc1ccc(Cl)cc1[N+](=O)[O-] 112247 JYCUJLCLZHPKMS-UHFFFAOYSA-N 231.591 1.712 5 50 BDBA in-vitro O=C(O)c1cc(=O)c2cc([N+](=O)[O-])ccc2[nH]1 39961 KQFRZQHCZNAUOS-UHFFFAOYSA-N 234.167 1.135 5 50 BDBA in-vitro CC(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 3132624 KVSMDNHFSHTGMP-UHFFFAOYSA-N 229.257 1.777 5 50 BDBA O=C(NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 3447998 RKFVGHWZEUZDGO-UHFFFAOYSA-N 248.160 1.887 5 50 BDBA CCOC(=O)c1cc([N+](=O)[O-])ccc1N 4822001 AMLDNINFPSEDHZ-UHFFFAOYSA-N 210.189 1.354 5 50 BDBA CN(C)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 38536906 NBTMKDLBIDZGEU-UHFFFAOYSA-N 237.259 1.363 5 50 BDBA O=C1C=CC(=O)N1c1cc([N+](=O)[O-])ccc1F 178602 QKTMKNLRVMNCGW-UHFFFAOYSA-N 236.158 1.163 5 50 BDBA O=[N+]([O-])c1ccc(CN2CCC[C@H](O)C2)cc1 238635 JZGUMNUJINRTOF-LBPRGKRZSA-N 236.271 1.552 5 50 BDBA CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 488399 PKDUVHDAPLRJMS-UHFFFAOYSA-N 247.254 1.755 5 50 BDBA biogenic,in-vitro O=C(O)c1ccc2c([N+](=O)[O-])cccc2n1 1680864 PHELEJSJZGCLEJ-UHFFFAOYSA-N 218.168 1.841 5 50 BDBA Nc1c(N)c2cccnc2c2ncccc12 66340191 MNXMBMNXSPNINS-UHFFFAOYSA-N 210.240 1.947 5 50 BDBA CNc1cc(Br)ncc1[N+](=O)[O-] 95704943 DVJXGNPUDMVFRQ-UHFFFAOYSA-N 232.037 1.794 5 50 BDBA in-vitro O=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1 18052322 DNSRMBHWRSZMRZ-UHFFFAOYSA-N 217.184 1.797 5 50 BDBA in-vitro O=[N+]([O-])c1cnn(-c2ccc(F)cc2)c1 216722482 UNNJNIXXDITIQR-UHFFFAOYSA-N 207.164 1.920 5 50 BDBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 45885976 DUUNJNHSMBYVAY-UHFFFAOYSA-N 235.287 1.655 5 50 BDBA COC(=O)Cc1cc([N+](=O)[O-])cc(F)c1F 263625332 YWBUTWWXSORXHU-UHFFFAOYSA-N 231.154 1.589 5 50 BDBA O=C1CCCC(=O)N1c1cccc([N+](=O)[O-])c1 3086190 FOTPIIAJYGIISN-UHFFFAOYSA-N 234.211 1.638 5 50 BDBA C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CO1 4529443 PUBTVFBOTFDPTA-NSHDSACASA-N 237.211 1.541 5 50 BDBA CC1(C)CN(c2ccc([N+](=O)[O-])cc2)C1=O 5303190 KECXZFGDKLVXED-UHFFFAOYSA-N 220.228 1.968 5 50 BDBA O=c1nc(/C=C/c2ccc([N+](=O)[O-])cc2)cc[nH]1 6188166 NIOOUGOHUNVWPL-DAFODLJHSA-N 243.222 1.849 5 50 BDBA C[C@@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O 11691854 KBLXGQKTRWROCS-YFKPBYRVSA-N 208.173 1.314 5 50 BDBA in-vitro O=C(O)c1cc([N+](=O)[O-])cc2cn[nH]c12 1238573 NQJHZWSGEIJEDP-UHFFFAOYSA-N 207.145 1.169 5 50 BDBA in-vitro CSc1nc(N)c([N+](=O)[O-])c(Cl)n1 34406023 PGVATALNXUVGED-UHFFFAOYSA-N 220.641 1.342 5 50 BDBA O=C(OC[C@@H]1CO1)c1ccc([N+](=O)[O-])cc1 2539401 MUWIANZPEBMVHH-VIFPVBQESA-N 223.184 1.150 5 50 BDBA O=[N+]([O-])c1cccnc1N1CCSC1 169725765 OWLVRYNACRUOIE-UHFFFAOYSA-N 211.246 1.501 5 50 BDBA C[C@@H](O)c1cc2c(cc1[N+](=O)[O-])OCCO2 4724812 PXTHUXPHCMNTOB-ZCFIWIBFSA-N 225.200 1.419 5 50 BDBA O=[N+]([O-])c1ccnc(-c2cccc[n+]2[O-])c1 2169879 IEUGYFUVBQOHIZ-UHFFFAOYSA-N 217.184 1.290 5 50 BDBA COC1(C)CN(c2ccc([N+](=O)[O-])nc2)C1 428152333 RRCFOTYCBZUPOW-UHFFFAOYSA-N 223.232 1.215 5 50 BDBA O=[N+]([O-])c1ccc(C(F)(F)F)nc1O 34431135 CHBZJFQSBBRGKS-UHFFFAOYSA-N 208.095 1.714 5 50 BDBA COc1cc(N2CC[C@@H](O)C2)ccc1[N+](=O)[O-] 74929919 IRPVQBHMMZEOMC-SECBINFHSA-N 238.243 1.174 5 50 BDBA CCCn1nc([N+](=O)[O-])cc1C(=O)OCC 12399016 SGDUBQLDMMIJCC-UHFFFAOYSA-N 227.220 1.378 5 50 BDBA CCOC(=O)[C@H](C)CC(C)(C)[N+](=O)[O-] 2141627 ZYITYBRNICMCRU-SSDOTTSWSA-N 203.238 1.631 5 50 BDBA CC[C@](C)([N+](=O)[O-])[C@@](C)(CC)[N+](=O)[O-] 2173705 GVEMMQMBSPOZFY-OCAPTIKFSA-N 204.226 1.877 5 50 BDBA CCOC(=O)c1cn2cc([N+](=O)[O-])ccc2n1 2563817 XOXFLWMGZPJKAF-UHFFFAOYSA-N 235.199 1.419 5 50 BDBA COc1ccc([C@@H](C[N+](=O)[O-])OC)cc1OC 2170187 SDEXXXYTUGUWOT-LLVKDONJSA-N 241.243 1.668 5 50 BDBA Cc1nn(CCCC(=O)O)c(C)c1[N+](=O)[O-] 2492126 OKRDHPPYUAMLIR-UHFFFAOYSA-N 227.220 1.273 5 50 BDBA Nc1ncnc(Nc2cccc(F)c2)c1[N+](=O)[O-] 3912552 OYDCIXKPLJBJQV-UHFFFAOYSA-N 249.205 1.850 5 50 BDBA Cc1ncc([N+](=O)[O-])n1CC(=O)NC(C)(C)C 794805 ZUOQBWDJCAOCDO-UHFFFAOYSA-N 240.263 1.014 5 50 BDBA O=[N+]([O-])c1cc(O)ccc1NCCCO 22002152 VTXBLQLZQLHDIL-UHFFFAOYSA-N 212.205 1.095 5 50 BDBA COc1c(Br)cncc1[N+](=O)[O-] 66327854 UIQZXGXNJIZTOQ-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA in-vitro COc1ccc(CC(=O)O)cc1[N+](=O)[O-] 3750873 GYXAPUUDUHBTSB-UHFFFAOYSA-N 211.173 1.231 5 50 BDBA in-vitro O=[N+]([O-])c1cccnc1Sc1ncn[nH]1 5757120 RYWUKFAXVSVNFV-UHFFFAOYSA-N 223.217 1.259 5 50 BDBA Nc1ccc(Br)c([N+](=O)[O-])c1 2379297 PITHQPMZWKZGRZ-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA in-vitro O=C(O)Cc1cc(F)c([N+](=O)[O-])cc1F 145705602 TVRVWDBXMJDAKV-UHFFFAOYSA-N 217.127 1.500 5 50 BDBA in-vitro COC(=O)c1cc([N+](=O)[O-])ccc1OC 2568109 DOBFJVVTBNTGCW-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA in-vitro Cn1cnnc1-c1cccc([N+](=O)[O-])c1 124794 QXWWRCQULISQCV-UHFFFAOYSA-N 204.189 1.390 5 50 BDBA CC(=O)c1cnc2c([N+](=O)[O-])cnn2c1C 4820847 SWKUQGPZHZEQJV-UHFFFAOYSA-N 220.188 1.149 5 50 BDBA C[N+]1(C)[C@H]2COC[C@H]1CC(O)(c1ccccc1)C2 101043150 KDXXRMZSQOBKCE-ZIAGYGMSSA-N 248.346 1.512 5 50 BDBA COC[C@@H](O)CNc1cccc(C)c1[N+](=O)[O-] 170602857 AMLIZLMIOPEETO-VIFPVBQESA-N 240.259 1.322 5 50 BDBA CON(C)C(=O)c1cccc([N+](=O)[O-])c1 47219221 NVLIYGJVRHHHQN-UHFFFAOYSA-N 210.189 1.228 5 50 BDBA Cc1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-] 4004630 LHUDCVLOZNVKOS-UHFFFAOYSA-N 240.234 1.879 5 50 BDBA CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 16183387 HPCYANYWTUCLMH-UHFFFAOYSA-N 210.189 1.354 5 50 BDBA in-vitro COc1cc(Cl)c([N+](=O)[O-])cc1C(=O)O 39311715 RSBXOVZBSUWTCT-UHFFFAOYSA-N 231.591 1.955 5 50 BDBA in-vitro CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] 5194799 JJDONAVASZMYRM-UHFFFAOYSA-N 209.205 1.126 5 50 BDBA C[C@@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 162659565 MOCVJGILWDNEAU-RKDXNWHRSA-N 237.259 1.197 5 50 BDBA O=C(NCC(F)F)c1ccc([N+](=O)[O-])cc1O 170599192 AJIMJARFLOEBHU-UHFFFAOYSA-N 246.169 1.295 5 50 BDBA COCCCNC(=O)c1ccc([N+](=O)[O-])cc1 2870874 COMGTTCZMUGTCZ-UHFFFAOYSA-N 238.243 1.361 5 50 BDBA O=c1[nH]cccc1-c1ccc([N+](=O)[O-])cc1 74938347 OORAHBMLSYDCDV-UHFFFAOYSA-N 216.196 1.950 5 50 BDBA O=[N+]([O-])c1ccc(SC[C@@H](O)CO)c(F)c1 86659959 HMBKICHTQFZGDI-ZETCQYMHSA-N 247.247 1.179 5 50 BDBA CC[C@H](C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 12493697 IHCPDBBYTYJYIL-VHSXEESVSA-O 246.327 1.125 5 50 BDBA endogenous,in-man O=[N+]([O-])c1cc([N+](=O)[O-])c(F)cc1F 1706147 VILFTWLXLYIEMV-UHFFFAOYSA-N 204.088 1.781 5 50 BDBA in-vitro CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])o1 56461 HSXKWKJCZNRMJO-UHFFFAOYSA-N 243.171 1.313 5 50 BDBA in-vitro CC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)O 6048925 YPBRRZJQNAFLIJ-VIFPVBQESA-N 225.200 1.837 5 50 BDBA Cn1nc([N+](=O)[O-])cc1NC(=O)OC(C)(C)C 118231988 BSRAUZBMAOXPMN-UHFFFAOYSA-N 242.235 1.675 5 50 BDBA COC(=O)Cc1cc([N+](=O)[O-])ccc1F 97756795 CAWULVIFHWERCD-UHFFFAOYSA-N 213.164 1.449 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1N1CCOCC1 4244793 XEVFYVWDTJTEHQ-UHFFFAOYSA-N 226.207 1.571 5 50 BDBA in-vitro CO[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 231682686 MNGWKYPTXJPWLG-PSASIEDQSA-N 237.259 1.969 5 50 BDBA O=C1COc2cc([N+](=O)[O-])c(Cl)cc2N1 4349949 XTFDVLNZVNSPIA-UHFFFAOYSA-N 228.591 1.579 5 50 BDBA in-vitro O=C(c1ccc([N+](=O)[O-])cc1)n1cccn1 475435 LFGZODFPPHYKNX-UHFFFAOYSA-N 217.184 1.480 5 50 BDBA C[C@@H](O)CN(C)Cc1c(F)cccc1[N+](=O)[O-] 131301673 BDGCMRRYFVAERK-MRVPVSSYSA-N 242.250 1.547 5 50 BDBA O=C(O)c1cc(O)c(Cl)cc1[N+](=O)[O-] 71773704 QCHIKMGLJXCQCR-UHFFFAOYSA-N 217.564 1.652 5 50 BDBA in-vitro COc1cc(OC)c([N+](=O)[O-])cc1F 2511041 KADJLLXINJRFKF-UHFFFAOYSA-N 201.153 1.751 5 50 BDBA in-vitro O=[N+]([O-])c1ccccc1OC1CCNCC1 38537228 BAHVOWOITZBNQV-UHFFFAOYSA-N 222.244 1.726 5 50 BDBA in-vitro CC(C)Nc1c([N+](=O)[O-])ccc2nonc12 4093892 RVAVWGCTFOQRGH-UHFFFAOYSA-N 222.204 1.951 5 50 BDBA COc1cc(C=O)c([N+](=O)[O-])cc1OC 32320 YWSPWKXREVSQCA-UHFFFAOYSA-N 211.173 1.425 5 50 BDBA biogenic,in-vitro COC(=O)Cc1ccc(F)cc1[N+](=O)[O-] 72221364 JIXJGYUIDQQFSI-UHFFFAOYSA-N 213.164 1.449 5 50 BDBA CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1693341 YSOKMOXAGMIZFZ-UHFFFAOYSA-N 212.161 1.902 5 50 BDBA in-vitro CCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O 4793968 LLCMGMSMWZUFKW-UHFFFAOYSA-N 238.199 1.642 5 50 BDBA C[N+]1(C)CCC([N+]2(C)CCCCC2)CC1 825093282 FBEJLQKMNUOFQZ-UHFFFAOYSA-N 212.381 1.856 5 50 BDBA Nc1nc(Cc2ccc([N+](=O)[O-])cc2)ns1 314484 GTXDFSJUWBXTDJ-UHFFFAOYSA-N 236.256 1.619 5 50 BDBA COC(=O)c1cc(O)c(F)cc1[N+](=O)[O-] 95217938 IWYPVZJXNKHKRF-UHFFFAOYSA-N 215.136 1.226 5 50 BDBA in-vitro O=C1CCCc2sc([N+](=O)[O-])cc2N1 4007162 QBKFYJWVRSZVGZ-UHFFFAOYSA-N 212.230 1.931 5 50 BDBA Cc1cc([N+](=O)[O-])cc2c1NC(=O)C2=O 3995906 VREHMPHOKRQMFE-UHFFFAOYSA-N 206.157 1.038 5 50 BDBA Cc1cc(=O)n(C(=O)c2cccc([N+](=O)[O-])c2)[nH]1 4566213 YQAQKJBXBGDVET-UHFFFAOYSA-N 247.210 1.082 5 50 BDBA CCOC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 2538883 GOLKUBAJTISWNS-UHFFFAOYSA-N 247.638 1.398 5 50 BDBA COC(=O)c1ccc2c([N+](=O)[O-])cccc2n1 256054862 YBYJFDIHOYAREW-UHFFFAOYSA-N 232.195 1.930 5 50 BDBA O=[N+]([O-])c1nc(Br)ccc1O 40448152 GSGNTVQLHGOEMB-UHFFFAOYSA-N 218.994 1.458 5 50 BDBA CN1CCCN(Cc2ccc([N+](=O)[O-])o2)CC1 237859 QRHPYHZVXPYGEA-UHFFFAOYSA-N 239.275 1.325 5 50 BDBA NCc1ccc(Br)cc1[N+](=O)[O-] 38538349 XHIHORXRWODQHL-UHFFFAOYSA-N 231.049 1.816 5 50 BDBA Nc1nccc(-c2cccc([N+](=O)[O-])c2)n1 2567199 PHOLBBCMCYYTSJ-UHFFFAOYSA-N 216.200 1.634 5 50 BDBA in-vitro CC(C)NC(=O)c1ccc([N+](=O)[O-])cn1 95495964 HFTDIYBNAMRKOD-UHFFFAOYSA-N 209.205 1.128 5 50 BDBA CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 2172214 WJZUAUKNJUSNBD-UHFFFAOYSA-N 209.205 1.655 5 50 BDBA CNc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1 5209350 IACKOUDXMVVXPF-UHFFFAOYSA-N 236.206 1.961 5 50 BDBA CCOC(=O)c1ccc(NN)c([N+](=O)[O-])c1 5598588 MAQFPKZXKHGKQY-UHFFFAOYSA-N 225.204 1.057 5 50 BDBA CC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 207654 GRICKQQNBMVHCM-UHFFFAOYSA-N 233.179 1.904 5 50 BDBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O 1700068 ZDTXQHVBLWYPHS-UHFFFAOYSA-N 217.202 1.150 5 50 BDBA biogenic,in-vitro COc1ccc(OC)c(/C=C/[N+](=O)[O-])c1 101325 IRRZIWHEPWPPJF-AATRIKPKSA-N 209.201 1.951 5 50 BDBA in-vitro O=[N+]([O-])c1cccnc1Br 2571270 ZCCUFLITCDHRMG-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA in-vitro CCOC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 263624175 OCCCCDGKIUEGSR-UHFFFAOYSA-N 245.181 1.979 5 50 BDBA CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 95218038 GRTIMSABBAVATP-UHFFFAOYSA-N 233.220 1.528 5 50 BDBA in-vitro O=C1CC[C@@H](CNc2ncccc2[N+](=O)[O-])O1 585092579 FRDVFADSDODUMY-ZETCQYMHSA-N 237.215 1.107 5 50 BDBA O=c1[nH]cc(-c2ccc([N+](=O)[O-])cc2)[nH]1 12374685 TXQMNSSQLHWDLB-UHFFFAOYSA-N 205.173 1.278 5 50 BDBA Cc1cc([N+](=O)[O-])nn1C(=O)c1ccccc1F 37157 INYGHXGUCFFZOM-UHFFFAOYSA-N 249.201 1.927 5 50 BDBA CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 2526599 SRZCNFCBCVDIHX-UHFFFAOYSA-N 227.220 1.090 5 50 BDBA COC(=O)Cc1cc(F)ccc1[N+](=O)[O-] 19046056 ABJDBYCUWNTRFB-UHFFFAOYSA-N 213.164 1.449 5 50 BDBA O=C1CCC(=O)N1CNc1cccc([N+](=O)[O-])c1 4774822 HUTQDJYMRGMCPR-UHFFFAOYSA-N 249.226 1.113 5 50 BDBA O=[N+]([O-])c1c[nH]nc1-c1ccc(F)cn1 150302511 NANIGEDKTKYEPB-UHFFFAOYSA-N 208.152 1.519 5 50 BDBA O=C(c1ccccc1[N+](=O)[O-])N1CCOCC1 103200 ZZSKMNCIAKKVRB-UHFFFAOYSA-N 236.227 1.067 5 50 BDBA CC1(C)Oc2cc([N+](=O)[O-])ccc2NC1=O 58235305 KGWYDVZSGRHPFK-UHFFFAOYSA-N 222.200 1.704 5 50 BDBA O=C(O)c1c[nH]nc1Cc1cccc([N+](=O)[O-])c1 1857783093 OQUCVUNRCUQZIP-UHFFFAOYSA-N 247.210 1.607 5 50 BDBA COC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1841089 WEUVWLHWKLGWBJ-UHFFFAOYSA-N 226.144 1.290 5 50 BDBA O=[N+]([O-])c1ccc(N2CCC[C@@H](CO)C2)cc1 40412395 GHESWKCVPRIYLS-SNVBAGLBSA-N 236.271 1.804 5 50 BDBA NC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1 1420572 NUEYOHVGRJVERI-UHFFFAOYSA-N 214.608 1.276 5 50 BDBA C[C@H](O)CCc1nc2cc([N+](=O)[O-])ccc2[nH]1 4644990 NOTMJBSGRYBWJS-ZETCQYMHSA-N 235.243 1.785 5 50 BDBA O=C(O)c1c(F)cc([N+](=O)[O-])cc1F 117761622 VDDOEPCUFDOETL-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA COc1cc([N+](=O)[O-])cc(F)c1OC 117041737 VPNSCAVWEHXXKW-UHFFFAOYSA-N 201.153 1.751 5 50 BDBA in-vitro c1ccc2c(c1)[nH]c1nc3nncn3nc12 5731713 QCZPWPJGDAKTPY-UHFFFAOYSA-N 210.200 1.154 5 50 BDBA CC(=O)n1c(=O)sc2cc([N+](=O)[O-])ccc21 39769 LWERWZAKFWFNQV-UHFFFAOYSA-N 238.224 1.631 5 50 BDBA COc1cccc(Cn2cc([N+](=O)[O-])cn2)c1 614341 CUQPFIIYVYBRML-UHFFFAOYSA-N 233.227 1.848 5 50 BDBA CCOC(=O)c1cc([N+](=O)[O-])cs1 196188461 CFNYYCSQRYKZID-UHFFFAOYSA-N 201.203 1.833 5 50 BDBA CNc1ncc(Br)cc1[N+](=O)[O-] 14400967 KOPIJZGJPUGTHU-UHFFFAOYSA-N 232.037 1.794 5 50 BDBA in-vitro Cc1ccn(C(=O)c2cccc([N+](=O)[O-])c2)n1 38584 AMXVKVKDUFKZDZ-UHFFFAOYSA-N 231.211 1.788 5 50 BDBA COC(=O)C[C@@H](N)c1ccc([N+](=O)[O-])cc1 95093383 JGLLZWBBGQKLKV-SECBINFHSA-N 224.216 1.158 5 50 BDBA O=[N+]([O-])c1ccc(O[C@H]2CCNC2)cc1 35635956 VPXNWRRWISNHME-JTQLQIEISA-N 208.217 1.336 5 50 BDBA N[C@@H](CC(=O)O)c1cc([N+](=O)[O-])ccc1Cl 112627 ARSCYPUMJQQUAL-QMMMGPOBSA-N 244.634 1.723 5 50 BDBA O=C(O)c1cccc(Cl)c1[N+](=O)[O-] 2037605 VCHSXYHBMFKRBK-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro C[C@@H]1CC(=O)N(C)c2cc([N+](=O)[O-])ccc2N1 4622962 ORKMIGLGUAICGQ-SSDOTTSWSA-N 235.243 1.762 5 50 BDBA COC(=O)Cc1cccc(F)c1[N+](=O)[O-] 95093451 VVQNBUHRWCFXJG-UHFFFAOYSA-N 213.164 1.449 5 50 BDBA COC(=O)c1ccc([N+](=O)[O-])c(OC)c1 1729006 PVVFEPFLFHDHHK-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA in-vitro NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 20457455 HTIFOGZDWMKLPQ-UHFFFAOYSA-N 249.270 1.158 5 50 BDBA O=C1OCCN1c1ccccc1[N+](=O)[O-] 38342431 YSUXEPLYSHKABG-UHFFFAOYSA-N 208.173 1.551 5 50 BDBA COC(=O)c1cc(OC)c(O)cc1[N+](=O)[O-] 22008499 SKKNLIAUOSEGNQ-UHFFFAOYSA-N 227.172 1.096 5 50 BDBA in-vitro COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC 2519769 FNVILAFBAWUBRW-UHFFFAOYSA-N 225.200 1.815 5 50 BDBA COC(=O)Cc1cc(F)cc([N+](=O)[O-])c1F 263624648 SGQOUCYFZVKESK-UHFFFAOYSA-N 231.154 1.589 5 50 BDBA Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-] 21981805 KJVKGYRFRFXCQQ-UHFFFAOYSA-N 208.004 1.879 5 50 BDBA in-vitro Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](O)C1 40452428 FKVCIHPSYXPYPU-NSHDSACASA-N 236.271 1.864 5 50 BDBA O=[N+]([O-])c1ccc([C@H](O)C(F)F)cc1 306145785 QDSJSRYMKHJGEH-ZETCQYMHSA-N 203.144 1.893 5 50 BDBA CCCOc1ccc([N+](=O)[O-])c(F)n1 261494438 XQHDHBGHNUFOJD-UHFFFAOYSA-N 200.169 1.918 5 50 BDBA Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 162730983 ZVJVFXJKWXFMQN-UHFFFAOYSA-N 219.200 1.382 5 50 BDBA in-vitro O=[N+]([O-])c1ccc([C@H]2OCOC[C@@H]2O)cc1 31378 JEAGEBJAKVKMBE-VHSXEESVSA-N 225.200 1.001 5 50 BDBA NC(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] 3883602 UPXUGZZQMDNPJD-UHFFFAOYSA-N 249.270 1.684 5 50 BDBA NC(=O)c1cn(C2CCCC2)nc1[N+](=O)[O-] 223253462 PQQBKJKHEJKHIK-UHFFFAOYSA-N 224.220 1.005 5 50 BDBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OCC2 16123690 NDLMVUTUPSDFML-UHFFFAOYSA-N 210.145 1.438 5 50 BDBA in-vitro C[C@H](O)c1cc2c(cc1[N+](=O)[O-])OCO2 34569108 UHJMDARCOIYCHL-YFKPBYRVSA-N 211.173 1.377 5 50 BDBA in-vitro C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O 21951439 IABGQMFXJVXIMY-ZCFIWIBFSA-N 210.189 1.480 5 50 BDBA in-vitro O=C(O)Cn1ccc2ccc([N+](=O)[O-])cc21 37116127 ZFDXOVFFEWMOBY-UHFFFAOYSA-N 220.184 1.634 5 50 BDBA COC(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C 2534362 MMGXQXXLOJZPHS-LURJTMIESA-N 241.247 1.217 5 50 BDBA COc1ccc(NC(C)=O)c([N+](=O)[O-])c1 3852564 QGEGALJODPBPGR-UHFFFAOYSA-N 210.189 1.562 5 50 BDBA biogenic,in-vitro CC(=O)Nc1ccc(C(=O)O)c([N+](=O)[O-])c1 1736289 DQKOLPCSICJNQJ-UHFFFAOYSA-N 224.172 1.251 5 50 BDBA biogenic COc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 95218040 HXLKMLLNFYMITG-UHFFFAOYSA-N 231.229 1.007 5 50 BDBA O=C(Nc1nccs1)c1ccc([N+](=O)[O-])o1 342225 NKZNKSNTMONKKG-UHFFFAOYSA-N 239.212 1.897 5 50 BDBA Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 3723299 FNHFJTQGVPZELS-UHFFFAOYSA-N 239.622 1.616 5 50 BDBA CC(C)CNC(=O)c1cccc([N+](=O)[O-])c1 103319 ZRASDWBEKQJAKD-UHFFFAOYSA-N 222.244 1.981 5 50 BDBA O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC1 300796 PLZDNGPITOUOSM-UHFFFAOYSA-N 242.256 1.036 5 50 BDBA O=[N+]([O-])c1ccc(Cl)cc1NCCO 4677390 LKYIEUZKAAJMSD-UHFFFAOYSA-N 216.624 1.652 5 50 BDBA Cc1cc(NCCc2cc[nH]n2)ncc1[N+](=O)[O-] 714541216 TWLGKYLAWOVRLX-UHFFFAOYSA-N 247.258 1.676 5 50 BDBA CON(C)C(=O)c1ccc([N+](=O)[O-])c(F)c1 54416345 HSCCKBPILZXRSV-UHFFFAOYSA-N 228.179 1.367 5 50 BDBA CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 19274366 CKCQLHDNVOCCCN-UHFFFAOYSA-N 214.608 1.608 5 50 BDBA in-vitro CC(C)(CO)NC(=O)c1cccc([N+](=O)[O-])c1 1233456 OULOSRLXJMGQBI-UHFFFAOYSA-N 238.243 1.096 5 50 BDBA COc1ccc(CC(C)=O)c([N+](=O)[O-])c1 63022962 WHTPGMMGMTXQEC-UHFFFAOYSA-N 209.201 1.735 5 50 BDBA in-vitro COc1ccc2c(c1[N+](=O)[O-])CCNC2 200976463 RXFMVJCQUZYHLG-UHFFFAOYSA-N 208.217 1.249 5 50 BDBA COc1cc([N+](=O)[O-])ccc1NC(C)=O 4775573 DQWRNQKJPNUTPJ-UHFFFAOYSA-N 210.189 1.562 5 50 BDBA COC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] 4783133 ISHRIJCPZRRMFE-UHFFFAOYSA-N 245.618 1.800 5 50 BDBA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1CC 71773223 MIQHSJRSBYCXRC-NTMALXAHSA-N 244.276 1.108 5 50 BDBA Cc1cc(OCCn2cncn2)ccc1[N+](=O)[O-] 618202 ZDNIXQBFDHMEKC-UHFFFAOYSA-N 248.242 1.574 5 50 BDBA COc1cc([N+](=O)[O-])c(N)cc1Br 4707208 HQUCUBOXGLEYNA-UHFFFAOYSA-N 247.048 1.948 5 50 BDBA CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] 5063806 VQJBQNPMKMTLAW-UHFFFAOYSA-N 223.232 1.095 5 50 BDBA CCOC(=O)CC(=O)c1ccccc1[N+](=O)[O-] 2575919 OWZNCVIBJQPNEF-UHFFFAOYSA-N 237.211 1.731 5 50 BDBA CCOC(=O)Cc1cc(F)ccc1[N+](=O)[O-] 34136082 LCFNDAZGQHXNRA-UHFFFAOYSA-N 227.191 1.840 5 50 BDBA COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 56579 GGTSJKFPGKFLCZ-UHFFFAOYSA-N 239.183 1.168 5 50 BDBA in-vitro CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl 3121896 AGILBXYTKHRLRV-UHFFFAOYSA-N 228.635 1.950 5 50 BDBA CN1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 239040 WRIGVYZSNGDFNJ-UHFFFAOYSA-N 249.314 1.732 5 50 BDBA CN(C)CCOc1ccc([N+](=O)[O-])cc1 4906830 YHVRYYYYYRDIAL-UHFFFAOYSA-N 210.233 1.535 5 50 BDBA in-vitro O=C(O)c1ncoc1-c1ccc([N+](=O)[O-])cc1 12395514 PUWYNVGKYCYJJF-UHFFFAOYSA-N 234.167 1.948 5 50 BDBA CCOC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 95921724 SIOGJUPRUMMKDF-UHFFFAOYSA-N 240.171 1.680 5 50 BDBA CC(=O)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 2173805 RKSFIMJGKUCGLN-UHFFFAOYSA-N 237.215 1.571 5 50 BDBA COc1ccc([N+](=O)[O-])c(Br)n1 21985739 GYUZCAKTIFPHRB-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA Nc1cc(Br)cc([N+](=O)[O-])c1 2000722 GWLFQPJKTXGLGD-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA in-vitro CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 5591717 XGIBGFQGCQVQBZ-UHFFFAOYSA-N 244.272 1.201 5 50 BDBA CC(=O)C[C@@H](O)c1ccccc1[N+](=O)[O-] 3136831 QLWGGIGZONFVIO-SNVBAGLBSA-N 209.201 1.607 5 50 BDBA CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] 8730224 OOEWPNGKWZWOTQ-UHFFFAOYSA-N 210.189 1.423 5 50 BDBA in-vitro Clc1ccccc1C[N+]12CCN(CC1)CC2 5286269 FZTMDFJACMEUOM-UHFFFAOYSA-N 237.754 1.986 5 50 BDBA COC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 447106 FTXSTHBPUMZTAC-MRVPVSSYSA-N 238.243 1.360 5 50 BDBA NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4701403 WUWALTBINGROFP-UHFFFAOYSA-N 235.243 1.294 5 50 BDBA O=C(O)/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1 30828557 MZRKEXUFISGDKS-PLNGDYQASA-N 236.183 1.174 5 50 BDBA O=c1cccc(-c2cccc([N+](=O)[O-])c2)[nH]1 65339172 HQDFUSNTLWVWBQ-UHFFFAOYSA-N 216.196 1.950 5 50 BDBA in-vitro CCCNC(=O)c1cc([N+](=O)[O-])cn1C 218741072 WHEGKLQECIRTKU-UHFFFAOYSA-N 211.221 1.073 5 50 BDBA C[C@H]1CC(=O)Nc2cc([N+](=O)[O-])ccc2N1 3879797 KIXSJWROHBXXPD-LURJTMIESA-N 221.216 1.737 5 50 BDBA O=[N+]([O-])c1ccc(Br)nc1F 261494105 QCRXKNCPLNMGMR-UHFFFAOYSA-N 220.985 1.891 5 50 BDBA O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1 1693283 YLQAJBKACBLUCM-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro CC1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O1 12547145 KBBINJZIGXCCNW-RMKNXTFCSA-N 232.195 1.911 5 50 BDBA COCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 45070498 LKWHHEVMTRZHSB-UHFFFAOYSA-N 212.161 1.649 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC 95080542 NWXJRVZVIWNIHJ-UHFFFAOYSA-N 225.200 1.698 5 50 BDBA in-vitro COC(=O)[C@H]1Cc2cccc([N+](=O)[O-])c2C1 71624377 KRHARWFTTQYZPM-QMMMGPOBSA-N 221.212 1.483 5 50 BDBA O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1 1555225 PCBCIXWBAPIVDV-UHFFFAOYSA-N 218.552 1.862 5 50 BDBA in-vitro O=C(O)Cc1cccc(Cl)c1[N+](=O)[O-] 2573850 BLJTYQBHLXPJPG-UHFFFAOYSA-N 215.592 1.875 5 50 BDBA in-vitro CC1=C([N+](=O)[O-])[C@H](c2ccccc2)NC(=O)N1C 191047 WWSRVSLYAAVSEL-JTQLQIEISA-N 247.254 1.891 5 50 BDBA Nc1nc(O)c(Br)cc1[N+](=O)[O-] 306901837 PCFLYUZOCFZUHZ-UHFFFAOYSA-N 234.009 1.040 5 50 BDBA CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 288753 LTJYGUNPHLFCMM-UHFFFAOYSA-N 228.635 1.998 5 50 BDBA CNC(=O)COc1ccc(C)c([N+](=O)[O-])c1 472111 OMOJKGZRRMUJQS-UHFFFAOYSA-N 224.216 1.028 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(C)cc1C 34563243 QAORUQFQPFOSBF-UHFFFAOYSA-N 209.201 1.998 5 50 BDBA in-vitro C[N+]1(C)CC[C@H](CC[C@@H]2CC[N+](C)(C)C2)C1 1857799163 PNJJVNBQBMXSOT-OKILXGFUSA-N 226.408 1.959 5 50 BDBA Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN 32541 CVTNZTGTHNNCTN-UHFFFAOYSA-N 219.244 1.886 5 50 BDBA CC1(c2cccc([N+](=O)[O-])c2)OCCO1 1610338 GMSSLCFXSWWJOF-UHFFFAOYSA-N 209.201 1.814 5 50 BDBA Nc1c(Br)cncc1[N+](=O)[O-] 21982011 UXDLBXRMNSJEPB-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])c2ccc(=O)oc12 434484 KGZAGKJVFSMUBL-UHFFFAOYSA-N 221.168 1.710 5 50 BDBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)N[C@@H](O)C=C2 4531949 OLRJPVGHSUDROC-QMMMGPOBSA-N 237.171 1.260 5 50 BDBA COC(=O)[C@H](C)Nc1ccccc1[N+](=O)[O-] 35661056 LYFPNJLDBPXNCN-ZETCQYMHSA-N 224.216 1.568 5 50 BDBA Cc1[nH]c(=O)c([N+](=O)[O-])cc1Br 21981971 OEBQKJOFOWLDME-UHFFFAOYSA-N 233.021 1.354 5 50 BDBA in-vitro O=C(COc1ccccc1)n1cc([N+](=O)[O-])cn1 2742449 BXLUUPICGPXOSX-UHFFFAOYSA-N 247.210 1.511 5 50 BDBA COC(=O)[C@@H]1Cc2cccc([N+](=O)[O-])c2C1 71624376 KRHARWFTTQYZPM-MRVPVSSYSA-N 221.212 1.483 5 50 BDBA COc1ncc(Cl)c([N+](=O)[O-])c1OC 261493698 HIUZKCBAGIXKEH-UHFFFAOYSA-N 218.596 1.660 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])cnc1Cl 8698230 WOFZRBCITDVRON-UHFFFAOYSA-N 202.553 1.341 5 50 BDBA in-vitro COC(=O)c1cc(F)cc([N+](=O)[O-])c1N 37475443 DQKJPBJOMJODBX-UHFFFAOYSA-N 214.152 1.103 5 50 BDBA in-vitro O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC1 314409 VEGQFWYQQPEBIC-FPYGCLRLSA-N 232.239 1.887 5 50 BDBA O=C(O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 211724055 CFRZRLOBWUWNOT-UHFFFAOYSA-N 233.183 1.479 5 50 BDBA COC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 35567207 TUUGVBZYZYAHPC-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(Cn2ccnc2)c1 4632196 OBNHQPCFIWWAHQ-UHFFFAOYSA-N 203.201 1.840 5 50 BDBA COc1cc(CO)c([N+](=O)[O-])cc1OC 56870 WBSCOJBVYHQOFB-UHFFFAOYSA-N 213.189 1.104 5 50 BDBA in-vitro Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 34482529 LQPUAYMERQENBC-UHFFFAOYSA-N 222.244 1.740 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(N2CCC(O)CC2)cc1 4052629 RNPWPESLLCUROD-UHFFFAOYSA-N 222.244 1.556 5 50 BDBA in-vitro COC(=O)COc1ccc([N+](=O)[O-])cc1OC 4783918 RDRFKTRWDRDOKA-UHFFFAOYSA-N 241.199 1.155 5 50 BDBA NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 34493261 KQXIVONHGWKTQB-UHFFFAOYSA-N 205.173 1.175 5 50 BDBA COC(=O)c1cc(C)c(F)cc1[N+](=O)[O-] 201111806 JTCJXYDXMDXOTG-UHFFFAOYSA-N 213.164 1.829 5 50 BDBA CCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1 245265 SNHZVVWGMFAXGE-UHFFFAOYSA-N 230.245 1.356 5 50 BDBA O=C(O)c1csc([N+](=O)[O-])c1C(=O)O 114519525 QVUNLLWWQKILLR-UHFFFAOYSA-N 217.158 1.053 5 50 BDBA Nc1cc(C(F)(F)F)c([N+](=O)[O-])cn1 146432407 WVKWPMZRKCPVKN-UHFFFAOYSA-N 207.111 1.591 5 50 BDBA in-vitro COc1cc([N+](=O)[O-])cc(OC)c1C=O 261493902 LSBDBSFJYGXOST-UHFFFAOYSA-N 211.173 1.425 5 50 BDBA O=C(O)c1ccc(Cl)cc1[N+](=O)[O-] 164389 JAHIPDTWWVYVRV-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro O=[N+]([O-])c1ccc([C@H]2OCN3COC[C@@H]23)cc1 19203810 DBDXAJVSKWAGLH-WDEREUQCSA-N 236.227 1.282 5 50 BDBA CC(=O)N1C(=O)Cc2cc([N+](=O)[O-])ccc21 4828172 NBFVFIMXPGSTOC-UHFFFAOYSA-N 220.184 1.030 5 50 BDBA COc1cc(OC)c(C(=O)O)c([N+](=O)[O-])c1 4343293 NWJKDKBOADFMPZ-UHFFFAOYSA-N 227.172 1.310 5 50 BDBA O=c1sc2ccccc2c(O)c1[N+](=O)[O-] 100570251 IPWZHKPVZQGTFH-UHFFFAOYSA-N 223.209 1.875 5 50 BDBA COCc1cc(F)c([N+](=O)[O-])cc1C(=O)OC 75759778 YTJCKPDAVNATIW-UHFFFAOYSA-N 243.190 1.667 5 50 BDBA in-vitro COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=O)O 4343265 MGQICJSVBWHOSN-UHFFFAOYSA-N 242.143 1.210 5 50 BDBA COC(CNc1ncccc1[N+](=O)[O-])OC 44137231 OALZZCLISYXUMT-UHFFFAOYSA-N 227.220 1.021 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(Cl)c([S@](=O)O)c1 16975340 BATQLIHIWSGZNZ-UHFFFAOYSA-N 221.621 1.829 5 50 BDBA CS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 15443642 DIUCTHUYGZNUJD-UHFFFAOYSA-N 219.193 1.137 5 50 BDBA in-vitro Cc1ccc(NCn2cncn2)cc1[N+](=O)[O-] 3124438 FAHMWKFCFHQPGB-UHFFFAOYSA-N 233.231 1.564 5 50 BDBA Nc1nc(N2CCCCC2)ccc1[N+](=O)[O-] 167784356 MNRFRZSDKIPNNG-UHFFFAOYSA-N 222.248 1.562 5 50 BDBA CCOC(=O)c1ccc([N+](=O)[O-])cc1F 34415705 KGLJHQMYPYCYCR-UHFFFAOYSA-N 213.164 1.911 5 50 BDBA O=C(O)c1cc2cc([N+](=O)[O-])cnc2s1 214875329 NRYMIMWWWBRFJW-UHFFFAOYSA-N 224.197 1.903 5 50 BDBA COC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1 4237828 XYESWWUBKWDGNI-UHFFFAOYSA-N 220.184 1.863 5 50 BDBA in-vitro COC(=O)c1ccccc1CC[N+](=O)[O-] 1385851 NSQWWJPSNYJLSE-UHFFFAOYSA-N 209.201 1.292 5 50 BDBA CCOC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 2557725 LUQISWYIEFMQLP-MRVPVSSYSA-N 241.247 1.532 5 50 BDBA CC(C)COc1ccc(C(N)=O)cc1[N+](=O)[O-] 212401348 KKXDHJHEUBRQBH-UHFFFAOYSA-N 238.243 1.729 5 50 BDBA COC(=O)c1csc(/C=C/[N+](=O)[O-])c1 334277 XWWDEKSHLSDABX-NSCUHMNNSA-N 213.214 1.782 5 50 BDBA Cc1c([N+](=O)[O-])c(C(=O)NC(C)(C)C)nn1C 2778721 JAOUZSMWBHRHJE-UHFFFAOYSA-N 240.263 1.165 5 50 BDBA O=[N+]([O-])c1ccc(N2CCN3CCC[C@H]3C2)nc1 241383549 MWDDCGZNPYCEBU-NSHDSACASA-N 248.286 1.274 5 50 BDBA CCOc1ccc([N+](=O)[O-])cc1C(=O)O 5027747 XRKKMLOKFZITPU-UHFFFAOYSA-N 211.173 1.692 5 50 BDBA in-vitro O=C1CSC(Nc2ccccc2[N+](=O)[O-])=N1 18217729 CXBTVODIJNACMY-UHFFFAOYSA-N 237.240 1.636 5 50 BDBA O=C1NCCN1c1ccc([N+](=O)[O-])cc1 5412359 CNNYHMFUBSCGKA-UHFFFAOYSA-N 207.189 1.124 5 50 BDBA Cc1c[nH]c(=O)n1-c1ccc([N+](=O)[O-])cc1 162730064 JKGGCNSJIRGGAF-UHFFFAOYSA-N 219.200 1.382 5 50 BDBA O=[N+]([O-])c1ccccc1C[n+]1ccccc1 274480 GMGGNXABSJTHGJ-UHFFFAOYSA-N 215.232 1.931 5 50 BDBA in-vitro Cc1ccnc(NCCn2ccnn2)c1[N+](=O)[O-] 136309597 JPTNDJYQWYNTPQ-UHFFFAOYSA-N 248.246 1.002 5 50 BDBA CCOC(=O)[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 252441020 AYAOGAWAISPJGQ-YRGRVCCFSA-N 226.340 1.959 5 50 BDBA COc1cc(S(C)(=O)=O)ccc1[N+](=O)[O-] 139742955 UZMMVNSSFZMATR-UHFFFAOYSA-N 231.229 1.007 5 50 BDBA O=c1[nH]cnc2cc(Cl)c([N+](=O)[O-])cc12 12505219 URDYTQYZXZKBQT-UHFFFAOYSA-N 225.591 1.485 5 50 BDBA in-vitro Cc1cc([N+](=O)[O-])ccc1N1CCNCC1 4344177 OVKXEUNBXUPEAP-UHFFFAOYSA-N 221.260 1.313 5 50 BDBA COc1cc(C)cc2c(=O)c([N+](=O)[O-])c[nH]c12 2332237497 VEXOWABFEQNNNW-UHFFFAOYSA-N 234.211 1.753 5 50 BDBA O=[N+]([O-])c1cn(-c2cccc(O)c2)cn1 230009 FKBXJISOABTWPR-UHFFFAOYSA-N 205.173 1.486 5 50 BDBA CCOC(=O)c1ccc(NC)c([N+](=O)[O-])c1 54965033 VBBWOFYWXQZACX-UHFFFAOYSA-N 224.216 1.813 5 50 BDBA O=C(O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 153592 GJAIAEVUUHUHTE-OWOJBTEDSA-N 237.167 1.421 5 50 BDBA in-vitro Cn1nc(C(=O)O)c2ccc([N+](=O)[O-])cc21 95742612 FHZBBQZHAMFAMH-UHFFFAOYSA-N 221.172 1.180 5 50 BDBA COC(=O)c1cc(F)c(F)c([N+](=O)[O-])c1 260164968 OFTXOTAVLQQHDP-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA O=C(OCCF)c1ccc([N+](=O)[O-])s1 744460706 LMRVBVOJIQBSSO-UHFFFAOYSA-N 219.193 1.783 5 50 BDBA C[C@H]1Oc2ccc([N+](=O)[O-])cc2NC1=O 6298883 JIRMEYNXGZSORX-RXMQYKEDSA-N 208.173 1.314 5 50 BDBA in-vitro O=C(O)c1cc([N+](=O)[O-])c(F)c(F)c1F 16159648 BCMIOBTWFPSPJJ-UHFFFAOYSA-N 221.090 1.710 5 50 BDBA in-vitro CN1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 236608 GSSDFFATVJALPZ-UHFFFAOYSA-N 249.314 1.732 5 50 BDBA O=C(Nc1ccc([N+](=O)[O-])cn1)C1CC1 4044688 PXQMSCKKVCXUKO-UHFFFAOYSA-N 207.189 1.338 5 50 BDBA CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 3961529 KMVAFZCEPQXJQP-UHFFFAOYSA-N 224.216 1.952 5 50 BDBA CC(=O)Nc1cc(O)c(C(C)=O)cc1[N+](=O)[O-] 85210692 LWTSKMDGAXLZJJ-UHFFFAOYSA-N 238.199 1.461 5 50 BDBA COC(=O)c1ccc(OC)cc1[N+](=O)[O-] 20247707 APKDQNMBIHKQSF-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA in-vitro CCSc1ncnc(O)c1[N+](=O)[O-] 670422125 FNHFNJUQDFKPSC-UHFFFAOYSA-N 201.207 1.202 5 50 BDBA C[C@H](O)CNCc1cccc([N+](=O)[O-])c1 8498044 LSDVLXCTMQQSPC-QMMMGPOBSA-N 210.233 1.065 5 50 BDBA Cc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-] 1687028 LZWWZQXBKVZKIP-UHFFFAOYSA-N 226.144 1.510 5 50 BDBA biogenic,in-vitro NC(=O)Cn1cc(/C=C\[N+](=O)[O-])c2ccccc21 5050820 YYXMZJQPWILXHU-WAYWQWQTSA-N 245.238 1.374 5 50 BDBA O=C(O)c1cc2c(cc1[N+](=O)[O-])OCCO2 4205455 QBFGQHROZQJASA-UHFFFAOYSA-N 225.156 1.064 5 50 BDBA in-vitro O=Cc1cnc(Br)c([N+](=O)[O-])c1 237975554 PKOUXUYOTGTLJT-UHFFFAOYSA-N 231.005 1.565 5 50 BDBA C[C@]1(c2cccc([N+](=O)[O-])c2)COC(=O)N1 585139444 XXMWEORTULSPPN-SNVBAGLBSA-N 222.200 1.550 5 50 BDBA O=[N+]([O-])c1cccnc1N1CCCCC1 19293180 BZBDHAOGBMKWDD-UHFFFAOYSA-N 207.233 1.980 5 50 BDBA in-vitro CCCCCCNC[C@@H](O)C[N+](C)(C)C 71785202 OIDFJRPUHRPSRZ-GFCCVEGCSA-N 217.377 1.223 5 50 BDBA Cc1[nH]c(=N[C@@H](C)c2cc[nH]n2)ccc1[N+](=O)[O-] 408515573 JAOIFFPZVQPISG-ZETCQYMHSA-N 247.258 1.616 5 50 BDBA O=[N+]([O-])c1cc(Br)cn2cnnc12 15021332 RXPJMXNWABONRU-UHFFFAOYSA-N 243.020 1.400 5 50 BDBA O=Cc1nc2ccc(Cl)cn2c1[N+](=O)[O-] 238537905 DPQGGTXGTOYJEY-UHFFFAOYSA-N 225.591 1.708 5 50 BDBA Nc1cc(N2CCCCC2)ncc1[N+](=O)[O-] 669382642 ICDWQTOZPAWYPU-UHFFFAOYSA-N 222.248 1.562 5 50 BDBA Cc1cc(OC[C@H]2CO2)ccc1[N+](=O)[O-] 294808 KPSRPFWGKNZDPP-VIFPVBQESA-N 209.201 1.681 5 50 BDBA O=C(O)c1ccc([N+](=O)[O-])c2c1OCO2 141627282 KHIRFDDYHRRUGO-UHFFFAOYSA-N 211.129 1.022 5 50 BDBA CCCCNc1ncnc(N)c1[N+](=O)[O-] 3912479 MRQPNESUJNVVPT-UHFFFAOYSA-N 211.225 1.179 5 50 BDBA COc1nc(Br)ccc1[N+](=O)[O-] 21981988 OMOZIEOLBBCAFW-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA in-vitro CCOC(=O)c1cc([N+](=O)[O-])c(C)nc1C 5592844 IZPZXEQYKKWPQN-UHFFFAOYSA-N 224.216 1.783 5 50 BDBA CCOc1c(O)ccc(C=O)c1[N+](=O)[O-] 464113 NJASMHYJYRKBBO-UHFFFAOYSA-N 211.173 1.512 5 50 BDBA O=C1COc2ccc(/C=C/[N+](=O)[O-])cc2N1 669368746 HLJRTMYZPVVTTA-ONEGZZNKSA-N 220.184 1.265 5 50 BDBA O=[N+]([O-])c1ncc(Br)cc1F 221913704 YMXQSNGTVXQMLC-UHFFFAOYSA-N 220.985 1.891 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1SC[C@@H](O)CO 86659889 WNOBNUQBJNAUAO-ZETCQYMHSA-N 247.247 1.179 5 50 BDBA Cc1nc(N)c([N+](=O)[O-])cc1Br 19878689 CRELZBHEKSIUDR-UHFFFAOYSA-N 232.037 1.643 5 50 BDBA O=[N+]([O-])c1ccc(CP(=O)(O)O)cc1 2170203 FZNXRFYRXBFQMX-UHFFFAOYSA-N 217.117 1.273 5 50 BDBA COc1cc2c(c([N+](=O)[O-])c1OC)C(=O)OC2 4294164 BLMDOSYVVCGMCC-UHFFFAOYSA-N 239.183 1.282 5 50 BDBA COc1ccc([N+](=O)[O-])cc1[S@@](=O)O 148483960 CXQJPHJGRGQUFS-UHFFFAOYSA-N 217.202 1.184 5 50 BDBA O=C(O)/C=C/c1cc(F)c([N+](=O)[O-])c(F)c1 263623082 DMHLTJAYXVMWMQ-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA Nc1c(Cl)cc(C(=O)O)cc1[N+](=O)[O-] 62719866 RYHFFQWATLLGPV-UHFFFAOYSA-N 216.580 1.529 5 50 BDBA in-vitro CCN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1 241176 KDFIFYPLKBQDDT-UHFFFAOYSA-N 239.275 1.325 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 4404106 YKMDNKRCCODWMG-UHFFFAOYSA-N 212.117 1.201 5 50 BDBA CCCN(CCO)Cc1cccc([N+](=O)[O-])c1 23281463 CYTBTUFVURJHOP-UHFFFAOYSA-N 238.287 1.799 5 50 BDBA CCNc1ccc(C(=O)OC)cc1[N+](=O)[O-] 39956292 PGOWZUNCBPVWPL-UHFFFAOYSA-N 224.216 1.813 5 50 BDBA in-vitro COC(=O)COc1nc(C)cc(C)c1[N+](=O)[O-] 4710020 UZYAVHOLHKFFLE-UHFFFAOYSA-N 240.215 1.158 5 50 BDBA Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1N 4050393 VOLQVUSPNNDAIX-UHFFFAOYSA-N 211.177 1.702 5 50 BDBA O=[N+]([O-])[C@]12c3ccccc3N[C@H]1N1C=CO[C@@H]12 136982353 SFMXJKOCOJUINV-HBNTYKKESA-N 231.211 1.053 5 50 BDBA O=[N+]([O-])[C@]12c3ccccc3N[C@H]1N1C=CO[C@H]12 829030120 SFMXJKOCOJUINV-GARJFASQSA-N 231.211 1.053 5 50 BDBA COC(=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2N1 44138724 PEFQAKIOILEYAZ-VIFPVBQESA-N 222.200 1.104 5 50 BDBA in-vitro COCCNC(=O)Nc1cccc([N+](=O)[O-])c1 2851238 PNXNXIYSFRLXJD-UHFFFAOYSA-N 239.231 1.363 5 50 BDBA Cn1ncc(Br)c1[N+](=O)[O-] 987400 VRXGHSCAAADKCM-UHFFFAOYSA-N 205.999 1.091 5 50 BDBA CC[N+]1(CC)CC[N+](CC)(CC)CC1 406187 HFVBQLLTVUANKH-UHFFFAOYSA-N 200.370 1.713 5 50 BDBA Cc1noc(=O)n1Cc1csc([N+](=O)[O-])c1 1875391337 MTJDGPFOZAAMIZ-UHFFFAOYSA-N 241.228 1.163 5 50 BDBA O=C(O)[C@H](F)Cc1ccc([N+](=O)[O-])cc1 1857782966 GGNTXQGEAWBZKK-MRVPVSSYSA-N 213.164 1.560 5 50 BDBA COC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1727635 HTANURMJHZJJSO-UHFFFAOYSA-N 240.171 1.219 5 50 BDBA O=[N+]([O-])c1cnc(Br)s1 1081253 ANIJFZVZXZQFDH-UHFFFAOYSA-N 209.024 1.814 5 50 BDBA in-vitro CCNC[C@H](O)c1ccc([N+](=O)[O-])cc1 3123740 GPYGUPLVSOWCPG-JTQLQIEISA-N 210.233 1.238 5 50 BDBA O=[N+]([O-])c1ccc(C[S@@](=O)O)cc1 125980087 HXTYUWCWSASADW-UHFFFAOYSA-N 201.203 1.317 5 50 BDBA O=[N+]([O-])[C@@H]1CCC[C@@H]2[C@@H]1CCC[C@H]2[N+](=O)[O-] 247418513 QTKVEILORHUNPS-UTINFBMNSA-N 228.248 1.877 5 50 BDBA CC(C)N/C=C(/c1cc(O)ccc1O)[N+](=O)[O-] 2282102 PSLHGABMPCXUED-POHAHGRESA-N 238.243 1.671 5 50 BDBA O=C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 2505780 LQQFSAFLSZJSEH-UHFFFAOYSA-N 248.238 1.400 5 50 BDBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1 4899445 JWXPYNYNEUYKOW-JTQLQIEISA-N 235.243 1.285 5 50 BDBA in-vitro COc1cc(C(=O)O)c([N+](=O)[O-])cc1F 50018876 MGLFJUZFMICSSW-UHFFFAOYSA-N 215.136 1.441 5 50 BDBA in-vitro CCOC(=O)c1cc([N+](=O)[O-])ccc1OC 15446172 LLMJDYSVAYKBJC-UHFFFAOYSA-N 225.200 1.780 5 50 BDBA in-vitro Cc1cnn(C(=O)c2cccc([N+](=O)[O-])c2)c1 1054020 DZMHVBFQFZACPB-UHFFFAOYSA-N 231.211 1.788 5 50 BDBA CCOC(=O)[C@H]1CCC[N@@+]2(C)CCCC[C@@H]12 252460017 AYAOGAWAISPJGQ-SGMGOOAPSA-N 226.340 1.959 5 50 BDBA biogenic O=[N+]([O-])c1cccnc1N1CC(OCCF)C1 585092231 KSDBXRPEUNJMAD-UHFFFAOYSA-N 241.222 1.165 5 50 BDBA O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccccc2F)N1 90288 QGDNPJMOWINWST-KOLCDFICSA-N 238.218 1.422 5 50 BDBA Nc1nccnc1Sc1ncccc1[N+](=O)[O-] 335745 SMSYGAJIBKDEIB-UHFFFAOYSA-N 249.255 1.513 5 50 BDBA COC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 447105 FTXSTHBPUMZTAC-QMMMGPOBSA-N 238.243 1.360 5 50 BDBA O=c1oc(=O)c2cccn2c2ccccc12 165652 VAGZEMPRSPZMLU-UHFFFAOYSA-N 213.192 1.406 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])c(C(=O)O)s1 95494794 HIYMPHGMRCPBIG-UHFFFAOYSA-N 217.158 1.053 5 50 BDBA in-vitro O=Cc1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 2535221 VGZNRJOTGMXALE-UHFFFAOYSA-N 247.210 1.640 5 50 BDBA in-vitro Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1F 207344757 DKIGICFLNPXDBT-UHFFFAOYSA-N 200.125 1.951 5 50 BDBA O=C(O)CSc1ccccc1[N+](=O)[O-] 318558 PINPTHMYKLERLV-UHFFFAOYSA-N 213.214 1.772 5 50 BDBA in-vitro COC(=O)c1ccc([N+](=O)[O-])c(C(=O)OC)c1 39242304 IFGRLSNABSJUIU-UHFFFAOYSA-N 239.183 1.168 5 50 BDBA COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 499735 XWBDWELWBUWSNI-UHFFFAOYSA-N 239.183 1.168 5 50 BDBA in-vitro CCOC(=O)c1cc([N+](=O)[O-])sc1N 4176834 UXDKVBJDZDRIKL-UHFFFAOYSA-N 216.218 1.415 5 50 BDBA in-vitro COc1ccc2c(c1[N+](=O)[O-])CNCC2 215773570 BFRHOMRTPNJPQT-UHFFFAOYSA-N 208.217 1.249 5 50 BDBA C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 40377489 SQSQBTYAUOXOJI-ZETCQYMHSA-N 209.201 1.858 5 50 BDBA O=C(O)CCCNc1ccc([N+](=O)[O-])cc1 3888851 BTWRFZZFMXEFQG-UHFFFAOYSA-N 224.216 1.872 5 50 BDBA in-vitro CCOC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 126527 KEZJJHIAFAKMCZ-UHFFFAOYSA-N 247.638 1.316 5 50 BDBA O=[N+]([O-])C[C@@H](O)c1cc([N+](=O)[O-])ccc1Cl 44126362 ITTRNIDYUSGJDP-MRVPVSSYSA-N 246.606 1.558 5 50 BDBA CC(=O)n1nc(C)c([N+](=O)[O-])c1C(F)(F)F 2379311 BZTAPLFYRDPBPB-UHFFFAOYSA-N 237.137 1.779 5 50 BDBA in-vitro COc1c(C)ccc(C(=O)O)c1[N+](=O)[O-] 40448379 PJEQOQBIFDMSON-UHFFFAOYSA-N 211.173 1.610 5 50 BDBA in-vitro COc1cc(C)nc(Cl)c1[N+](=O)[O-] 39018497 HZNSXSSJRAACCF-UHFFFAOYSA-N 202.597 1.960 5 50 BDBA O=C1COc2c1cc(Cl)cc2[N+](=O)[O-] 307014865 SUHSFHXGJDLERE-UHFFFAOYSA-N 213.576 1.823 5 50 BDBA O=C(O)C(=O)c1cc([N+](=O)[O-])ccc1F 725262153 YWOHAHJWZCWQLG-UHFFFAOYSA-N 213.120 1.001 5 50 BDBA CC(C)CO[C@@H](CC(=O)O)C[N+](C)(C)C 116576873 ZPIZLNUYEDNLRK-JTQLQIEISA-O 218.317 1.209 5 50 BDBA O=[N+]([O-])/C=C/Nc1cccc([N+](=O)[O-])c1 2896454 CEIVHMJMYJNXJZ-SNAWJCMRSA-N 209.161 1.755 5 50 BDBA O=[N+]([O-])c1ccccc1N1CCNCC1 3887431 YJRCDSXLKPERNV-UHFFFAOYSA-N 207.233 1.004 5 50 BDBA in-vitro O=Cc1cc(Br)c(O)c([N+](=O)[O-])c1 4526031 QBGJRIICMHIJJR-UHFFFAOYSA-N 246.016 1.875 5 50 BDBA O=c1[nH]c2cc([N+](=O)[O-])c(Cl)cc2o1 22203691 YNKFDRBTIKYADI-UHFFFAOYSA-N 214.564 1.683 5 50 BDBA NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 567063 XEXLVJPVLGTROT-UHFFFAOYSA-N 245.032 1.456 5 50 BDBA in-vitro O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1O 1693336 KESYALTWUAFAAC-UHFFFAOYSA-N 218.552 1.862 5 50 BDBA NCCNc1c(Cl)cccc1[N+](=O)[O-] 4142101 JDPWZYUSWMRIBG-UHFFFAOYSA-N 215.640 1.619 5 50 BDBA Cc1cc(C(=O)Nc2nnc[nH]2)ccc1[N+](=O)[O-] 18115479 WHQDNDFEPCHKOL-UHFFFAOYSA-N 247.214 1.274 5 50 BDBA O=[N+]([O-])c1ccc(NCCCO)c2ncccc12 4117556 QVOWPOOPTZMTDH-UHFFFAOYSA-N 247.254 1.937 5 50 BDBA O=CNc1cccc([N+](=O)[O-])c1[N+](=O)[O-] 6925696 IMYBUSJPBGMOOQ-UHFFFAOYSA-N 211.133 1.071 5 50 BDBA O=[N+]([O-])c1cccc([C@@H]2NCCc3[nH]cnc32)c1 197248 DBEFCWICFAVKKV-NSHDSACASA-N 244.254 1.553 5 50 BDBA biogenic O=[N+]([O-])c1ccc(-c2cnc(NO)nc2)cc1 300139 WYIJGMIZURWDMH-UHFFFAOYSA-N 232.199 1.853 5 50 BDBA CC1(O)CCN(c2ccc([N+](=O)[O-])cc2)CC1 126749623 BTXFCTOPKCSXDL-UHFFFAOYSA-N 236.271 1.946 5 50 BDBA O=[N+]([O-])c1cnc(Cl)c([N+](=O)[O-])c1 1841150 QLHVJBXAQWPEDI-UHFFFAOYSA-N 203.541 1.551 5 50 BDBA C[C@H]([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-] 167808 FCWYFQGGRBDNRW-HZGVNTEJSA-N 207.185 1.563 5 50 BDBA in-vitro CCOC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C 2738281 LUQISWYIEFMQLP-QMMMGPOBSA-N 241.247 1.532 5 50 BDBA CCCCOC(=O)c1[nH]ncc1[N+](=O)[O-] 3833210 GXUBBEDUDHMURZ-UHFFFAOYSA-N 213.193 1.275 5 50 BDBA Cc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] 2557665 CMIMRMOSIVTUAA-UHFFFAOYSA-N 200.125 1.951 5 50 BDBA in-vitro CCOC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 2164708 NYBPNCZBAGRYQA-MRVPVSSYSA-N 239.227 1.925 5 50 BDBA Cc1cc(N2C(=O)C=CC2=O)c([N+](=O)[O-])cc1C 4526130 YVCAYKROBQIQLW-UHFFFAOYSA-N 246.222 1.641 5 50 BDBA O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC1 70262944 FFGPQQRENLKRBI-UHFFFAOYSA-N 238.218 1.970 5 50 BDBA COc1ccc2nc3nc(N)ncc3cc2c1 12404972 LEBJRBDRCVNUIE-UHFFFAOYSA-N 226.239 1.769 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1 1529638 XZKIHKMTEMTJQX-UHFFFAOYSA-N 219.089 1.066 5 50 BDBA in-man,metabolite CCOC(=O)CN(C)c1ccccc1[N+](=O)[O-] 34204005 OCZWLFVQSNPXBF-UHFFFAOYSA-N 238.243 1.594 5 50 BDBA COC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] 21304781 JHWZADUIXGMAKM-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA in-vitro O=C(Nc1ccccc1[N+](=O)[O-])c1cnccn1 4996797 GVJTUCXFOYVBEG-UHFFFAOYSA-N 244.210 1.637 5 50 BDBA Cc1ccc(OCCn2cncn2)c([N+](=O)[O-])c1 618241 ZWCCMAGAOPVIGE-UHFFFAOYSA-N 248.242 1.574 5 50 BDBA CCN(CC)c1ccc2nonc2c1[N+](=O)[O-] 4006782 ZKDUNWATYPHWFM-UHFFFAOYSA-N 236.231 1.977 5 50 BDBA Cc1cc(C(=O)C(=O)O)cc([N+](=O)[O-])c1 725262154 YWRIJIUUFDFBQH-UHFFFAOYSA-N 209.157 1.171 5 50 BDBA COC(=O)[C@@H](C)Nc1ccccc1[N+](=O)[O-] 35661057 LYFPNJLDBPXNCN-SSDOTTSWSA-N 224.216 1.568 5 50 BDBA O=[N+]([O-])c1ccccc1Sc1nnc(O)[nH]1 170616208 JBDSZPDNDNCLOF-UHFFFAOYSA-N 238.228 1.570 5 50 BDBA COCC1CN(c2nccc(C)c2[N+](=O)[O-])C1 585092288 NOGNFVPIHLSRNX-UHFFFAOYSA-N 237.259 1.381 5 50 BDBA O=[N+]([O-])c1ccc2nc(Cl)nc(O)c2c1 39345960 MLJRXYMXBVELPQ-UHFFFAOYSA-N 225.591 1.897 5 50 BDBA in-vitro CC[C@](C)(O)Cn1nc([N+](=O)[O-])cc1C 123849832 WBYFZKFHFONOCW-VIFPVBQESA-N 213.237 1.261 5 50 BDBA CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1665097 IBQREHJPMPCXQA-UHFFFAOYSA-N 240.171 1.680 5 50 BDBA CCOC(=O)[C@@H](CC)n1nc([N+](=O)[O-])cc1C 2537595 DMDORBHFKTUDCE-MRVPVSSYSA-N 241.247 1.614 5 50 BDBA CCOC(=O)c1cccc([N+](=O)[O-])c1C(=O)O 91301479 SZAOZGFHEAVFMM-UHFFFAOYSA-N 239.183 1.470 5 50 BDBA COc1cccc(/C=C/[N+](=O)[O-])c1OC 103738 OFJZSDMKKDTNHZ-VOTSOKGWSA-N 209.201 1.951 5 50 BDBA CCN(CC)C(=O)c1ccc([N+](=O)[O-])o1 192709 RNQVUGIHHPXXCJ-UHFFFAOYSA-N 212.205 1.670 5 50 BDBA COC(=O)[C@@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1 12336840 MVYNAWKGJNUDJT-DTWKUNHWSA-N 223.184 1.208 5 50 BDBA O=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1 5064009 GSTWJGHEEBKDPK-UHFFFAOYSA-N 249.270 1.629 5 50 BDBA CC(C)(C)OC(=O)N1CCC([N+](=O)[O-])CC1 75824151 XASYUHHGRZOCKH-UHFFFAOYSA-N 230.264 1.663 5 50 BDBA in-vitro COCCNC(=O)c1cccc([N+](=O)[O-])c1C 2870862 MHCZLWGSECOWTG-UHFFFAOYSA-N 238.243 1.279 5 50 BDBA CCOc1ccc(N(C)C(C)=O)c([N+](=O)[O-])c1 252479321 BCYXWUCGULZPPH-UHFFFAOYSA-N 238.243 1.976 5 50 BDBA O=[N+]([O-])c1ccc(-c2noc(-c3ccno3)n2)o1 78518 VSZVAGCJFVDCKZ-UHFFFAOYSA-N 248.154 1.893 5 50 BDBA O=[N+]([O-])c1ccc(CN2CCC(O)CC2)cc1 240189 GJERFMGMGRLRMD-UHFFFAOYSA-N 236.271 1.552 5 50 BDBA CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4583056 PJZISYPIXAIQQA-UHFFFAOYSA-N 229.623 2.000 5 50 BDBA COC(=O)c1ccc(C(C)=O)c([N+](=O)[O-])c1 142242438 RWLGQQWVBIMMEG-UHFFFAOYSA-N 223.184 1.584 5 50 BDBA in-vitro COc1cc2c(cc1/C=C/[N+](=O)[O-])OCO2 464161 GPZHSRJBTWPMMQ-NSCUHMNNSA-N 223.184 1.671 5 50 BDBA O=[N+]([O-])c1ncccc1-c1cccnc1[N+](=O)[O-] 4100166 UABVZWOBMDYKLL-UHFFFAOYSA-N 246.182 1.960 5 50 BDBA CS(=O)(=O)Oc1ccc(F)c([N+](=O)[O-])c1 575442717 MVDUKSREZAXNJK-UHFFFAOYSA-N 235.192 1.072 5 50 BDBA CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] 464880 TVFKFBINTQCOBU-BQYQJAHWSA-N 220.228 1.744 5 50 BDBA CCC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 839701467 LOAZHGLEFJQIEZ-HBNTYKKESA-N 240.303 1.690 5 50 BDBA CC(C)CNC(=O)c1ccccc1[N+](=O)[O-] 103208 YCQLFKGHOHITGK-UHFFFAOYSA-N 222.244 1.981 5 50 BDBA C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(N)n1 167771470 FSUOOFYAEILBJK-QMMMGPOBSA-N 236.275 1.951 5 50 BDBA O=[N+]([O-])c1cn(COCc2ccccc2)cn1 2569645 TXXYYOUBDOAQDT-UHFFFAOYSA-N 233.227 1.966 5 50 BDBA Nc1c(O)cc(Br)cc1[N+](=O)[O-] 141897913 XMJNQKQINSXSHA-UHFFFAOYSA-N 233.021 1.645 5 50 BDBA O=C1CC[C@H]([N+](=O)[O-])[C@H](c2ccccc2F)N1 90284 QGDNPJMOWINWST-ONGXEEELSA-N 238.218 1.422 5 50 BDBA Cc1ccc(CN2CCOCC2)cc1[N+](=O)[O-] 71257113 ACODSVKAYYGMTE-UHFFFAOYSA-N 236.271 1.735 5 50 BDBA COC(=O)COc1cc(C)c([N+](=O)[O-])cc1F 123352572 MHSKHHTWVBACGM-UHFFFAOYSA-N 243.190 1.594 5 50 BDBA COC(=O)c1ccc([N+](=O)[O-])c(C=O)c1 2548254 JHFSCEMUDKRPID-UHFFFAOYSA-N 209.157 1.194 5 50 BDBA in-vitro Cc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-] 439910 CCPWKCGMFGHEKP-UHFFFAOYSA-N 232.195 1.333 5 50 BDBA O=c1c([N+](=O)[O-])c[nH]c2cc(F)ccc12 16697957 QQCYUTXNUGPTAV-UHFFFAOYSA-N 208.148 1.575 5 50 BDBA in-vitro COCCOc1c(F)cccc1[N+](=O)[O-] 67800614 ZJRZZNMZMFYFLB-UHFFFAOYSA-N 215.180 1.759 5 50 BDBA COCOc1cc(F)ccc1[N+](=O)[O-] 35049392 UWIZRXPPCYEUOZ-UHFFFAOYSA-N 201.153 1.717 5 50 BDBA O=[N+]([O-])c1ccc([C@H]2CCS(=O)(=O)C2)cc1 5344498 GPFDJHWOJOCPMW-VIFPVBQESA-N 241.268 1.497 5 50 BDBA CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 113702094 YGFVKGOTHRPBMR-UHFFFAOYSA-N 212.180 1.436 5 50 BDBA COC(=O)CCNc1ccc(F)cc1[N+](=O)[O-] 54613338 RVXQACRSNICSIB-UHFFFAOYSA-N 242.206 1.709 5 50 BDBA in-vitro O=[N+]([O-])c1cc2c(Cl)nc(Cl)nn2c1 66055286 UILXDKCIJUPNOF-UHFFFAOYSA-N 233.014 1.944 5 50 BDBA in-vitro CC(C)Oc1cc(C(N)=O)ccc1[N+](=O)[O-] 263624681 SOOBCYQNSQJGHE-UHFFFAOYSA-N 224.216 1.481 5 50 BDBA COC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 34728669 OPAONOUHSWKDJD-UHFFFAOYSA-N 226.144 1.290 5 50 BDBA in-vitro COC(=O)Cc1ccc(O)c([N+](=O)[O-])c1 34785090 SPCRIUSIYZYZKN-UHFFFAOYSA-N 211.173 1.016 5 50 BDBA in-vitro Cc1ccc([N+](=O)[O-])cc1N1C(=O)CCC1=O 312192 PCSJAVZRVPZSAJ-UHFFFAOYSA-N 234.211 1.557 5 50 BDBA O=C(NC1CC1)c1ccc([N+](=O)[O-])cc1 452756 HPXHDFCHLKARTL-UHFFFAOYSA-N 206.201 1.487 5 50 BDBA in-vitro O=c1oc2ccc([N+](=O)[O-])cc2c2nsnc12 207226 VRBJJHWBWFFKKR-UHFFFAOYSA-N 249.207 1.706 5 50 BDBA CC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 4783085 GZZZQLBCXJQUHD-SSDOTTSWSA-N 208.217 1.792 5 50 BDBA CCOC(=O)c1ccc(N)cc1[N+](=O)[O-] 14982114 YOMQIQZTFBDFSR-UHFFFAOYSA-N 210.189 1.354 5 50 BDBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C 4583113 OELUEDJZQDFFIN-UHFFFAOYSA-N 223.232 1.997 5 50 BDBA N[C@@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1 1235006 JVQPVKJZKRICRR-QMMMGPOBSA-N 210.189 1.069 5 50 BDBA in-vitro COCC(=O)Nc1cccc([N+](=O)[O-])c1 318413 SDMUCJMMXQIJMS-UHFFFAOYSA-N 210.189 1.180 5 50 BDBA COc1cc(N)c([N+](=O)[O-])cc1Br 34484035 JYXJPWNTXBYKMD-UHFFFAOYSA-N 247.048 1.948 5 50 BDBA Cc1c(C(=O)C(=O)O)cccc1[N+](=O)[O-] 725261804 IRNAXTKQLFBGBP-UHFFFAOYSA-N 209.157 1.171 5 50 BDBA CON(C)C(=O)c1ccc([N+](=O)[O-])cc1 4866472 PBWDDHAYEOGPMA-UHFFFAOYSA-N 210.189 1.228 5 50 BDBA in-vitro COC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 4893708 VTATWAAUIITNPU-UHFFFAOYSA-N 226.188 1.782 5 50 BDBA CC1(C)N(O)c2ccc([N+](=O)[O-])cc2[N+]1=O 334156994 YROAHXNAMAFYNJ-UHFFFAOYSA-N 224.196 1.951 5 50 BDBA CCc1cc(C(=O)O)c(N)c([N+](=O)[O-])c1 5064500 PHWUPVLTCADCTF-UHFFFAOYSA-N 210.189 1.438 5 50 BDBA O=[N+]([O-])c1ccnc(Br)c1O 167182690 GFZHPRIYEQZWSF-UHFFFAOYSA-N 218.994 1.458 5 50 BDBA COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 160571 ZUZYMTBOKNSYEB-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])cc1NC(N)=S 2528160 XIOYSXKDIDOGPF-UHFFFAOYSA-N 227.245 1.259 5 50 BDBA in-vitro N#CCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1 101940 ZWZKUNREHKUYKW-UHFFFAOYSA-N 244.210 1.084 5 50 BDBA COC(=O)COc1ccccc1[N+](=O)[O-] 120463 DCTZWJFKYORNHV-UHFFFAOYSA-N 211.173 1.147 5 50 BDBA in-vitro CCOc1cc([N+](=O)[O-])ccc1C(=O)O 2583737 BSIOETYGDXDWBR-UHFFFAOYSA-N 211.173 1.692 5 50 BDBA in-vitro O=[N+]([O-])c1cc(Cl)ccc1N1CCNCC1 3877852 NZFQOXSALNTRDH-UHFFFAOYSA-N 241.678 1.658 5 50 BDBA COc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] 142975578 BKYHMDNLFGUECN-UHFFFAOYSA-N 216.124 1.651 5 50 BDBA O=[n+]1c2ccccc2n(O)c2ccc(O)cc21 334157127 ZZFSNMKWKQWQQK-UHFFFAOYSA-O 229.215 1.652 5 50 BDBA CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 219896 AHRMWHXLRKSNJE-VMPITWQZSA-N 220.228 1.744 5 50 BDBA CC(C)CCNC(=O)c1[nH]ncc1[N+](=O)[O-] 12284972 RNIHHEIFJLWFDZ-UHFFFAOYSA-N 226.236 1.094 5 50 BDBA CCOC(=O)C[C@@H](N)c1cccc([N+](=O)[O-])c1 53995073 VDXTZDRXJICHPV-SNVBAGLBSA-N 238.243 1.548 5 50 BDBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1 3953475 IAJDSUYFELYZCS-UHFFFAOYSA-N 208.217 1.431 5 50 BDBA in-vitro Cn1nc([N+](=O)[O-])nc1Oc1ccccc1F 528739 HZUOUSAGAHJDRC-UHFFFAOYSA-N 238.178 1.655 5 50 BDBA NC(=O)c1cccc([N+](=O)[O-])c1Br 1691164 TXFBJRKUCSPKPD-UHFFFAOYSA-N 245.032 1.456 5 50 BDBA CCOC(=O)[C@H](C[N+](=O)[O-])c1ccccc1 4760069 HPSXSPNCILFZKH-SNVBAGLBSA-N 223.228 1.610 5 50 BDBA CC1(c2ccc([N+](=O)[O-])cc2)OCCO1 3029995 HHXVQNVADPECCD-UHFFFAOYSA-N 209.201 1.814 5 50 BDBA O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)CN1 91692854 DFSONBFTQBLUGR-MRVPVSSYSA-N 206.201 1.198 5 50 BDBA in-vitro COC(=O)c1scc([N+](=O)[O-])c1NC(C)=O 4085877 MOABQEABDWBTFK-UHFFFAOYSA-N 244.228 1.401 5 50 BDBA CC(C)(CO)NC(=O)c1ccccc1[N+](=O)[O-] 4782645 RIVIODQCJJXJNC-UHFFFAOYSA-N 238.243 1.096 5 50 BDBA CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 4015674 RAUBZYQVBHPQPD-UHFFFAOYSA-N 223.232 1.095 5 50 BDBA CCN(CC)c1c([N+](=O)[O-])ccc2nonc12 4093871 HFMRXOHJHOHJPZ-UHFFFAOYSA-N 236.231 1.977 5 50 BDBA Cc1cc(O[C@@H](C)C(=O)O)ccc1[N+](=O)[O-] 6271200 WOWVFMALMORJJS-ZETCQYMHSA-N 225.200 1.755 5 50 BDBA in-vitro CCOC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 1605944 NYBPNCZBAGRYQA-QMMMGPOBSA-N 239.227 1.925 5 50 BDBA CCOC(=O)[C@@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 3080808 QLEAKRPFCAMLIY-NXEZZACHSA-N 237.211 1.598 5 50 BDBA Cc1[nH]c(=O)c(Br)cc1[N+](=O)[O-] 21981968 TZYNRASKYAQOML-UHFFFAOYSA-N 233.021 1.354 5 50 BDBA Nc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-] 5510640 ZXGOZLMDKSUORL-UHFFFAOYSA-N 210.086 1.733 5 50 BDBA in-vitro O=C(NCc1ccco1)c1ccc([N+](=O)[O-])o1 66721 ZGMGSSRLZJYOKH-UHFFFAOYSA-N 236.183 1.711 5 50 BDBA COc1ccc([N+](=O)[O-])cc1-c1cc[nH]n1 125341 DJMNYCFMAWZWEQ-UHFFFAOYSA-N 219.200 1.994 5 50 BDBA COc1ccc(C(=O)n2cccn2)cc1[N+](=O)[O-] 1052425 KZIUNASFQHGWIE-UHFFFAOYSA-N 247.210 1.488 5 50 BDBA O=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 3883836 LIHKXKQSXJAHBN-UHFFFAOYSA-N 236.227 1.244 5 50 BDBA in-vitro O=CNc1nc(-c2coc([N+](=O)[O-])c2)cs1 333723 JWIDTZSGGZLDLE-UHFFFAOYSA-N 239.212 1.880 5 50 BDBA NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 4181848 WNYWPPUDAKYNIZ-UHFFFAOYSA-N 245.032 1.456 5 50 BDBA in-vitro O=C1CCCc2ccc([N+](=O)[O-])cc2N1 4202779 SSTQWTAKTYMLTB-UHFFFAOYSA-N 206.201 1.870 5 50 BDBA O=[N+]([O-])c1cccc(C2[N@]3CCC[N@@]23)c1 1857524619 UTMXLMJYPPUYLQ-RYUDHWBXSA-N 205.217 1.530 5 50 BDBA Cc1cc(O[C@H]2CNOC2)ccc1[N+](=O)[O-] 241287460 LLLRDKYPZRMHJR-VIFPVBQESA-N 224.216 1.185 5 50 BDBA C[C@H](O)CN(C)Cc1c(F)cccc1[N+](=O)[O-] 131301482 BDGCMRRYFVAERK-QMMMGPOBSA-N 242.250 1.547 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])c(O)cc1F 97447134 MIYOJWIYWUTYKP-UHFFFAOYSA-N 201.109 1.138 5 50 BDBA CC(=O)Nc1cc(F)c(F)c(F)c1[N+](=O)[O-] 261508625 VJTQAKMQWIWCHN-UHFFFAOYSA-N 234.133 1.971 5 50 BDBA in-vitro CCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 172563 CHAQFGDMQHQHMK-UHFFFAOYSA-N 229.257 1.779 5 50 BDBA Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 3877849 HBBXESCZZLQWHM-UHFFFAOYSA-N 223.232 1.014 5 50 BDBA Cc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1 3885882 BHSSXQLSMUDQIV-UHFFFAOYSA-N 232.195 1.333 5 50 BDBA Cc1[nH]nc(C(=O)c2ccccc2)c1[N+](=O)[O-] 71773322 ULQFFQMJUARPQM-UHFFFAOYSA-N 231.211 1.857 5 50 BDBA CC(C)(C)OC(=O)N1CC[C@H]([N+](=O)[O-])C1 75824218 QDLAHUFDHRJWOE-ZETCQYMHSA-N 216.237 1.273 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(O)c(Br)c1O 169725169 RBZPILPWQWFMNE-UHFFFAOYSA-N 234.005 1.769 5 50 BDBA CC[C@H](C(=O)O)n1nc([N+](=O)[O-])cc1C 2535198 PLDJFKIGCVPYLK-ZCFIWIBFSA-N 213.193 1.135 5 50 BDBA CCCOc1cc(C=O)cc([N+](=O)[O-])c1O 71864132 XOTMRYLMVFWNPI-UHFFFAOYSA-N 225.200 1.902 5 50 BDBA in-vitro COC(=O)C(C)(C)n1cc([N+](=O)[O-])c(C)n1 309150170 RRNRDMIVNVNMJH-UHFFFAOYSA-N 227.220 1.008 5 50 BDBA N#CNC(=N)Nc1ccc([N+](=O)[O-])cc1 22203600 UVDGHZJLCLWFAV-UHFFFAOYSA-N 205.177 1.012 5 50 BDBA COC(=O)c1ccc(/C=C/[N+](=O)[O-])cc1 473718 CZVMCLFJQCOHGX-VOTSOKGWSA-N 207.185 1.721 5 50 BDBA Cc1cccc([N+](=O)[O-])c1C(=O)C(=O)O 725261898 MMOZUWLZQPMAHS-UHFFFAOYSA-N 209.157 1.171 5 50 BDBA Cc1c([N+](=O)[O-])cccc1[S@@](=O)O 125984150 WTGUMQVHGNAELM-UHFFFAOYSA-N 201.203 1.484 5 50 BDBA CCOC(=O)c1c(F)cccc1[N+](=O)[O-] 47202857 AQTBBISJVNTXEV-UHFFFAOYSA-N 213.164 1.911 5 50 BDBA in-vitro CC(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 19871190 QEMGEQGGFGUWTR-UHFFFAOYSA-N 231.211 1.983 5 50 BDBA C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1cnn(C)c1 273640717 SDIGQXYRDJRERW-SSDOTTSWSA-N 248.246 1.291 5 50 BDBA C[C@H](CNc1cccnc1[N+](=O)[O-])c1ncc[nH]1 1775986783 ZLYSLDPOOVODIV-MRVPVSSYSA-N 247.258 1.929 5 50 BDBA O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 4743013 OMVRRHJJQILIJX-UHFFFAOYSA-N 212.117 1.201 5 50 BDBA biogenic,in-vitro N[C@@H](Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O 44283818 UANMRKQAHHCMDR-ZETCQYMHSA-N 244.634 1.203 5 50 BDBA Cn1cc(Br)cc([N+](=O)[O-])c1=O 44682113 VFWZQRFZMKHGOY-UHFFFAOYSA-N 233.021 1.056 5 50 BDBA in-vitro CCOC(=O)Cc1ccc([N+](=O)[O-])cc1 83187 DWDRNKYLWMKWTH-UHFFFAOYSA-N 209.201 1.700 5 50 BDBA in-vitro CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 3898578 QGKTYGXOBZLUPZ-UHFFFAOYSA-N 238.199 1.324 5 50 BDBA Nc1nc(-c2cccc([N+](=O)[O-])c2)ns1 12336610 BCMGBDCJXLAHBJ-UHFFFAOYSA-N 222.229 1.696 5 50 BDBA CS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 16158655 KEHWURDASSIIAC-UHFFFAOYSA-N 219.193 1.137 5 50 BDBA in-vitro CCCNC(=O)c1ccc([N+](=O)[O-])cc1 1761046 MDRVSZJDSUDYGP-UHFFFAOYSA-N 208.217 1.735 5 50 BDBA CCOC(=O)[C@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 3080809 QLEAKRPFCAMLIY-ZJUUUORDSA-N 237.211 1.598 5 50 BDBA Cc1cc([N+](=O)[O-])c(Cl)cc1-n1cnnn1 1431600 GRCATVOONKYEQC-UHFFFAOYSA-N 239.622 1.532 5 50 BDBA CC(C)[C@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O 58235300 UBWNWQCPTMSACN-SNVBAGLBSA-N 236.227 1.950 5 50 BDBA O=[N+]([O-])c1ccc(OC(F)(F)F)c(CO)c1 142908700 FQIKSGAPTKHNIT-UHFFFAOYSA-N 237.133 1.986 5 50 BDBA COC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 90513762 YXDYHFYQRLFAFN-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA in-vitro Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 375246 RSKNJQADPMXGLF-UHFFFAOYSA-N 205.173 1.953 5 50 BDBA in-vitro O=[N+]([O-])c1c(Cl)nc2sccn12 983356 VLASBESFPINWKH-UHFFFAOYSA-N 203.610 1.957 5 50 BDBA in-vitro Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1C(=O)O 2580845 JLANLQYZMDREKU-UHFFFAOYSA-N 240.171 1.818 5 50 BDBA Nc1c(Br)cccc1[N+](=O)[O-] 15021413 KKMOSYLWYLMHAL-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA Cc1ccn(-c2n[nH]c(C)c2[N+](=O)[O-])n1 6657322 JVQQVKXTIHJKKW-UHFFFAOYSA-N 207.193 1.120 5 50 BDBA CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 83795546 PQDQTVQPFUKKHI-UHFFFAOYSA-N 214.608 1.608 5 50 BDBA C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 263753518 SWHRJNCRTDBFSS-QMMMGPOBSA-N 207.233 1.836 5 50 BDBA CC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 3850581 ZPHONNSYOVXZDJ-UHFFFAOYSA-N 223.184 1.569 5 50 BDBA biogenic Cn1nc(C(=O)O)c2cc([N+](=O)[O-])ccc21 95742832 LTGCETNXDDEADX-UHFFFAOYSA-N 221.172 1.180 5 50 BDBA in-vitro COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 11225170 YSAHAGVMRONZEL-UHFFFAOYSA-N 236.227 1.956 5 50 BDBA in-vitro Nc1cc(N2CCCC2)c(F)cc1[N+](=O)[O-] 5063744 UWYIGJBZSJVDAA-UHFFFAOYSA-N 225.223 1.916 5 50 BDBA O=[N+]([O-])c1cccc([C@@H]2[N@@]3CCC[N@@]23)c1 1857524618 UTMXLMJYPPUYLQ-CNDDSTCGSA-N 205.217 1.530 5 50 BDBA CNC(=O)c1ccc([N+](=O)[O-])cc1Cl 102082 JJHDDZVTQOVWRK-UHFFFAOYSA-N 214.608 1.608 5 50 BDBA in-vitro O=C(O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 1397309 YPKLOOQBMQJXKS-UHFFFAOYSA-N 233.183 1.479 5 50 BDBA in-vitro O=Cc1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2505988 IORXPXHWLUWMKB-UHFFFAOYSA-N 221.172 1.245 5 50 BDBA CC[C@@H](C(=O)O)n1nc([N+](=O)[O-])cc1C 2732024 PLDJFKIGCVPYLK-LURJTMIESA-N 213.193 1.135 5 50 BDBA O=Cc1ccc(Cn2ccc([N+](=O)[O-])n2)o1 2557859 QSMMCMFMKWQZQG-UHFFFAOYSA-N 221.172 1.245 5 50 BDBA COC(=O)Cc1cccc(OC)c1[N+](=O)[O-] 32221199 ANKUBXLKAKXKLI-UHFFFAOYSA-N 225.200 1.319 5 50 BDBA in-vitro O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 4244818 KOYVJIGBLQRTRF-UHFFFAOYSA-N 233.183 1.683 5 50 BDBA Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1 300137 OOGXXKVDQXBTEZ-UHFFFAOYSA-N 216.200 1.634 5 50 BDBA O=[N+]([O-])c1cc(C2OCCCO2)ccc1O 35812668 BTPRJICVNPYLTP-UHFFFAOYSA-N 225.200 1.736 5 50 BDBA Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 336586744 DIZXSGZXXGNWCV-UHFFFAOYSA-N 203.201 1.995 5 50 BDBA CN(N)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4269013 GBBAZCATUSUQOJ-UHFFFAOYSA-N 235.165 1.924 5 50 BDBA in-vitro COC(=O)c1cc(O)cc([N+](=O)[O-])c1C 79006879 FDEBUJNUWWJENQ-UHFFFAOYSA-N 211.173 1.395 5 50 BDBA COCCCNC(=O)c1cccc([N+](=O)[O-])c1 5511701 VMDRPLGJTQBPSW-UHFFFAOYSA-N 238.243 1.361 5 50 BDBA Cc1csc(Cn2ccnc2[N+](=O)[O-])n1 863949153 MUIMPVOGZHEBIU-UHFFFAOYSA-N 224.245 1.605 5 50 BDBA CC(C)(CO)Nc1ncccc1[N+](=O)[O-] 20324460 SMQDTERAAKSETI-UHFFFAOYSA-N 211.221 1.173 5 50 BDBA in-vitro O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2F)N1 90292 QGDNPJMOWINWST-MWLCHTKSSA-N 238.218 1.422 5 50 BDBA O=[N+]([O-])c1cc[n+]([O-])c2[nH]cc(C(F)(F)F)c12 238790025 OFDBYGKJZOPJKS-UHFFFAOYSA-N 247.132 1.728 5 50 BDBA Cn1c(=O)c2c(O)cc(=O)oc2c2ccccc21 5730929 JLMOERHCVYAGDG-UHFFFAOYSA-N 243.218 1.351 5 50 BDBA biogenic Nc1cc(-c2cccc([N+](=O)[O-])c2)no1 11851098 NGNUZXQASHTALT-UHFFFAOYSA-N 205.173 1.832 5 50 BDBA in-vitro CCOC(=O)c1cccc(O)c1[N+](=O)[O-] 35877357 JWXWRQIFDGAONZ-UHFFFAOYSA-N 211.173 1.477 5 50 BDBA in-vitro O=[N+]([O-])c1ccc([C@H]2OCN3COC[C@H]23)cc1 33292812 DBDXAJVSKWAGLH-GHMZBOCLSA-N 236.227 1.282 5 50 BDBA Cc1nc([N+](=O)[O-])c(Br)[nH]1 4311295 YOJYWZSEUWUYAQ-UHFFFAOYSA-N 205.999 1.389 5 50 BDBA in-vitro Cc1cc([N+](=O)[O-])c2[nH]c3c(c2c1)CCNC3=O 1511153 YXDVIHYKRHSINU-UHFFFAOYSA-N 245.238 1.670 5 50 BDBA CCn1c(=O)ccc2cc([N+](=O)[O-])ccc21 245007 MQDFWIDPJVANIL-UHFFFAOYSA-N 218.212 1.930 5 50 BDBA CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 4782832 OSXYCGNYYDVLSQ-ZETCQYMHSA-N 208.217 1.792 5 50 BDBA Cn1cnc([N+](=O)[O-])c1C(=O)Nc1ccccc1 229955 CVVXHOYCYLFWIH-UHFFFAOYSA-N 246.226 1.581 5 50 BDBA COc1ccc(-n2cnc([N+](=O)[O-])c2)cc1 22018736 CGCJNDPEXRIJAR-UHFFFAOYSA-N 219.200 1.789 5 50 BDBA C[N+](C)(C)CC1(C[N+](C)(C)C)CCCC1 825093259 CDSIXADCMCOAEF-UHFFFAOYSA-N 214.397 1.959 5 50 BDBA COc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC 3882241 WFDHPWTYKOAFBJ-UHFFFAOYSA-N 228.160 1.520 5 50 BDBA in-vitro CCOC(=O)Cc1cc(F)c(F)cc1[N+](=O)[O-] 263622828 BGHBLVQGSJMUDU-UHFFFAOYSA-N 245.181 1.979 5 50 BDBA O=C(O)c1ncc(-c2ccc([N+](=O)[O-])cc2)cn1 675070424 YDVHSWOWZGIWMJ-UHFFFAOYSA-N 245.194 1.750 5 50 BDBA O=[N+]([O-])c1cn(Cc2ccc(F)cc2)cn1 179287 LLBADCKDSZVYBL-UHFFFAOYSA-N 221.191 1.979 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(N2CC=CCC2)nc1 20413927 HPZNZWNXRPQLTI-UHFFFAOYSA-N 205.217 1.756 5 50 BDBA O=C(O)Cn1ccc2c([N+](=O)[O-])cccc21 70569116 NPSQOXKHSLXLLS-UHFFFAOYSA-N 220.184 1.634 5 50 BDBA Cc1cc([N+](=O)[O-])c2nc(Cl)cc(=O)n2c1 725243927 BMFNPPNIABICKW-UHFFFAOYSA-N 239.618 1.565 5 50 BDBA Cc1n[nH]c(-n2cnc3ccccc32)c1[N+](=O)[O-] 4730319 DXASHZWNXUQFFF-UHFFFAOYSA-N 243.226 1.965 5 50 BDBA COc1cccc(CC(=O)O)c1[N+](=O)[O-] 32190583 DWCSLSQNQCMBLA-UHFFFAOYSA-N 211.173 1.231 5 50 BDBA in-vitro CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 113702075 ICMSULXWPCNBEJ-UHFFFAOYSA-N 212.180 1.484 5 50 BDBA O=[N+]([O-])c1cccc2c1=C1C(Cl)=CC=C1C=2 439422 AUAJVFWTQRHITA-UHFFFAOYSA-N 231.638 1.602 5 50 BDBA O=[N+]([O-])c1cnn(Cc2cccc(F)c2)c1 2597795 JEDQGIUMSHIRIH-UHFFFAOYSA-N 221.191 1.979 5 50 BDBA O=[N+]([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O 64633620 UPOHJPYGIYINKG-UHFFFAOYSA-N 229.104 1.117 5 50 BDBA in-vitro O=[N+]([O-])c1cnn2cc(Br)cnc12 1094002 CVNKNIPAWYTDAX-UHFFFAOYSA-N 243.020 1.400 5 50 BDBA in-vitro COC(=O)c1c(F)ccc(F)c1[N+](=O)[O-] 328578050 PSZJMAZVCNQMSH-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA CC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 100084126 UUFHFNDYTYXICJ-UHFFFAOYSA-N 207.185 1.757 5 50 BDBA in-vitro CC(C)(C(N)=O)c1ccc([N+](=O)[O-])cc1 71773985 OTSWCWRXBCHWAE-UHFFFAOYSA-N 208.217 1.358 5 50 BDBA Cc1cc([N+](=O)[O-])ccc1C(=O)C(=O)O 725261818 JBVNUGQGTRSMKL-UHFFFAOYSA-N 209.157 1.171 5 50 BDBA COc1ncc([N+](=O)[O-])cc1Br 8698189 VRCSBPXFYAADHQ-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA in-vitro C[C@H](O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 237558 IVFGODDNHJTTBF-YFKPBYRVSA-N 207.189 1.524 5 50 BDBA in-vitro OCC[N+]1(Cc2ccccc2)CCCC1 403669 ZSUIRFXWXNZTCL-UHFFFAOYSA-N 206.309 1.790 5 50 BDBA Nc1c(Cl)nnc(Cl)c1[N+](=O)[O-] 39339482 YFPAFTNZJFLJNW-UHFFFAOYSA-N 208.992 1.274 5 50 BDBA in-vitro CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 5307386 CEACJWKXHXRINK-UHFFFAOYSA-N 224.216 1.952 5 50 BDBA CN(C)c1ncc(Cl)cc1[N+](=O)[O-] 95496009 ZVOKEOADEACZOZ-UHFFFAOYSA-N 201.613 1.709 5 50 BDBA O=[N+]([O-])c1ccc(Cn2cccn2)cc1 614333 ZFWQFBNNHCBSFT-UHFFFAOYSA-N 203.201 1.840 5 50 BDBA in-vitro CC(=O)NSc1ccc([N+](=O)[O-])cc1 3124959 YFTLMECPGRPJPQ-UHFFFAOYSA-N 212.230 1.738 5 50 BDBA O=C(O)/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 28259 MZRKEXUFISGDKS-SNAWJCMRSA-N 236.183 1.174 5 50 BDBA Nc1ncc(Cl)c(Cl)c1[N+](=O)[O-] 71255974 KYVDKOZOAOAFDC-UHFFFAOYSA-N 208.004 1.879 5 50 BDBA in-vitro O=C(O)CCc1ccc(O)c([N+](=O)[O-])c1 2507923 KPJMKEOLALLMDY-UHFFFAOYSA-N 211.173 1.318 5 50 BDBA biogenic,in-vitro CCCCOc1ccc([N+](=O)[O-])cc1C(N)=O 4181847 DJLJQIWVVGCASV-UHFFFAOYSA-N 238.243 1.873 5 50 BDBA Cn1c(=O)oc2cc([N+](=O)[O-])c(Cl)cc21 1582857 PCCVICGSNBYADF-UHFFFAOYSA-N 228.591 1.693 5 50 BDBA O=C(O)Cc1cc(F)cc(F)c1[N+](=O)[O-] 145849402 HINZALAFDDZVQO-UHFFFAOYSA-N 217.127 1.500 5 50 BDBA COc1ccc(/C=C/[N+](=O)[O-])cc1OC 99489 SYJMYDMKPSZMSB-AATRIKPKSA-N 209.201 1.951 5 50 BDBA biogenic,in-vitro Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 54928 OXBDLEXAVKAJFD-UHFFFAOYSA-N 215.230 1.307 5 50 BDBA in-vitro Cc1[nH]nc([N+](=O)[O-])c1Br 1049768 LJUWTSNDTLVFEK-UHFFFAOYSA-N 205.999 1.389 5 50 BDBA COc1nc(N)c([N+](=O)[O-])cc1Br 98180697 RJUQFVVTWROHSV-UHFFFAOYSA-N 248.036 1.343 5 50 BDBA CON(C)C(=O)c1ccccc1[N+](=O)[O-] 8340467 SQMIOPIJBOZJRM-UHFFFAOYSA-N 210.189 1.228 5 50 BDBA in-vitro O=C(O)c1cc([N+](=O)[O-])ccc1N1CCCC1 3884309 RQSZZLSHECUEDX-UHFFFAOYSA-N 236.227 1.893 5 50 BDBA Nc1cc([N+](=O)[O-])ccc1N1CCOCC1 4313716 MONFCTPJGGZWCX-UHFFFAOYSA-N 223.232 1.014 5 50 BDBA Cc1cc(C)c(OCC(=O)O)c([N+](=O)[O-])c1 5007507 LUFAZLKJBJPUSV-UHFFFAOYSA-N 225.200 1.675 5 50 BDBA CC(=O)Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-] 4300935 YTGWKOHORKGMHD-UHFFFAOYSA-N 225.160 1.461 5 50 BDBA in-vitro CCOC(=O)c1ccc(O)cc1[N+](=O)[O-] 345705 GHUFFYRUAHAHQQ-UHFFFAOYSA-N 211.173 1.477 5 50 BDBA CCOc1cc(CO)cc([N+](=O)[O-])c1O 34772843 ZOQLUAXOMCJMKI-UHFFFAOYSA-N 213.189 1.191 5 50 BDBA COc1cc(O)c(C(C)=O)cc1[N+](=O)[O-] 157774 UGMBXUXKKCTLHR-UHFFFAOYSA-N 211.173 1.512 5 50 BDBA COCCOc1cc([N+](=O)[O-])ccc1C 77910365 IVPCOUURCGCOTB-UHFFFAOYSA-N 211.217 1.928 5 50 BDBA CCOC(=O)C(=O)c1ccc([N+](=O)[O-])cc1 2169193 ZFCXKZCKJZFZGR-UHFFFAOYSA-N 223.184 1.341 5 50 BDBA Cc1cc(C)n(-c2ccc([N+](=O)[O-])cn2)n1 1383749 HZNRYZPDTGPQPQ-UHFFFAOYSA-N 218.216 1.792 5 50 BDBA Nc1cc(F)c(C(=O)O)cc1[N+](=O)[O-] 91252322 LUOJJGUZYDDOBW-UHFFFAOYSA-N 200.125 1.014 5 50 BDBA in-vitro C[C@@H](O)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 162659782 MOCVJGILWDNEAU-BDAKNGLRSA-N 237.259 1.197 5 50 BDBA C[N+]1(C)C[C@H]2CC[C@H]1[C@H]1CC[C@H]2[N+](C)(C)C1 101042043 JUUGPMYMGXCLOV-LVEBTZEWSA-N 224.392 1.710 5 50 BDBA N=C(N)SCc1ccc([N+](=O)[O-])s1 96027004 YYBAHOAQPASQBG-UHFFFAOYSA-N 217.275 1.783 5 50 BDBA COC(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1 14985558 VULISSQANNKDCH-UHFFFAOYSA-N 225.156 1.080 5 50 BDBA in-vitro O=C(O)c1cn[nH]c1-c1cccc([N+](=O)[O-])c1 6161194 HIHZVKRTUUSORZ-UHFFFAOYSA-N 233.183 1.683 5 50 BDBA O=C(O)c1c(F)c(F)c(F)c(F)c1[N+](=O)[O-] 2389360 JQGBMYKEWLSLCI-UHFFFAOYSA-N 239.080 1.849 5 50 BDBA in-vitro COc1cc([N+](=O)[O-])ccc1[S@@](=O)O 125983399 MUDNZVBRPJSRBI-UHFFFAOYSA-N 217.202 1.184 5 50 BDBA CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5160590 ZXERTWPNZJETAC-UHFFFAOYSA-N 225.160 1.461 5 50 BDBA O=[N+]([O-])c1ccncc1Br 12969571 CJEWCWSWUUFORD-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA in-vitro O=[N+]([O-])c1c[nH]c(-c2nnc3n2CCCC3)c1 1775986327 LLSMPPDBDHKVJE-UHFFFAOYSA-N 233.231 1.518 5 50 BDBA O=C(CNc1ccc([N+](=O)[O-])cc1)NCC1CC1 253419968 NZOWOKGWDCSPLP-UHFFFAOYSA-N 249.270 1.533 5 50 BDBA Cn1ncc([N+](=O)[O-])c1Br 1097911 KCQAFBHIKMXFNB-UHFFFAOYSA-N 205.999 1.091 5 50 BDBA COc1ccc(C=O)c([N+](=O)[O-])c1OC 3080770 VHXOKHNXAGVMJI-UHFFFAOYSA-N 211.173 1.425 5 50 BDBA COC(=O)CCc1ccc(F)c([N+](=O)[O-])c1 149850100 BBYSSQZSIUKMFI-UHFFFAOYSA-N 227.191 1.840 5 50 BDBA in-vitro C[N+](C)(C)Cn1c(=O)sc2ccccc21 405753 BWEVQJRQTXRMTD-UHFFFAOYSA-N 223.321 1.727 5 50 BDBA COc1cc(C)c(NC(C)=O)c([N+](=O)[O-])c1 5084667 CKJQUJCGUCWUKG-UHFFFAOYSA-N 224.216 1.870 5 50 BDBA in-vitro O=[N+]([O-])c1ccccc1CN1CCC(O)CC1 240144 WTSNTDKLJQABLL-UHFFFAOYSA-N 236.271 1.552 5 50 BDBA CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 5508931 KYGXZUKOCUVJSS-UHFFFAOYSA-N 228.635 1.950 5 50 BDBA Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] 3912739 YKKCGPMTPDGQHC-UHFFFAOYSA-N 232.199 1.759 5 50 BDBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C 4844756 IFIUFCJFLGCQPH-UHFFFAOYSA-N 244.272 1.154 5 50 BDBA in-vitro Cn1c([N+](=O)[O-])cnc1C[C@H](O)c1ccccc1 3091271 XEJAYLYHPVQENE-JTQLQIEISA-N 247.254 1.604 5 50 BDBA O=[N+]([O-])[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 100644342 GJYNUKYVXIQGQH-GDNZZTSVSA-N 218.256 1.394 5 50 BDBA CCOC(=O)c1cc([N+](=O)[O-])cnc1Cl 8698234 OXOWYVJYDSTHGX-UHFFFAOYSA-N 230.607 1.820 5 50 BDBA in-vitro C/C=C/S(=O)(=O)c1ccccc1[N+](=O)[O-] 458866 DYFLJXLKEPEEOF-FARCUNLSSA-N 227.241 1.902 5 50 BDBA CN(C)c1cc(N)c([N+](=O)[O-])cc1Cl 5319202 IEISRCKEUVPSKZ-UHFFFAOYSA-N 215.640 1.896 5 50 BDBA Cc1c([N+](=O)[O-])c[nH]c(=O)c1Br 32914813 JJTIUCLTXGGQCH-UHFFFAOYSA-N 233.021 1.354 5 50 BDBA in-vitro Nc1cc(F)cc([N+](=O)[O-])c1C(=O)O 43220720 QXRCKMMTAQYOLP-UHFFFAOYSA-N 200.125 1.014 5 50 BDBA O=C(O)c1ccc([N+](=O)[O-])c(Cl)n1 987781 WMPMXUCWDZXMEW-UHFFFAOYSA-N 202.553 1.341 5 50 BDBA in-vitro COC(=O)CCC1([N+](=O)[O-])CCCCC1 1692484 AVXYQXCOTAFKQF-UHFFFAOYSA-N 215.249 1.919 5 50 BDBA in-vitro COC(=O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1 12336839 MVYNAWKGJNUDJT-BDAKNGLRSA-N 223.184 1.208 5 50 BDBA C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 8535098 LSDVLXCTMQQSPC-MRVPVSSYSA-N 210.233 1.065 5 50 BDBA CC(=O)C(C(C)=O)c1ccc([N+](=O)[O-])cc1 100415908 IBXXQJNVHFSRAV-UHFFFAOYSA-N 221.212 1.856 5 50 BDBA Cc1c2cccc([N+](=O)[O-])c2cc[n+]1C 270662 YXQIMZWLDUVRCM-UHFFFAOYSA-N 203.221 1.881 5 50 BDBA C[C@@H]1CC(=O)Nc2cc([N+](=O)[O-])ccc2N1 3879796 KIXSJWROHBXXPD-ZCFIWIBFSA-N 221.216 1.737 5 50 BDBA NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3888816 ZKBIYCKAMFKCNV-UHFFFAOYSA-N 249.192 1.984 5 50 BDBA NCCNc1ncc([N+](=O)[O-])cc1Cl 236269950 QRDSDWJJNUWSEW-UHFFFAOYSA-N 216.628 1.014 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(F)cc1F 35333516 KLMBOVOUTOBMLS-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA CCOC(=O)c1c(C)[nH]c([N+](=O)[O-])c1C 315138 SEWAGIRNWAZCNM-UHFFFAOYSA-N 212.205 1.716 5 50 BDBA CC[C@](C)([N+](=O)[O-])[C@](C)(CC)[N+](=O)[O-] 2173707 GVEMMQMBSPOZFY-YUMQZZPRSA-N 204.226 1.877 5 50 BDBA O=C1C=CC(=O)N1c1ccc([N+](=O)[O-])cc1 3957570 CVKDEEISKBRPEQ-UHFFFAOYSA-N 218.168 1.024 5 50 BDBA biogenic,in-vitro O=[N+]([O-])c1cnc(NCc2ccco2)nc1 40454308 CYPIMIBNEDTQGL-UHFFFAOYSA-N 220.188 1.590 5 50 BDBA CCCC(=O)Nc1ncc([N+](=O)[O-])s1 5430605 AFGXQBZUGLBRNH-UHFFFAOYSA-N 215.234 1.790 5 50 BDBA N#CCN(CC#N)C(=O)c1ccccc1[N+](=O)[O-] 103199 HAMCYMMVURTKPL-UHFFFAOYSA-N 244.210 1.084 5 50 BDBA C[C@@H](Nc1ccccc1[N+](=O)[O-])C(=O)O 21951907 ICWPKCBMLYYZRP-ZCFIWIBFSA-N 210.189 1.480 5 50 BDBA O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1O 5813787 YPEUTQKEMPFPKO-UHFFFAOYSA-N 235.155 1.757 5 50 BDBA in-vitro O=c1c([N+](=O)[O-])c(O)[nH]c2ccccc12 8737708 SHZUGBYEPDMAPC-UHFFFAOYSA-N 206.157 1.142 5 50 BDBA in-vitro CC(=O)Nc1ccc(C(C)=O)c(O)c1[N+](=O)[O-] 141520706 HLKPFQKHCTXDDX-UHFFFAOYSA-N 238.199 1.461 5 50 BDBA O=Cc1cc([N+](=O)[O-])ccc1N1CC(F)(F)C1 169725213 HMJTXDOWFUQGOY-UHFFFAOYSA-N 242.181 1.863 5 50 BDBA O=C1OCCN1c1ncc([N+](=O)[O-])s1 71773202 FXPABKOHSHCDJL-UHFFFAOYSA-N 215.190 1.008 5 50 BDBA O=[N+]([O-])c1ccn(Cc2ccc(F)cc2)n1 614319 PYMBCEHDVUAFOI-UHFFFAOYSA-N 221.191 1.979 5 50 BDBA NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 2566112 FPLQCHARENUDSW-UHFFFAOYSA-N 214.608 1.276 5 50 BDBA Nc1c([N+](=O)[O-])c(=O)oc2ccccc12 3895924 FXAVOHDJSAUTTG-UHFFFAOYSA-N 206.157 1.283 5 50 BDBA O=C(O)/C=C/c1cc(F)c(F)cc1[N+](=O)[O-] 263623231 FTMLZTNLBBRTOT-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA CC(=O)Nc1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 5283554 DCDAWUHKQSJFBU-UHFFFAOYSA-N 225.160 1.461 5 50 BDBA Nc1nc(=O)c2cnc3c(F)cccc3c2s1 14988540 KUAOTLYGDDPGDG-UHFFFAOYSA-N 247.254 1.926 5 50 BDBA C[C@@H]1CC(C)(C)[N+]2(CCS(=O)(=O)CC2)C1 1775988877 NRMYGPJDLUHFQG-SNVBAGLBSA-N 232.369 1.050 5 50 BDBA CC(C)(Sc1ccc([N+](=O)[O-])cn1)C(=O)O 12336467 YIJGBDWXQDHCAC-UHFFFAOYSA-N 242.256 1.945 5 50 BDBA O=Cc1cc(Cl)cc([N+](=O)[O-])c1O 12504564 YSDCZOBSHGDCCI-UHFFFAOYSA-N 201.565 1.766 5 50 BDBA in-vitro O=C1NCCc2c1[nH]c1ccc([N+](=O)[O-])cc21 77349 OGWVNBMJFPRUIP-UHFFFAOYSA-N 231.211 1.362 5 50 BDBA biogenic O=CNc1ccc([N+](=O)[O-])cc1Cl 4774641 MYCMEGWPQLBYIA-UHFFFAOYSA-N 200.581 1.817 5 50 BDBA CCOC(=O)[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 252441019 AYAOGAWAISPJGQ-BZPMIXESSA-N 226.340 1.959 5 50 BDBA Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1673682 CDVNZMKTJIBBBV-UHFFFAOYSA-N 226.144 1.510 5 50 BDBA in-vitro CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 151833900 OFUPDBXUEUYCAZ-UHFFFAOYSA-N 222.244 1.664 5 50 BDBA Nc1c(Br)cc([N+](=O)[O-])cc1C=O 224807183 WLZCOZHKZWETRD-UHFFFAOYSA-N 245.032 1.752 5 50 BDBA Cn1c([N+](=O)[O-])cnc1C[C@@H](O)c1ccccc1 1567196 XEJAYLYHPVQENE-SNVBAGLBSA-N 247.254 1.604 5 50 BDBA CCOCCC(=O)Nc1ncc([N+](=O)[O-])s1 4384627 VMERLQNSWWSVEX-UHFFFAOYSA-N 245.260 1.416 5 50 BDBA COC(=O)c1cccc(C=O)c1[N+](=O)[O-] 72233115 NSLOBVGASZUPDO-UHFFFAOYSA-N 209.157 1.194 5 50 BDBA O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC1 335566964 WIWLZBDBUYOKCL-UHFFFAOYSA-N 224.191 1.580 5 50 BDBA CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 170615557 KQSHJPSUHROWMW-UHFFFAOYSA-N 230.245 1.040 5 50 BDBA NCCNc1ccc(Cl)cc1[N+](=O)[O-] 4142170 YXBOGCLCWAUVLV-UHFFFAOYSA-N 215.640 1.619 5 50 BDBA O=[N+]([O-])c1cccc([C@@H]2NCCS2)c1 25630240 NIWRAQIFCGUNIT-SECBINFHSA-N 210.258 1.930 5 50 BDBA COC(=O)c1cc(C)c(N)c([N+](=O)[O-])c1 39084090 DCBDOCUUDHFUSW-UHFFFAOYSA-N 210.189 1.272 5 50 BDBA in-vitro O=C(O)CCNc1ccccc1[N+](=O)[O-] 5002761 WXDJJDQJGGOPIT-UHFFFAOYSA-N 210.189 1.481 5 50 BDBA in-vitro Cc1cc(NCc2ccncn2)ncc1[N+](=O)[O-] 235861549 WKEZDPCIXBGPAA-UHFFFAOYSA-N 245.242 1.700 5 50 BDBA CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 184934867 WVNCPNNOCXZAKM-ZCFIWIBFSA-N 226.207 1.583 5 50 BDBA O=[N+]([O-])c1cccnc1N1CCC2(CC2)C1 588040748 NRNIQIXSMBETLC-UHFFFAOYSA-N 219.244 1.980 5 50 BDBA CC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 22113184 HJPFKIQNBJVASL-UHFFFAOYSA-N 209.157 1.496 5 50 BDBA Cc1[nH]c2c([N+](=O)[O-])cccc2c1CCN 2597442 BMFLABKABJRKKC-UHFFFAOYSA-N 219.244 1.886 5 50 BDBA in-vitro COC(=O)c1nn(C)c2cc([N+](=O)[O-])ccc12 95708084 ZGTKFHNSAMTKIO-UHFFFAOYSA-N 235.199 1.268 5 50 BDBA O=[N+]([O-])c1cccc(C2[N@@]3CCCC[N@]23)c1 1857524868 GDEXTJXCOGKQBM-CHWSQXEVSA-N 219.244 1.920 5 50 BDBA CCOc1cc([N+](=O)[O-])c(OCC)cc1N 5139875 DPXZULKECUHOKO-UHFFFAOYSA-N 226.232 1.974 5 50 BDBA COc1ccc(/C=C/[N+](=O)[O-])c([N+](=O)[O-])c1 2156117 XNLMAMMETMMUJX-SNAWJCMRSA-N 224.172 1.851 5 50 BDBA Cn1nc([N+](=O)[O-])nc1Oc1ccccc1N 528472 WUZQPBRFCWOLAW-UHFFFAOYSA-N 235.203 1.098 5 50 BDBA O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 1883067 OXNIZHLAWKMVMX-UHFFFAOYSA-N 229.104 1.117 5 50 BDBA biogenic,fda Cc1ccccc1Cn1cnc([N+](=O)[O-])n1 4821204 KCXQFPHFIWQJMQ-UHFFFAOYSA-N 218.216 1.543 5 50 BDBA Cn1c(=O)c([N+](=O)[O-])c(O)c2ccccc21 100287224 FOHGVXVVXOXMCO-UHFFFAOYSA-N 220.184 1.152 5 50 BDBA in-vitro O=[N+]([O-])c1cnccc1N1CCC2(CC2)C1 588836523 APQCLTBLSOXKDY-UHFFFAOYSA-N 219.244 1.980 5 50 BDBA COC(=O)CSc1ccccc1[N+](=O)[O-] 1475629 FGUFCSUJOOUIOE-UHFFFAOYSA-N 227.241 1.860 5 50 BDBA in-vitro O=C1NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S1 2891594 OECWHWZPBDGSCP-HWKANZROSA-N 240.196 1.512 5 50 BDBA CC(=O)COc1c([N+](=O)[O-])ccc(F)c1F 4284497 ZJVPAAJHCJMGGL-UHFFFAOYSA-N 231.154 1.841 5 50 BDBA COc1ccc([N+](=O)[O-])c(OC)c1C(=O)O 5210551 YIKBQFPTPKEFSM-UHFFFAOYSA-N 227.172 1.310 5 50 BDBA in-vitro COC(=O)c1c(F)ccc([N+](=O)[O-])c1O 169800326 PPXWZUZQIGTKAF-UHFFFAOYSA-N 215.136 1.226 5 50 BDBA N=C1NC(=O)/C(=C/c2ccccc2[N+](=O)[O-])S1 4996845 LZZUWGCZJRGCQW-YVMONPNESA-N 249.251 1.733 5 50 BDBA Cc1ccc(CN2CCN(C)CC2)cc1[N+](=O)[O-] 71257112 ITORJPNRBFBSSN-UHFFFAOYSA-N 249.314 1.651 5 50 BDBA O=[N+]([O-])c1cccc(-c2cc(O)n[nH]2)c1 5028120 RLSSLPUZGLOKKF-UHFFFAOYSA-N 205.173 1.691 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])cnc1Cl 8698231 IPSMDDVNXJKYRH-UHFFFAOYSA-N 216.580 1.430 5 50 BDBA in-vitro Nc1cc(N2CCOCC2)c(F)cc1[N+](=O)[O-] 5064116 BQLAISVDXGXTNA-UHFFFAOYSA-N 241.222 1.153 5 50 BDBA O=[N+]([O-])c1ncccc1N1CCSC1 169725777 HDRKUDSMTKSOPS-UHFFFAOYSA-N 211.246 1.501 5 50 BDBA Cc1[nH]n(-c2ccccc2)c(=O)c1[N+](=O)[O-] 100277881 NMWHQZMIFHSGTN-UHFFFAOYSA-N 219.200 1.382 5 50 BDBA CN(c1cc(N)c([N+](=O)[O-])cn1)C1CC1 669383066 WYNWYAXUDNRLJY-UHFFFAOYSA-N 208.221 1.171 5 50 BDBA COC(=O)CCc1cccc([N+](=O)[O-])c1 84922729 NOVBKWKVTOTPTB-UHFFFAOYSA-N 209.201 1.700 5 50 BDBA in-vitro O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCC1 95348035 OMHWRPXRSLOMDS-UHFFFAOYSA-N 235.243 1.616 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(SC[C@H](O)CO)c(F)c1 86659958 HMBKICHTQFZGDI-SSDOTTSWSA-N 247.247 1.179 5 50 BDBA Cc1c([N+](=O)[O-])c(O)cc(O)c1[N+](=O)[O-] 198727561 CKTMNURUXQGJQN-UHFFFAOYSA-N 214.133 1.223 5 50 BDBA COC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 157114 ZCRNIIJXDRYWDU-UHFFFAOYSA-N 225.156 1.080 5 50 BDBA in-vitro O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 1707954 PCTFIHOVQYYAMH-UHFFFAOYSA-N 246.562 1.855 5 50 BDBA in-vitro O=[N+]([O-])c1ccc2ncnc(S)c2c1 18188033 VRGOEFZHYLFLCI-UHFFFAOYSA-N 207.214 1.827 5 50 BDBA CCNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 3123741 GPYGUPLVSOWCPG-SNVBAGLBSA-N 210.233 1.238 5 50 BDBA O=Cc1ccccc1OCn1cc([N+](=O)[O-])cn1 71325852 OOTNRWLHOQKJJB-UHFFFAOYSA-N 247.210 1.640 5 50 BDBA O=[N+]([O-])c1ncc(F)cc1Br 146288174 CUABRVCGKZGKNT-UHFFFAOYSA-N 220.985 1.891 5 50 BDBA in-vitro CC(C)(C)OC(=O)N1CCC[C@@H]([N+](=O)[O-])C1 72194214 GSYKFOZNUUEUBY-MRVPVSSYSA-N 230.264 1.663 5 50 BDBA COC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 20357522 ZJFONSIKILEGMQ-UHFFFAOYSA-N 230.607 1.617 5 50 BDBA in-vitro O=[N+]([O-])c1cc2c(cc1-n1ccnc1)OCCO2 15107588 MNPACLWGEWTYAW-UHFFFAOYSA-N 247.210 1.552 5 50 BDBA Cc1nn(C[C@H](C)C(=O)O)c(C)c1[N+](=O)[O-] 2534232 DFANDWKEUBXWKL-YFKPBYRVSA-N 227.220 1.129 5 50 BDBA CN(C)CCn1cc2cc([N+](=O)[O-])ccc2n1 4050547 YFCPXZBWEHDOEW-UHFFFAOYSA-N 234.259 1.506 5 50 BDBA Cc1ccc(C(=O)C(=O)O)cc1[N+](=O)[O-] 139131447 MBYYFRAFEQGYEX-UHFFFAOYSA-N 209.157 1.171 5 50 BDBA O=[N+]([O-])[C@]1(Br)CCSC1 958527577 ABBMUOZZVITOSB-SCSAIBSYSA-N 212.068 1.491 5 50 BDBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1C 1735377 ZTRNPQZQIALYJT-UHFFFAOYSA-N 231.229 1.458 5 50 BDBA Nc1nc2cc3ccccc3cc2[nH]c1=O 336311 GWHZWPHANZRJDN-UHFFFAOYSA-N 211.224 1.659 5 50 BDBA CCOc1ccc([N+](=O)[O-])cc1C(=O)OC 35333570 ALHAOIFZKFHHAJ-UHFFFAOYSA-N 225.200 1.780 5 50 BDBA in-vitro C[C@@H]1CC(C)(C)C[N+]12CCS(=O)(=O)CC2 1775988899 OSLTTXCQKRZUQW-SNVBAGLBSA-N 232.369 1.050 5 50 BDBA CCOC(=O)Nc1cccnc1[N+](=O)[O-] 3878866 XGALXMZZDNGYGW-UHFFFAOYSA-N 211.177 1.558 5 50 BDBA O=[N+]([O-])c1nccn1Cc1csc(Cl)n1 702691802 PIMQNQXMSKGSHT-UHFFFAOYSA-N 244.663 1.950 5 50 BDBA O=[N+]([O-])/C=C/Nc1cc([N+](=O)[O-])ccc1O 33509398 ULCBXFMUMXRWSE-ONEGZZNKSA-N 225.160 1.460 5 50 BDBA COc1ccc([N+](=O)[O-])cc1N1C(=O)C=CC1=O 273939 RQSBMFYAHQPZGS-UHFFFAOYSA-N 248.194 1.033 5 50 BDBA COCc1cc(OC)c(OC)cc1[N+](=O)[O-] 2874469 ROMCGRIODBQANN-UHFFFAOYSA-N 227.216 1.758 5 50 BDBA O=[N+]([O-])c1ccccc1N1CCOCC1 4299807 WABXKOMDIQWGKF-UHFFFAOYSA-N 208.217 1.431 5 50 BDBA Nc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] 4343986 CLMQUEQFVUMDPC-UHFFFAOYSA-N 217.568 1.739 5 50 BDBA CC(C)(N)CNc1ncc([N+](=O)[O-])cc1Cl 227651698 NNXKBTLUEFZAKH-UHFFFAOYSA-N 244.682 1.792 5 50 BDBA CNc1nc(-c2ccncc2)ncc1[N+](=O)[O-] 4089886 UGPUHQMXWQXECB-UHFFFAOYSA-N 231.215 1.489 5 50 BDBA N[C@H](Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O 44283820 UANMRKQAHHCMDR-SSDOTTSWSA-N 244.634 1.203 5 50 BDBA CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 2164774 FRDCRCKHAAQIRU-UHFFFAOYSA-N 209.205 1.688 5 50 BDBA Nc1c(F)c(N)c([N+](=O)[O-])c(F)c1F 19910277 HGYLISKVTLKRJJ-UHFFFAOYSA-N 207.111 1.177 5 50 BDBA CN(c1ccccc1)c1ncnc(N)c1[N+](=O)[O-] 3912618 BDQASVLPAXWGNY-UHFFFAOYSA-N 245.242 1.735 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])ccc1NC(C)=O 4284629 HAKPLTBAUCAFMV-UHFFFAOYSA-N 238.199 1.340 5 50 BDBA in-vitro O=C(O)C[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 156546 HGBMGRXIQJGDDO-QMMMGPOBSA-N 239.183 1.238 5 50 BDBA CN(C)C(=O)Oc1cccc([N+](=O)[O-])c1 464598 ABXVZVIOAYTALB-UHFFFAOYSA-N 210.189 1.655 5 50 BDBA CC(C)(O)Cn1ncc([N+](=O)[O-])c1Cl 95698513 OETUVPICMZBUQE-UHFFFAOYSA-N 219.628 1.216 5 50 BDBA in-vitro COc1cc(/C=C/[N+](=O)[O-])ccc1OC(C)=O 431513 OTVNMEHTSLGKMY-AATRIKPKSA-N 237.211 1.868 5 50 BDBA O=[N+]([O-])c1ccc([C@H]2NCCS2)cc1 19911750 FMRGPMCASSSEHQ-VIFPVBQESA-N 210.258 1.930 5 50 BDBA in-vitro C[C@@H]1Oc2ccc([N+](=O)[O-])cc2NC1=O 2519656 JIRMEYNXGZSORX-YFKPBYRVSA-N 208.173 1.314 5 50 BDBA in-vitro C[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O 40377461 CWZLOWGUBYYQFV-ZETCQYMHSA-N 209.201 1.858 5 50 BDBA O=C(O)c1cc(O)c(F)cc1[N+](=O)[O-] 50019233 XEQZNNJOVGASTE-UHFFFAOYSA-N 201.109 1.138 5 50 BDBA in-vitro O=C(O)c1cc2cc([N+](=O)[O-])cnc2[nH]1 32914868 WYVYATUJBANZIN-UHFFFAOYSA-N 207.145 1.169 5 50 BDBA in-vitro CCOC(=O)[C@H]1O[C@H]1c1ccccc1[N+](=O)[O-] 3080811 QLEAKRPFCAMLIY-UWVGGRQHSA-N 237.211 1.598 5 50 BDBA CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C 4016573 FNGVDDLTALTXPK-SSDOTTSWSA-N 220.228 1.892 5 50 BDBA O=[N+]([O-])c1ccc(-n2ccnc2)c(F)c1 4632300 SPRGMIFFQVXJSZ-UHFFFAOYSA-N 207.164 1.920 5 50 BDBA CCOC(=O)Cc1ccc([N+](=O)[O-])cc1F 74937742 OMYSNVCRTKUTTK-UHFFFAOYSA-N 227.191 1.840 5 50 BDBA in-vitro O=[N+]([O-])c1c(NC2CC2)ncnc1NC1CC1 4350580 FLGGCPMESVOKFW-UHFFFAOYSA-N 235.247 1.533 5 50 BDBA C[C@H]1CC(=O)N(C)c2cc([N+](=O)[O-])ccc2N1 4622963 ORKMIGLGUAICGQ-ZETCQYMHSA-N 235.243 1.762 5 50 BDBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)O 6249493 OYYFEDUOOFSUGM-LURJTMIESA-N 211.173 1.447 5 50 BDBA in-vitro Cc1ncc([N+](=O)[O-])n1C(=O)c1ccccc1 452005 QZGOGWXRZBFZSK-UHFFFAOYSA-N 231.211 1.788 5 50 BDBA CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1656365 WPVVWLXGHXMNMA-UHFFFAOYSA-N 244.272 1.283 5 50 BDBA COc1cc(F)cc(C(=O)O)c1[N+](=O)[O-] 95628789 JKBWWRZRHVTZAW-UHFFFAOYSA-N 215.136 1.441 5 50 BDBA in-vitro CCOC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 195043820 RWIQATBLPMUMEB-UHFFFAOYSA-N 239.231 1.232 5 50 BDBA O=C(O)COc1ccc([N+](=O)[O-])cc1Cl 1713690 FYZKTYNLLVGHSM-UHFFFAOYSA-N 231.591 1.712 5 50 BDBA COC(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 1761786 MIIADZYPHVTLPR-UHFFFAOYSA-N 225.156 1.080 5 50 BDBA in-vitro NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 1669832 GUDFEGXIJXTNJG-UHFFFAOYSA-N 245.578 1.255 5 50 BDBA CCn1c(=O)c([N+](=O)[O-])c(O)c2ccccc21 100152397 RKZDBJLZURXMRV-UHFFFAOYSA-N 234.211 1.635 5 50 BDBA O=[N+]([O-])c1cccn2c(C(F)(F)Cl)nnc12 1383725 OFVADVSJEJGKEG-UHFFFAOYSA-N 248.576 1.926 5 50 BDBA CCCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] 95495991 QFCVJPWYAKLCNM-UHFFFAOYSA-N 239.231 1.598 5 50 BDBA CC(C)(C)OC(=O)n1cnc([N+](=O)[O-])c1 90469415 OAUBECNLEORJTN-UHFFFAOYSA-N 213.193 1.575 5 50 BDBA CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C 4016574 FNGVDDLTALTXPK-ZETCQYMHSA-N 220.228 1.892 5 50 BDBA CC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 156297 BQONDGIXVHVIIR-UHFFFAOYSA-N 209.157 1.526 5 50 BDBA in-vitro CNc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 4688273 UMABMSCNOKYNCJ-UHFFFAOYSA-N 237.259 1.473 5 50 BDBA COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 265854 OYWDFLIPTKVKKY-UHFFFAOYSA-N 225.156 1.110 5 50 BDBA biogenic CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3877860 GZNDUKANJZIZOT-UHFFFAOYSA-N 221.260 1.347 5 50 BDBA in-vitro O=C(Cn1cnc([N+](=O)[O-])c1)c1ccccc1 49637 ZKEOVKGHTCQAKY-UHFFFAOYSA-N 231.211 1.674 5 50 BDBA O=C(Cn1cnc([N+](=O)[O-])n1)c1cccs1 98221 GFXFAGAEKYLMNV-UHFFFAOYSA-N 238.228 1.131 5 50 BDBA Cn1ccnc1C(=O)c1ccc([N+](=O)[O-])cc1 15937690 JQVQTYAQIFLRCI-UHFFFAOYSA-N 231.211 1.559 5 50 BDBA O=[N+]([O-])c1cc([S@@](=O)O)ccc1F 163110032 SUQGHHDSHAJKME-UHFFFAOYSA-N 205.166 1.315 5 50 BDBA O=[N+]([O-])c1ccc([C@@H]2OCOC[C@H]2O)cc1 31379 JEAGEBJAKVKMBE-ZJUUUORDSA-N 225.200 1.001 5 50 BDBA CCOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1640294 DSABESMCWFGGNQ-UHFFFAOYSA-N 242.187 1.745 5 50 BDBA O=[N+]([O-])[C@]12c3ccccc3N[C@@H]1N1C=CO[C@H]12 829030121 SFMXJKOCOJUINV-OUAUKWLOSA-N 231.211 1.053 5 50 BDBA O=C(O)[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] 4037105 RQFITJCVQDONTL-QMMMGPOBSA-N 237.215 1.043 5 50 BDBA in-vitro Nc1nc2c(O)cc([N+](=O)[O-])cc2s1 355937 UBWOTKJTWBBNMA-UHFFFAOYSA-N 211.202 1.492 5 50 BDBA C[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2n1C 40102 FEZKCWBNANSUJS-ZCFIWIBFSA-N 221.216 1.535 5 50 BDBA C[C@@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12 3877832 VWUXWRWIZJOJRF-MRVPVSSYSA-N 247.254 1.936 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F 90513185 KLHGRWQHRLWLEB-UHFFFAOYSA-N 235.117 1.799 5 50 BDBA O=C(O)c1ccnc(Cl)c1[N+](=O)[O-] 4473036 ADPCJMUNRPBSCO-UHFFFAOYSA-N 202.553 1.341 5 50 BDBA in-vitro Cc1cc(=O)oc2c([N+](=O)[O-])c(O)ccc12 35189279 BGUBUSIGKOWDPO-UHFFFAOYSA-N 221.168 1.715 5 50 BDBA biogenic Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](O)C1 40452429 FKVCIHPSYXPYPU-LLVKDONJSA-N 236.271 1.864 5 50 BDBA O=[N+]([O-])c1cncn1Cc1ccccc1 14909837 ORVKJGIRFOONOE-UHFFFAOYSA-N 203.201 1.840 5 50 BDBA Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] 4329314 RAGRTYREMCPEIV-UHFFFAOYSA-N 201.113 1.224 5 50 BDBA in-vitro O=[N+]([O-])c1cc(Cl)[n+]([O-])c(Cl)c1 1722624 LWOLKOLHQCMQDE-UHFFFAOYSA-N 208.988 1.535 5 50 BDBA in-vitro COc1cc(O)c(C=O)c(OC)c1[N+](=O)[O-] 4016003 CYTTXCKYBVUEAP-UHFFFAOYSA-N 227.172 1.130 5 50 BDBA O=[N+]([O-])[C@H]1CCC[C@H]2[C@H]1CCC[C@H]2[N+](=O)[O-] 4533138 QTKVEILORHUNPS-YNFQOJQRSA-N 228.248 1.877 5 50 BDBA Nc1cc(Br)c([N+](=O)[O-])cn1 71255966 SRZJCTZTDMZTOF-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro CCOC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] 5324893 MNCRNVWKPACLHP-UHFFFAOYSA-N 238.199 1.096 5 50 BDBA CCNCCNc1ccc([N+](=O)[O-])cc1 4543840 CFDAXWLTQQMKRJ-UHFFFAOYSA-N 209.249 1.616 5 50 BDBA COc1cc(C(=O)O)c(C)cc1[N+](=O)[O-] 59232378 ZGKYHGDVUJUNOW-UHFFFAOYSA-N 211.173 1.610 5 50 BDBA in-vitro COC(=O)c1cc([N+](=O)[O-])c(N)s1 39085126 QNZKSILGWVCZJH-UHFFFAOYSA-N 202.191 1.025 5 50 BDBA in-vitro COCCOc1ccc([N+](=O)[O-])c(C(=O)O)c1 19396070 KIIRJRFGMLKNOI-UHFFFAOYSA-N 241.199 1.318 5 50 BDBA COC(=O)c1cccc(C(=O)O)c1[N+](=O)[O-] 14985561 NUULGBPUCNUUQD-UHFFFAOYSA-N 225.156 1.080 5 50 BDBA in-vitro Nc1ccc2c(c1)[n+](=O)c1ccccc1n2O 377722230 IGILMAZMTQEEDE-UHFFFAOYSA-N 228.231 1.529 5 50 BDBA Cn1ccc2c([N+](=O)[O-])cccc2c1=O 1508243 ZJFKSSNHLIRRHQ-UHFFFAOYSA-N 204.185 1.447 5 50 BDBA CC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 3134347 QGSVIIVTOWWDFI-QMMMGPOBSA-N 209.201 1.951 5 50 BDBA COc1ccc([N+](=O)[O-])cc1[C@@H]1NCCS1 19799895 CJQXHJXRUMTNGT-SNVBAGLBSA-N 240.284 1.938 5 50 BDBA CC(C)NC(=O)c1noc2cc([N+](=O)[O-])ccc12 1385512 NTUDNLUTHZWQHO-UHFFFAOYSA-N 249.226 1.874 5 50 BDBA CCOC(=O)c1cc(F)ccc1[N+](=O)[O-] 34590704 LNFCVLHYTOGQEK-UHFFFAOYSA-N 213.164 1.911 5 50 BDBA Cc1cccc(C)c1C[N+]12CCN(CC1)CC2 161291330 PNUNJEFZVKKVTR-UHFFFAOYSA-N 231.363 1.949 5 50 BDBA C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CO1 4529445 PUBTVFBOTFDPTA-LLVKDONJSA-N 237.211 1.541 5 50 BDBA CN(C)CCn1cnc2cc([N+](=O)[O-])ccc21 4710052 DGVOOVHBCHKPFI-UHFFFAOYSA-N 234.259 1.506 5 50 BDBA COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 52018841 PTZVWKVAXNDAIR-UHFFFAOYSA-N 220.184 1.863 5 50 BDBA O=[N+]([O-])c1cc2nc(O)[nH]c2cc1Cl 34319767 LMGOHSUBTHHMHD-UHFFFAOYSA-N 213.580 1.830 5 50 BDBA O=[N+]([O-])c1ccc(Cn2ccnc2)c(F)c1 334190021 HIEGUEKNICUPLM-UHFFFAOYSA-N 221.191 1.979 5 50 BDBA CCOC(=O)Cc1cc(F)cc(F)c1[N+](=O)[O-] 263624297 PBUFVVVRNFLFFN-UHFFFAOYSA-N 245.181 1.979 5 50 BDBA O=Cc1ccc2c([N+](=O)[O-])ccc(O)c2n1 2555571 UPHRIPALSZTGGX-UHFFFAOYSA-N 218.168 1.661 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])cc1[C@H]1NCCS1 19799896 CJQXHJXRUMTNGT-JTQLQIEISA-N 240.284 1.938 5 50 BDBA O=c1cc(O)c2c(=O)oc3ccccc3c2o1 2897678 SEUYEPDUKPAJOJ-UHFFFAOYSA-N 230.175 1.605 5 50 BDBA biogenic O=[N+]([O-])c1ccc(N2CCC[C@H](CO)C2)nc1 19757819 JUHTWNDQTIGHFJ-VIFPVBQESA-N 237.259 1.199 5 50 BDBA CC(C)(C)OC(=O)N1CCC[C@H]([N+](=O)[O-])C1 72194213 GSYKFOZNUUEUBY-QMMMGPOBSA-N 230.264 1.663 5 50 BDBA COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1591845 NVXKMHUNXMXXDM-QPJJXVBHSA-N 207.185 1.781 5 50 BDBA in-vitro O=[N+]([O-])c1ccccc1N1CCCNCC1 3877857 KKGIQPLUVKLSNV-UHFFFAOYSA-N 221.260 1.395 5 50 BDBA in-vitro COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 20134081 HAFCSCBORMDMFL-UHFFFAOYSA-N 225.200 1.319 5 50 BDBA O=C(O)/C=C/c1cc([N+](=O)[O-])cc(F)c1F 263623140 FAEBGVPWSVHUBL-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])c(F)cc1F 2527709 MDFSGDMPHMKKGB-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA in-vitro CN(C)CC(=O)Nc1cccc([N+](=O)[O-])c1 4976653 PWLKNRFKDZFDRW-UHFFFAOYSA-N 223.232 1.095 5 50 BDBA O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC1 261494411 WXSNOZARNSICCG-UHFFFAOYSA-N 236.227 1.536 5 50 BDBA Nc1ncnc(NC2CCCCC2)c1[N+](=O)[O-] 3912514 OWXVKTCIXVBWKL-UHFFFAOYSA-N 237.263 1.712 5 50 BDBA C[C@@H](N)CNc1ccc([N+](=O)[O-])c2cccnc12 3998835 URZDYCPQPIZOHT-MRVPVSSYSA-N 246.270 1.902 5 50 BDBA COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 21418701 LJOUDGUKJXHDQH-UHFFFAOYSA-N 239.183 1.153 5 50 BDBA CC[C@@H]1Oc2ccc([N+](=O)[O-])cc2NC1=O 39332602 LPYHRYFOSFRFGE-QMMMGPOBSA-N 222.200 1.704 5 50 BDBA O=[N+]([O-])c1ccc(CSC[C@H](O)CO)cc1 86660306 BJEPXDAZPNBFRN-SNVBAGLBSA-N 243.284 1.181 5 50 BDBA COc1ccc([N+](=O)[O-])c(CC(=O)O)c1 35569387 QBRHCFNZQWZEQM-UHFFFAOYSA-N 211.173 1.231 5 50 BDBA in-vitro Nc1nc2ccc3ccccc3c2c(=O)[nH]1 16953494 ZMIUJNZPUYHCIH-UHFFFAOYSA-N 211.224 1.659 5 50 BDBA O=C(O)c1cc(C(=O)O)c([N+](=O)[O-])cc1Cl 346060 FHRHHHKGMXUKJD-UHFFFAOYSA-N 245.574 1.645 5 50 BDBA CCOC(=O)c1[nH]nc([N+](=O)[O-])c1Cl 4587897 IZEOMSPIIJWRLT-UHFFFAOYSA-N 219.584 1.148 5 50 BDBA O=[N+]([O-])c1cc(Cl)cc(C2=NCCN2)c1 611769 FLISSBAZLKRANS-UHFFFAOYSA-N 225.635 1.598 5 50 BDBA O=c1c([N+](=O)[O-])c[nH]c2c(F)c(F)ccc12 390822136 JZIVWOYVHCMPQN-UHFFFAOYSA-N 226.138 1.715 5 50 BDBA COC(=O)c1sccc1CC[N+](=O)[O-] 334296 CQHUHSXDVQPPNU-UHFFFAOYSA-N 215.230 1.354 5 50 BDBA COC(=O)c1cc(OC)ccc1[N+](=O)[O-] 2567040 UAPJKEJWOPOJJY-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA in-vitro CN(C)CCOc1ccccc1[N+](=O)[O-] 4915087 NKOUICYJAYSNCC-UHFFFAOYSA-N 210.233 1.535 5 50 BDBA CC1(c2ccc(F)c([N+](=O)[O-])c2)OCCO1 170614008 DAKZEISGQYHKRR-UHFFFAOYSA-N 227.191 1.953 5 50 BDBA CCN(c1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O 241287078 LJRLJYLXTSFUER-LLVKDONJSA-N 249.270 1.310 5 50 BDBA CCOC(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1 63361150 BNIKYBDDYIQCEB-JTQLQIEISA-N 238.243 1.028 5 50 BDBA in-vitro CCn1cc(Cn2cc([N+](=O)[O-])cn2)c(C)n1 2538925 PEDRFEUKJQXHKP-UHFFFAOYSA-N 235.247 1.364 5 50 BDBA CC(=O)Nc1cc([N+](=O)[O-])ccc1N(C)C 32254099 TZSQCGFTOHIDIB-UHFFFAOYSA-N 223.232 1.619 5 50 BDBA in-vitro COC[C@H](C)NCc1cccc([N+](=O)[O-])c1 4133274 BVFCWIVZJMNHLS-VIFPVBQESA-N 224.260 1.719 5 50 BDBA in-vitro CCS(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 476195 IFXZPFANGGCBEG-UHFFFAOYSA-N 244.272 1.665 5 50 BDBA O=Cc1ccc2cc([N+](=O)[O-])ccc2n1 1526650 BOUDHYSDNNTOQD-UHFFFAOYSA-N 202.169 1.956 5 50 BDBA O=c1c([N+](=O)[O-])cccn1Cc1cscn1 225539092 UIFOJRRJNWJRHJ-UHFFFAOYSA-N 237.240 1.261 5 50 BDBA CCN(C(C)=O)c1ccc([N+](=O)[O-])cc1 4353216 POGUNGMMMFNPOE-UHFFFAOYSA-N 208.217 1.968 5 50 BDBA COc1cc(OC)c([N+](=O)[O-])cc1C(=O)O 35333708 RECRLCHPXXOYHZ-UHFFFAOYSA-N 227.172 1.310 5 50 BDBA C[N+]1([C@@H]2CC[C@H]3CC[C@H]2[C@H]3O)CCCC1 239432733 WFYRTMMCIGPRMC-LPWJVIDDSA-N 210.341 1.776 5 50 BDBA C[N+](C)(C)CCCC[N+]1(C)CCCC1 1775970934 KVBDVTWVOSUDRP-UHFFFAOYSA-N 200.370 1.713 5 50 BDBA O=[N+]([O-])c1cccc(-c2nc(S)n[nH]2)c1 2479848 HCOKKYWOAPKADT-UHFFFAOYSA-N 222.229 1.669 5 50 BDBA Nc1ncc([N+](=O)[O-])cc1C(F)(F)F 82046555 RWDUIGPQGQPWDC-UHFFFAOYSA-N 207.111 1.591 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(CN2CCC[C@H]2CO)cc1 212995 DVGSEEFTCOOVQE-LBPRGKRZSA-N 236.271 1.552 5 50 BDBA COc1cc2c(cc1[N+](=O)[O-])O[C@H](C)C2 4137200 USEPRRGOEDINQZ-ZCFIWIBFSA-N 209.201 1.927 5 50 BDBA COCCOc1ccc(F)c([N+](=O)[O-])c1 205257723 HCMHCKQAYFJGJN-UHFFFAOYSA-N 215.180 1.759 5 50 BDBA Cc1nc([N+](=O)[O-])cn1-c1cccc(O)c1 236024 CZJGPLCXFYDSLC-UHFFFAOYSA-N 219.200 1.795 5 50 BDBA O=C(O)C1CN(c2ccccc2[N+](=O)[O-])C1 70569437 IVELCXUDFCVTMA-UHFFFAOYSA-N 222.200 1.116 5 50 BDBA in-vitro COc1cc(C(=O)O)c(Cl)cc1[N+](=O)[O-] 83228260 OJMMHUJTCVSTMS-UHFFFAOYSA-N 231.591 1.955 5 50 BDBA in-vitro CON(C)C(=O)c1cccc([N+](=O)[O-])c1F 169800322 WVYULRHXHFWCGB-UHFFFAOYSA-N 228.179 1.367 5 50 BDBA O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)on1 25757533 GBRSPKXOFRTAHS-UHFFFAOYSA-N 234.167 1.948 5 50 BDBA in-vitro COc1ccc([C@H](C[N+](=O)[O-])OC)cc1OC 2170189 SDEXXXYTUGUWOT-NSHDSACASA-N 241.243 1.668 5 50 BDBA O=[N+]([O-])c1cnc2c(c1)CC1(CC2)OCCO1 148175859 YTLJVHOQFMQFGV-UHFFFAOYSA-N 236.227 1.222 5 50 BDBA CON(C)C(=O)Cc1ccccc1[N+](=O)[O-] 47219211 NKUGNZIURPJOCM-UHFFFAOYSA-N 224.216 1.157 5 50 BDBA in-vitro O=Cc1cc(N2CC(F)(F)C2)ccc1[N+](=O)[O-] 169725298 UJMAZWIYEPEJAU-UHFFFAOYSA-N 242.181 1.863 5 50 BDBA CNc1ccc(C(=O)OC)cc1[N+](=O)[O-] 5363664 RUJMPEWZLDVEAV-UHFFFAOYSA-N 210.189 1.423 5 50 BDBA in-vitro C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1 3877869 UBLZWKCJZSDBGQ-NXEZZACHSA-N 235.287 1.781 5 50 BDBA CN(C)CCCOc1cccc([N+](=O)[O-])c1 4868659 VEEOXWZNKODMQL-UHFFFAOYSA-N 224.260 1.925 5 50 BDBA O=[N+]([O-])c1ccc(N2CCCCC2)nc1 19638425 RQPFYHQIEVITPC-UHFFFAOYSA-N 207.233 1.980 5 50 BDBA in-vitro O=CNc1ccc(Cl)cc1[N+](=O)[O-] 4774895 RJIDVUKZZDBNPQ-UHFFFAOYSA-N 200.581 1.817 5 50 BDBA Cn1ccnc1C(=O)c1cccc([N+](=O)[O-])c1 3268036 CFHYMNXKRADXDK-UHFFFAOYSA-N 231.211 1.559 5 50 BDBA in-vitro COC(=O)c1c(F)cc(F)cc1[N+](=O)[O-] 169800334 MZKMMSJMNZHRTJ-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA C/C=C(\C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 12495938 WURBQCVBQNMUQT-OLKPEBQYSA-O 244.311 1.045 5 50 BDBA endogenous,in-man COc1cc(C(=O)O)cc([N+](=O)[O-])c1OC 6667014 GQNSKXYALDGGGN-UHFFFAOYSA-N 227.172 1.310 5 50 BDBA in-vitro O=C(O)c1cnc(Br)cc1[N+](=O)[O-] 225823677 DXCCKVXDMGBPDN-UHFFFAOYSA-N 247.004 1.451 5 50 BDBA CC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] 178132243 UZTKXJPCDNHRRC-VIFPVBQESA-N 249.270 1.221 5 50 BDBA CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 443967 WDJVYCKTYBDNBF-QPJJXVBHSA-N 206.201 1.354 5 50 BDBA N=c1ccccn1Cc1ccc([N+](=O)[O-])cc1 12360536 IHBMFEJMJUQGIK-UHFFFAOYSA-N 229.239 1.924 5 50 BDBA CCOC(=O)Cc1ccc([N+](=O)[O-])nc1 118818338 ASKOALZZOBHQNZ-UHFFFAOYSA-N 210.189 1.095 5 50 BDBA COC(=O)Cc1ccc([N+](=O)[O-])c(C)c1 34145829 GYUDCBWIPGOCFS-UHFFFAOYSA-N 209.201 1.619 5 50 BDBA O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)nc1 169725771 NVRVOKRQAUPYOJ-UHFFFAOYSA-N 229.186 1.835 5 50 BDBA C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])C(=O)O 2325854054 MFKALKZBGFEQIK-YFKPBYRVSA-N 243.194 1.262 5 50 BDBA C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)N1 3877873 WJUYWKJVECSDQD-UWVGGRQHSA-N 235.287 1.781 5 50 BDBA CC(=O)Nc1cccc([N+](=O)[O-])c1C(=O)O 5160936 HHNTZMHFBQIQAK-UHFFFAOYSA-N 224.172 1.251 5 50 BDBA in-vitro Cc1ccc(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1 6272407 QWOCFVIACPYANN-ZETCQYMHSA-N 225.200 1.755 5 50 BDBA in-vitro CC(C)CNc1ncnc(N)c1[N+](=O)[O-] 3912483 UPWPKSOBPKKEFL-UHFFFAOYSA-N 211.225 1.035 5 50 BDBA O=C(O)/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1 4952139 AZVWYXUTXSTOQY-WAYWQWQTSA-N 236.183 1.174 5 50 BDBA CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1 157339 RJGYARAKIVLQAQ-UHFFFAOYSA-N 230.607 1.820 5 50 BDBA in-vitro C[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 839735257 ZNRDSQJNWNFYCL-UKKRHICBSA-N 240.303 1.737 5 50 BDBA Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(Cl)cc21 4769707 LWWKJTPDNAEDJA-UHFFFAOYSA-N 241.634 1.439 5 50 BDBA COCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 149959 YQFLEZMVFWIWNJ-UHFFFAOYSA-N 240.215 1.188 5 50 BDBA COc1ccc([N+](=O)[O-])c(C(C)=O)c1F 22009530 MYAJTCUTOOXOPG-UHFFFAOYSA-N 213.164 1.945 5 50 BDBA O=C(O)C(=O)c1ccc(F)cc1[N+](=O)[O-] 725261690 CBIYXJMTHPRZEK-UHFFFAOYSA-N 213.120 1.001 5 50 BDBA O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1 191481 GQNALVKRKIRGKF-VIFPVBQESA-N 224.241 1.456 5 50 BDBA CCOC(=O)[C@H](CC)n1nc([N+](=O)[O-])cc1C 2731929 DMDORBHFKTUDCE-QMMMGPOBSA-N 241.247 1.614 5 50 BDBA COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC 1081136 WWCMFGBGMJAJRX-UHFFFAOYSA-N 227.172 1.310 5 50 BDBA biogenic,in-vitro Cc1nn(C)c(Sc2ncco2)c1[N+](=O)[O-] 242048121 VSYKVJAXCTYZSF-UHFFFAOYSA-N 240.244 1.776 5 50 BDBA COC(=O)C[C@H](N)c1ccc([N+](=O)[O-])cc1 95093382 JGLLZWBBGQKLKV-VIFPVBQESA-N 224.216 1.158 5 50 BDBA CCOC(=O)c1cnc(C)c([N+](=O)[O-])c1 96372372 WQJCHEKAIFDWTN-UHFFFAOYSA-N 210.189 1.475 5 50 BDBA in-vitro C[C@H](O)[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 162659454 MOCVJGILWDNEAU-DTWKUNHWSA-N 237.259 1.197 5 50 BDBA O=[N+]([O-])c1ccc(F)cc1N1CCOCC1 35567321 WGIOZRONRHUWEM-UHFFFAOYSA-N 226.207 1.571 5 50 BDBA in-vitro Cn1cc(Br)c([N+](=O)[O-])n1 2257400 KWJOMJLANYBBDV-UHFFFAOYSA-N 205.999 1.091 5 50 BDBA in-vitro O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2ccccc2)N1 1301200 GAGVVGLUMJMUDP-GXSJLCMTSA-N 220.228 1.283 5 50 BDBA CCOC(=O)CC(=O)c1cccc([N+](=O)[O-])c1 133327 DSOJMGUVLXTQSE-UHFFFAOYSA-N 237.211 1.731 5 50 BDBA in-vitro CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] 12336557 MDUFKGRSLMVNCE-UHFFFAOYSA-N 224.216 1.813 5 50 BDBA in-vitro Cc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)O 675057725 LTYJETZDWBBTEF-UHFFFAOYSA-N 238.155 1.849 5 50 BDBA CC(=O)c1cc2ccc([N+](=O)[O-])cc2oc1=O 195128 RNXQGRCOCFLGCM-UHFFFAOYSA-N 233.179 1.904 5 50 BDBA biogenic COCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 4699134 LESLIVBJUAWNHQ-UHFFFAOYSA-N 240.215 1.188 5 50 BDBA COC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC 150864 HVVQDBFINNUQBK-UHFFFAOYSA-N 241.199 1.399 5 50 BDBA CCCNC(=O)c1ccc([N+](=O)[O-])cn1 95495965 JKSFSCZUYIRIOH-UHFFFAOYSA-N 209.205 1.130 5 50 BDBA COC(=O)c1cc(OC)c(F)c([N+](=O)[O-])c1 261508818 XGBXDFAPUUAAHB-UHFFFAOYSA-N 229.163 1.529 5 50 BDBA in-vitro Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 3888828 AFALZDMHQHIVNC-UHFFFAOYSA-N 210.189 1.338 5 50 BDBA in-vitro CC(C)(C)Nc1nc(O)nc(O)c1[N+](=O)[O-] 253512439 FOPSDZYLAUNYRY-UHFFFAOYSA-N 228.208 1.006 5 50 BDBA CC(C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1 306438 CRJGCGMJTZVKNB-UHFFFAOYSA-N 238.243 1.096 5 50 BDBA O=C(O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)O 188648 JOIBGDDMIIHRSZ-UHFFFAOYSA-N 237.167 1.147 5 50 BDBA O=C(O)CCOc1ccc([N+](=O)[O-])cc1 1605127 RRQDYEMTBDVXQY-UHFFFAOYSA-N 211.173 1.448 5 50 BDBA in-vitro CNc1c(C(=O)OC)cccc1[N+](=O)[O-] 117987574 PUJFWFKWWCVKMO-UHFFFAOYSA-N 210.189 1.423 5 50 BDBA in-vitro O=C(Cn1ccnc1)c1ccc([N+](=O)[O-])cc1 19595447 SBPGWXSTCFNGPY-UHFFFAOYSA-N 231.211 1.674 5 50 BDBA in-vivo CNc1ccc(Oc2nc([N+](=O)[O-])nn2C)cc1 1058803 BGXBNIKXQGAKTL-UHFFFAOYSA-N 249.230 1.557 5 50 BDBA CNc1nc(-c2cccnc2)ncc1[N+](=O)[O-] 5209346 ZOAOJNBRWGSJGC-UHFFFAOYSA-N 231.215 1.489 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(O)cc1Cl 97757081 WPAOCIDALGLUFF-UHFFFAOYSA-N 231.591 1.740 5 50 BDBA CC(=O)c1ccc(-n2cc([N+](=O)[O-])nn2)cc1 5726470 BIJZZUVUMDOQRQ-UHFFFAOYSA-N 232.199 1.378 5 50 BDBA CC(=O)c1ccc(NCC(=O)O)c([N+](=O)[O-])c1 64037958 KRXLTFNZRIFBMV-UHFFFAOYSA-N 238.199 1.294 5 50 BDBA O=C(O)c1noc2cc([N+](=O)[O-])ccc12 2006360 ZLEFVQVMLIQEOU-UHFFFAOYSA-N 208.129 1.434 5 50 BDBA in-vitro COC(=O)c1cc([N+](=O)[O-])c(F)cc1OC 34081210 LHAVJVZNGLTPCY-UHFFFAOYSA-N 229.163 1.529 5 50 BDBA in-vitro C[C@@H]1SCC[C@]1(Br)[N+](=O)[O-] 958528924 YPBPQHVJAJYWTH-WHFBIAKZSA-N 226.095 1.880 5 50 BDBA CC(C)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 2572323 IGQBPDJNUXPEMT-SNVBAGLBSA-O 246.327 1.125 5 50 BDBA endogenous,in-man CCOC(=O)[C@H](CC)n1cc([N+](=O)[O-])cn1 2731875 WIVVOTBVCOOVIQ-QMMMGPOBSA-N 227.220 1.306 5 50 BDBA O=[N+]([O-])c1ccc(CCO)c([N+](=O)[O-])c1 16697721 AONMTYOVKUOHQP-UHFFFAOYSA-N 212.161 1.038 5 50 BDBA O=c1[nH]cc([N+](=O)[O-])cc1Br 4127424 KWSOHRDMTWDAOI-UHFFFAOYSA-N 218.994 1.046 5 50 BDBA in-vitro C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)N1 3877875 WJUYWKJVECSDQD-NXEZZACHSA-N 235.287 1.781 5 50 BDBA C[C@H]1SCC[C@]1(Br)[N+](=O)[O-] 958528923 YPBPQHVJAJYWTH-UHNVWZDZSA-N 226.095 1.880 5 50 BDBA Cc1cc([N+](=O)[O-])ccc1S(C)(=O)=O 71773809 YMHQJBGKYCHBND-UHFFFAOYSA-N 215.230 1.307 5 50 BDBA in-vitro O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCCS1 1634604589 USWLUGGPXBZSQP-YFKPBYRVSA-N 242.260 1.152 5 50 BDBA N[C@H](CC(=O)O)c1ccccc1[N+](=O)[O-] 161424 XXBOYULKNZTOMN-SSDOTTSWSA-N 210.189 1.069 5 50 BDBA in-vitro Cc1cc(Cn2cc([N+](=O)[O-])c(C)cc2=O)no1 225476396 XIEDKTTXGMYCSJ-UHFFFAOYSA-N 249.226 1.410 5 50 BDBA O=[N+]([O-])c1cc(Br)[n+]([O-])cc1F 79052086 ATFPCLRVCOJQTA-UHFFFAOYSA-N 236.984 1.130 5 50 BDBA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)O 371756 MALMTWYTOBLCBT-LURJTMIESA-N 211.173 1.447 5 50 BDBA in-vitro C[N+]1([C@@H]2CC[C@H]3CC[C@H]2C3=O)CCCC1 105185984 VLPNZOYKFIEKFZ-IJLUTSLNSA-N 208.325 1.985 5 50 BDBA O=[N+]([O-])c1ccccc1/C=C/CN1CCOCC1 23282165 SWIMADJDEAHPAA-HWKANZROSA-N 248.282 1.940 5 50 BDBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1 124903 VGGZQWDRWOXJTA-UHFFFAOYSA-N 236.227 1.067 5 50 BDBA in-vitro NNc1ncc(Br)cc1[N+](=O)[O-] 15021622 HSSPWVIGDQPZEK-UHFFFAOYSA-N 233.025 1.038 5 50 BDBA O=C(N[n+]1ccccc1)c1cccc([N+](=O)[O-])c1 6473475 LVZKXGGGSONWOW-UHFFFAOYSA-O 244.230 1.266 5 50 BDBA CN(C)CCN(C)Cc1ccccc1[N+](=O)[O-] 4947824 OYVUCNQBFQMASK-UHFFFAOYSA-N 237.303 1.588 5 50 BDBA CC(C)(O)CONc1ncccc1[N+](=O)[O-] 225649379 ILCWLAVYBRUUOB-UHFFFAOYSA-N 227.220 1.104 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(N)cc1C 64033524 JWLVSMLOEYNNHO-UHFFFAOYSA-N 210.189 1.272 5 50 BDBA in-vitro Nc1nc2cc(Cl)cc([N+](=O)[O-])c2o1 71981121 HIBJGONRFGFVHY-UHFFFAOYSA-N 213.580 1.972 5 50 BDBA COC(=O)c1ccsc1/C=C/[N+](=O)[O-] 334276 VFLXYWVXWUGXGU-DUXPYHPUSA-N 213.214 1.782 5 50 BDBA O=[N+]([O-])c1cnc(Br)nc1 40448307 LTZZMWXCPNGVNJ-UHFFFAOYSA-N 203.983 1.147 5 50 BDBA in-vitro Cc1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 9461262 QBBNQTCDZWMPAH-UHFFFAOYSA-N 204.185 1.745 5 50 BDBA in-vitro Cc1c(CO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2168812 HLBXFLNVFJFEKD-UHFFFAOYSA-N 212.161 1.304 5 50 BDBA O=[N+]([O-])c1ccc2nnc(C(F)(F)F)n2c1 1383745 ARERAMISBPJMHE-UHFFFAOYSA-N 232.121 1.656 5 50 BDBA COC(=O)c1cccc([N+](=O)[O-])c1NC(C)=O 4284628 PHFRWNCHBPVTJN-UHFFFAOYSA-N 238.199 1.340 5 50 BDBA in-vitro COC(=O)c1c(F)ccc([N+](=O)[O-])c1F 35333564 CIHHBTMZOLRCRL-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1F 85477390 AOHRUGRXVVCAEE-UHFFFAOYSA-N 202.097 1.348 5 50 BDBA in-vitro O=C(O)c1ccc([N+](=O)[O-])cc1Cl 32336 QAYNSPOKTRVZRC-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro O=[N+]([O-])c1ccc([C@@H]2[N@@]3CCC[N@@]23)cc1 1857524965 HSYQQZRQUXJBPH-CNDDSTCGSA-N 205.217 1.530 5 50 BDBA O=C(O)/C=C/C(=O)Nc1ccccc1[N+](=O)[O-] 16009597 LGJRLNBGSCFUBL-AATRIKPKSA-N 236.183 1.174 5 50 BDBA O=C1Nc2c([N+](=O)[O-])cccc2C12CC2 236404554 DJNHPFQNNJDKGZ-UHFFFAOYSA-N 204.185 1.579 5 50 BDBA COC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 456529 RILFCHKBYUGTPR-QMMMGPOBSA-N 238.243 1.360 5 50 BDBA COc1c(C(=O)O)cc(F)cc1[N+](=O)[O-] 38867369 VWXGKPAQTSMYTG-UHFFFAOYSA-N 215.136 1.441 5 50 BDBA O=[N+]([O-])c1ccc(O[C@@H]2CCNC2)cc1 35635954 VPXNWRRWISNHME-SNVBAGLBSA-N 208.217 1.336 5 50 BDBA COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 38236272 RUUDKWNUIUBVTH-UHFFFAOYSA-N 220.184 1.863 5 50 BDBA in-vitro C[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 839735256 ZNRDSQJNWNFYCL-LNFKQOIKSA-N 240.303 1.737 5 50 BDBA COC(=O)c1sc([N+](=O)[O-])cc1NC(C)=O 39343769 DJPJTIGJPWASOS-UHFFFAOYSA-N 244.228 1.401 5 50 BDBA C[N+](C)(C)CCOC(=O)c1ccccc1 125014 HOPVGFKDVOOCHD-UHFFFAOYSA-N 208.281 1.550 5 50 BDBA in-vitro NC1CCN(c2ccccc2[N+](=O)[O-])CC1 5162260 RRZHTNIPNNRZFW-UHFFFAOYSA-N 221.260 1.522 5 50 BDBA in-vitro COC(=O)CSc1ccc([N+](=O)[O-])cc1 1684004 QYSYXPHEBMMRHB-UHFFFAOYSA-N 227.241 1.860 5 50 BDBA O=[N+]([O-])c1ncn(Cc2ccc(F)cc2)n1 614337 YXZAQSWOIBJAGG-UHFFFAOYSA-N 222.179 1.374 5 50 BDBA O=C(NCc1ccccc1)c1cc([N+](=O)[O-])[nH]n1 3833277 ZHMQTMYBLOOCFG-UHFFFAOYSA-N 246.226 1.248 5 50 BDBA O=C(O)c1c(F)ccc([N+](=O)[O-])c1F 265814 PDDHSNODMFIIRV-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA in-vitro O=C(Cn1cnc([N+](=O)[O-])n1)c1ccccc1 49636 BKXFCLQGXYWHEJ-UHFFFAOYSA-N 232.199 1.069 5 50 BDBA Cc1cc(=O)[nH]c2cc3[nH]c(=O)cc(C)c3cc12 71774119 HRULCWAEIVKCTK-UHFFFAOYSA-N 240.262 1.986 5 50 BDBA O=C1NC[C@@H](COc2ccc([N+](=O)[O-])cc2)O1 507179 MYOPNYINKURZDA-VIFPVBQESA-N 238.199 1.082 5 50 BDBA O=C(Nc1ccon1)c1ccccc1[N+](=O)[O-] 4749549 OGHMSZNNYVWCRM-UHFFFAOYSA-N 233.183 1.835 5 50 BDBA CCc1cc(C(=O)O)c(OC)c([N+](=O)[O-])c1 57339085 FERPKRUFQSDWRS-UHFFFAOYSA-N 225.200 1.864 5 50 BDBA Nc1cc(O)c(Br)cc1[N+](=O)[O-] 65336837 IZFUAQAHNPUZGL-UHFFFAOYSA-N 233.021 1.645 5 50 BDBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccnc1 3879111 OPIPFKZJYHMDPN-UHFFFAOYSA-N 244.210 1.637 5 50 BDBA CCc1cc(C(=O)OC)c(OC)c([N+](=O)[O-])c1 57339142 ITJJNIPFNXBNHR-UHFFFAOYSA-N 239.227 1.952 5 50 BDBA O=C(O)Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 8782178 RQQGKHZHIROOGO-UHFFFAOYSA-N 226.144 1.130 5 50 BDBA Cc1cc(S(C)(=O)=O)ccc1[N+](=O)[O-] 38881756 YEONDRKRXPDGTJ-UHFFFAOYSA-N 215.230 1.307 5 50 BDBA CCOC(=O)c1cc(NC)c(F)cc1[N+](=O)[O-] 725261646 ADKWJBZHIQUIPZ-UHFFFAOYSA-N 242.206 1.952 5 50 BDBA Cc1ccc([N+](=O)[O-])c(NCCc2cnn[nH]2)c1 1775985527 JGPAEAWVKCUBNF-UHFFFAOYSA-N 247.258 1.676 5 50 BDBA O=[N+]([O-])c1cccc(CN2CCNCC2)c1 4269403 NPEYPFYIBGIHQW-UHFFFAOYSA-N 221.260 1.000 5 50 BDBA in-vitro CCOC(=O)COc1ccc([N+](=O)[O-])c(C)c1 6046800 XDAQOXGWQBZSPZ-UHFFFAOYSA-N 239.227 1.845 5 50 BDBA CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 113700114 NJHZIGLBBDGKHK-UHFFFAOYSA-N 226.207 1.874 5 50 BDBA Nc1cc(Br)cc([N+](=O)[O-])c1N 36056286 FBPCXPVYWUQREV-UHFFFAOYSA-N 232.037 1.522 5 50 BDBA CC(=O)Oc1cc(C(=O)O)ccc1[N+](=O)[O-] 98213369 CXXFEUYSCNJQFE-UHFFFAOYSA-N 225.156 1.218 5 50 BDBA CCOC(=O)c1cccc(N)c1[N+](=O)[O-] 39084147 IJNYIIHVEXLJGI-UHFFFAOYSA-N 210.189 1.354 5 50 BDBA in-vitro COC(=O)Cc1c([N+](=O)[O-])ccc(F)c1F 97756850 XNZGQNNAKPKEKM-UHFFFAOYSA-N 231.154 1.589 5 50 BDBA O=C(O)Cn1ccc2cc([N+](=O)[O-])ccc21 36925252 DEZZRGNPRLQDCF-UHFFFAOYSA-N 220.184 1.634 5 50 BDBA in-vitro COC(=O)c1ccc([N+](=O)[O-])c(Cl)n1 216634597 GLAHCGFYRJZAGY-UHFFFAOYSA-N 216.580 1.430 5 50 BDBA in-vitro CCOC(=O)/C=C/c1ccc([N+](=O)[O-])o1 477427 WGROOPOBLKUOMN-GQCTYLIASA-N 211.173 1.764 5 50 BDBA COc1ccc([N+](=O)[O-])c(OC)c1F 12471403 GUGQUCUSGQOTGG-UHFFFAOYSA-N 201.153 1.751 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(OC2CCNCC2)c1 14631962 SUSNPUXOGNMBCZ-UHFFFAOYSA-N 222.244 1.726 5 50 BDBA in-vitro COC(=O)c1ccc(C)c([N+](=O)[O-])c1O 32221279 QOZOFWURSWWUCR-UHFFFAOYSA-N 211.173 1.395 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])nc1Br 8737752 ZKEAOLVGPKCNCT-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA in-vitro CCNCCNc1ncc([N+](=O)[O-])cc1Cl 233520147 YNGQDSMFYAMOIY-UHFFFAOYSA-N 244.682 1.665 5 50 BDBA Cn1cc([N+](=O)[O-])cc(Br)c1=O 117944388 TVMGAVXSPUAAJH-UHFFFAOYSA-N 233.021 1.056 5 50 BDBA COC[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] 455689 RGLKBGSREPGOGT-MRVPVSSYSA-N 238.243 1.360 5 50 BDBA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1 4284414 MYPAMGFTHVEING-UHFFFAOYSA-N 219.200 1.707 5 50 BDBA CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 1792 ALWKGYPQUAPLQC-UHFFFAOYSA-N 223.296 1.944 5 50 BDBA fda Cc1nn2c(=O)c3ccccc3[nH]c2c1[N+](=O)[O-] 110434294 YPHMRFZLWXJBQP-UHFFFAOYSA-N 244.210 1.392 5 50 BDBA O=[N+]([O-])c1ccncc1N1CCC(F)(F)C1 169725784 VVIPGCXQQYWIDF-UHFFFAOYSA-N 229.186 1.835 5 50 BDBA CS(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1022045 FUEPSBHBTWUJNP-UHFFFAOYSA-N 234.208 1.105 5 50 BDBA O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC1 9256267 UHEYQOOFVUXABF-UHFFFAOYSA-N 221.216 1.879 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(OC[C@H]2COCCO2)c1 241897342 TXWJBESCZAIPHH-LLVKDONJSA-N 239.227 1.389 5 50 BDBA COc1cc([N+](=O)[O-])c(Cl)cc1N 4280666 POKAEVPBUOLQIY-UHFFFAOYSA-N 202.597 1.839 5 50 BDBA in-vitro CCSCn1c([N+](=O)[O-])cnc1C 330456920 XXKHLWHSFQADIY-UHFFFAOYSA-N 201.251 1.810 5 50 BDBA CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 238314552 BMHPHGHLBLKFBI-UHFFFAOYSA-N 210.189 1.002 5 50 BDBA N[C@@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)O 1768906 WXMIOWSCOYJQOT-QMMMGPOBSA-N 242.256 1.099 5 50 BDBA in-vitro O=c1c([N+](=O)[O-])c[nH]c2ccc(F)cc12 16697960 TURQNAASNNGCEW-UHFFFAOYSA-N 208.148 1.575 5 50 BDBA in-vitro O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1 371817 OXTWOIQMYKKTKJ-UHFFFAOYSA-N 246.226 1.430 5 50 BDBA CC(C)(C)OC(=O)n1ccc([N+](=O)[O-])n1 85224310 AGZUFOMLMOFXKJ-UHFFFAOYSA-N 213.193 1.575 5 50 BDBA O=c1[nH]cnc2c(Cl)cc([N+](=O)[O-])cc12 160091116 DPQYRQZFXFLCQH-UHFFFAOYSA-N 225.591 1.485 5 50 BDBA in-vitro O=C(O)Cc1cc(F)c(F)c([N+](=O)[O-])c1 258231985 QYOSRDTUSAOJBD-UHFFFAOYSA-N 217.127 1.500 5 50 BDBA CCOC(=O)c1cccc([N+](=O)[O-])c1F 47202855 MFXTZNGCDRNCKK-UHFFFAOYSA-N 213.164 1.911 5 50 BDBA in-vitro COc1ncc(Br)cc1[N+](=O)[O-] 8698241 YRVHFGOAEVWBNS-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA in-vitro O=C(O)CCOc1cccc([N+](=O)[O-])c1 11864753 XNYOLXUXRGLEAH-UHFFFAOYSA-N 211.173 1.448 5 50 BDBA in-vitro CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 83795545 UUSAQKJGVGBIIA-UHFFFAOYSA-N 228.635 1.950 5 50 BDBA Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 17354435 XAPNDVNSXWXPJS-UHFFFAOYSA-N 222.229 1.696 5 50 BDBA in-vitro C[C@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1 3137059 URBPRESWNDSZNO-IMTBSYHQSA-N 225.200 1.349 5 50 BDBA COC(=O)c1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-] 3161138 ODNYLVYXOHNFOS-UHFFFAOYSA-N 240.171 1.598 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1[S@@](=O)O 125977128 XLFGQUDZUKUOGG-UHFFFAOYSA-N 205.166 1.315 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(C)cc1O 96029237 NRMDDGRFLBFVDR-UHFFFAOYSA-N 211.173 1.395 5 50 BDBA in-vitro O=C(O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 92430 VZOCWMKJXRWWFI-UHFFFAOYSA-N 235.151 1.399 5 50 BDBA biogenic,in-vitro COc1ccc(NC(C)=O)cc1[N+](=O)[O-] 345478 MYIUWCZXTNZSMN-UHFFFAOYSA-N 210.189 1.562 5 50 BDBA COC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-] 469054 UTEQVEMDYYOJGM-UHFFFAOYSA-N 225.156 1.080 5 50 BDBA in-vitro Nc1ncnc(N2CCCCCC2)c1[N+](=O)[O-] 3912625 QCWSBVOTVQDIKE-UHFFFAOYSA-N 237.263 1.347 5 50 BDBA Cc1ncc(-n2cc([N+](=O)[O-])cn2)cc1C(=O)O 4866910 DZJBKLAFFNZCGB-UHFFFAOYSA-N 248.198 1.182 5 50 BDBA O=c1ccc(=O)c2sc3ccccc3[nH]c1=2 101449077 SABJUIHBGQDXIZ-UHFFFAOYSA-N 229.260 1.675 5 50 BDBA O=C(NC1CC1)c1ccc([N+](=O)[O-])cc1F 54126829 XNINLXJGWUELCN-UHFFFAOYSA-N 224.191 1.626 5 50 BDBA Cc1nc(Cl)c([N+](=O)[O-])cc1C(=O)O 198446705 YSESRTCKYVZXDX-UHFFFAOYSA-N 216.580 1.650 5 50 BDBA COC(=O)c1cc(F)c([N+](=O)[O-])cc1F 8729783 XBUVRWIIEREYFL-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA in-vitro CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 4990185 QXWROCIDLCOGKL-UHFFFAOYSA-N 235.287 1.342 5 50 BDBA COC(=O)c1cc(O)c2cccc([N+](=O)[O-])c2n1 4342663 NOGQBLIKIZVQKT-UHFFFAOYSA-N 248.194 1.635 5 50 BDBA O=[N+]([O-])c1ccc(N2CC[C@H](O)C2)cc1 38844693 KWMXJSMRNOVCDS-JTQLQIEISA-N 208.217 1.166 5 50 BDBA in-vitro O=[N+]([O-])[C@@]1(Br)CCSC1 958527576 ABBMUOZZVITOSB-BYPYZUCNSA-N 212.068 1.491 5 50 BDBA COC[C@H](COc1cccnc1[N+](=O)[O-])OC 585118813 CSVIJUINIRFLAL-MRVPVSSYSA-N 242.231 1.030 5 50 BDBA N=c1[nH]c(N2CC[C@@H]3CCC[C@@H]32)ncc1[N+](=O)[O-] 408361620 HYOCPTFUSKRQNQ-YUMQZZPRSA-N 249.274 1.176 5 50 BDBA Cc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] 43220579 GLIDVOGSKCTART-UHFFFAOYSA-N 200.125 1.951 5 50 BDBA in-vitro C[C@@H](O)CCc1nc2cc([N+](=O)[O-])ccc2[nH]1 4644991 NOTMJBSGRYBWJS-SSDOTTSWSA-N 235.243 1.785 5 50 BDBA CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1[N+](=O)[O-] 4797431 YRABYESZOOOEEL-UHFFFAOYSA-N 239.187 1.770 5 50 BDBA CCOC(=O)Cc1c(OC)cccc1[N+](=O)[O-] 95708164 MTTAECMRWWLBBF-UHFFFAOYSA-N 239.227 1.709 5 50 BDBA CCOC(=O)c1ccc(F)cc1[N+](=O)[O-] 47202859 MTDIULWIFTZWEF-UHFFFAOYSA-N 213.164 1.911 5 50 BDBA in-vitro COC(=O)c1cc(F)c([N+](=O)[O-])c(F)c1 113540637 XXLVODHRRUKGIV-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 240514 QEFNAVWJBZXWHN-UHFFFAOYSA-N 249.314 1.732 5 50 BDBA CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1 1233454 YYGDFKGDBDHNSF-VIFPVBQESA-N 238.243 1.096 5 50 BDBA O=[N+]([O-])c1cnc(Br)cn1 34224181 AODWTNYHOYDRJJ-UHFFFAOYSA-N 203.983 1.147 5 50 BDBA in-vitro Cc1cc(C)c(S(=O)(=O)O)cc1[N+](=O)[O-] 1735382 GNAASVNHWIVVGF-UHFFFAOYSA-N 231.229 1.458 5 50 BDBA COc1cc(/C=C\[N+](=O)[O-])ccc1OC(C)=O 4532493 OTVNMEHTSLGKMY-WAYWQWQTSA-N 237.211 1.868 5 50 BDBA COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 5881304 NWHFCRJVWNLNHP-SSDOTTSWSA-N 209.201 1.871 5 50 BDBA in-vitro COc1cc(Br)cnc1[N+](=O)[O-] 332012 OLWFTDPHNVYMMN-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA COc1cc([N+](=O)[O-])c(C)cc1NC(C)=O 3997847 ACLVOBFSJRPZQD-UHFFFAOYSA-N 224.216 1.870 5 50 BDBA COC(=O)c1cc(C)c(O)c([N+](=O)[O-])c1 149456163 FLYXWUDPPLRBSD-UHFFFAOYSA-N 211.173 1.395 5 50 BDBA CCOC(=O)Cc1cc(F)c(F)c([N+](=O)[O-])c1 260313197 XYMVBBSCAJLNHT-UHFFFAOYSA-N 245.181 1.979 5 50 BDBA CCc1ccc([N+](=O)[O-])cc1[S@@](=O)O 125984444 DNXXIMJYTKHWMU-UHFFFAOYSA-N 215.230 1.738 5 50 BDBA CC(=O)Nc1cc(O)c([N+](=O)[O-])cc1C 606241674 UVJHWLBYRROUEM-UHFFFAOYSA-N 210.189 1.567 5 50 BDBA C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(N)n1 167771353 FSUOOFYAEILBJK-MRVPVSSYSA-N 236.275 1.951 5 50 BDBA O=[N+]([O-])c1ccc(N2CCCCC2)cn1 4004123 YWBNHAYIHYUOHN-UHFFFAOYSA-N 207.233 1.980 5 50 BDBA CC(=O)Nc1cc2cccc([N+](=O)[O-])c2oc1=O 237699 WMOWPQGUZSANTO-UHFFFAOYSA-N 248.194 1.660 5 50 BDBA Cc1cc(OCC(=O)O)ccc1[N+](=O)[O-] 2526123 ZCGFXEDUXQCHRZ-UHFFFAOYSA-N 211.173 1.367 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])cc1CCC(=O)O 1678789 OBOQOWSWYNLBFP-UHFFFAOYSA-N 225.200 1.621 5 50 BDBA CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F 70262949 WEVFQXSTVYAREH-UHFFFAOYSA-N 212.180 1.436 5 50 BDBA c1ccc2c(c1)nc1c3cn[nH]c3nnn21 40385473 DOEQTZUAKCYVCR-UHFFFAOYSA-N 210.200 1.154 5 50 BDBA O=[N+]([O-])c1cccnc1N1CC(N2CCCC2)C1 585093020 YKMWMBKPSACBNL-UHFFFAOYSA-N 248.286 1.274 5 50 BDBA O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1 4754625 ZEQCFSSBZPZEFJ-UHFFFAOYSA-N 226.207 1.571 5 50 BDBA in-vitro Cc1csc(Cn2cc(C)c([N+](=O)[O-])n2)n1 225544544 NJQXZQREAQPIMJ-UHFFFAOYSA-N 238.272 1.913 5 50 BDBA O=[N+]([O-])c1ccccc1-c1nnc(O)o1 1757090 ZJSUVFMYVANOMJ-UHFFFAOYSA-N 207.145 1.350 5 50 BDBA in-vitro O=C(O)c1cc(F)c(F)cc1[N+](=O)[O-] 2569918 HGGRAOYTQNFGGN-UHFFFAOYSA-N 203.100 1.571 5 50 BDBA in-vitro CCC(=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 185153 SGCAVRWAYDAZQQ-LLVKDONJSA-N 223.228 1.997 5 50 BDBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1 3860568 VWOJSRICSKDKAW-UHFFFAOYSA-N 207.233 1.004 5 50 BDBA in-vitro CC(C)(Oc1ccccc1[N+](=O)[O-])C(=O)O 5350655 ONPMYXAEDVOABR-UHFFFAOYSA-N 225.200 1.837 5 50 BDBA in-vitro CC(=O)Nc1c(F)cc(F)c(F)c1[N+](=O)[O-] 4783293 CAJSFXVPIMWHPO-UHFFFAOYSA-N 234.133 1.971 5 50 BDBA in-vitro CCN(CC)C(=O)c1cc(N)cc([N+](=O)[O-])c1 261493398 AHRWEFOBILDOFG-UHFFFAOYSA-N 237.259 1.659 5 50 BDBA O=C(O)C(=O)Cc1c(Cl)cccc1[N+](=O)[O-] 1686235 ZHHGJIKNTVWZTL-UHFFFAOYSA-N 243.602 1.444 5 50 BDBA O=[N+]([O-])c1cnc(NC2CCCC2)nc1 40454318 LXKCNLOKKALBEH-UHFFFAOYSA-N 208.221 1.739 5 50 BDBA Nc1ccnc(Br)c1[N+](=O)[O-] 44790190 NHZOXEVQBKIVMY-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro Cc1nnnn1Cc1ccc([N+](=O)[O-])c(F)c1 188324677 ZUYCLKQJIPIWKU-UHFFFAOYSA-N 237.194 1.077 5 50 BDBA CCOC(=O)CSc1nc(C)[nH]c1[N+](=O)[O-] 13122961 JAKRSOSIUMRBPL-UHFFFAOYSA-N 245.260 1.282 5 50 BDBA O=C(O)CSCc1ccccc1[N+](=O)[O-] 2164745 DUZOLSSGVIWWSU-UHFFFAOYSA-N 227.241 1.913 5 50 BDBA CC(C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 4310066 DZGDQIKUUIVZQD-UHFFFAOYSA-N 238.243 1.096 5 50 BDBA COc1ccc(CC(=O)O)c([N+](=O)[O-])c1 34543908 XCGMUHYKYLADKO-UHFFFAOYSA-N 211.173 1.231 5 50 BDBA in-vitro Nc1ccc2c(c1)[nH]c(=O)c1cc(N)ccc12 8628580 MDTCBXNMVJATBJ-UHFFFAOYSA-N 225.251 1.846 5 50 BDBA COc1cc(C(=O)O)cc([N+](=O)[O-])c1O 37011453 AEDVAGWYAKIOIM-UHFFFAOYSA-N 213.145 1.007 5 50 BDBA in-vitro COC(=O)Cc1ccc([N+](=O)[O-])c(F)c1 38867285 RUUXLCCTIXFRER-UHFFFAOYSA-N 213.164 1.449 5 50 BDBA in-vitro CCOc1ccc(C(=O)O)cc1[N+](=O)[O-] 43837 GZHXYRWGRKIXEJ-UHFFFAOYSA-N 211.173 1.692 5 50 BDBA in-vitro Cc1sc2c(c1[N+](=O)[O-])C(=O)NCCC2 199207 OLPNQHLGWPEEME-UHFFFAOYSA-N 226.257 1.641 5 50 BDBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1 3877866 UBLZWKCJZSDBGQ-AOOOYVTPSA-N 235.287 1.781 5 50 BDBA COc1cc(C(C)=O)c([N+](=O)[O-])cc1OC 500791 ZVLFGESHYMKNQP-UHFFFAOYSA-N 225.200 1.815 5 50 BDBA biogenic,in-vitro O=[N+]([O-])c1cccc(CN2CCC(O)CC2)c1 240971 JBMXFSRPVGCDJA-UHFFFAOYSA-N 236.271 1.552 5 50 BDBA C[N+]1([C@H]2CC[C@H]3CC[C@H]2[C@H]3O)CCCC1 239432734 WFYRTMMCIGPRMC-NDBYEHHHSA-N 210.341 1.776 5 50 BDBA O=[N+]([O-])c1cccc(C[n+]2ccccc2)c1 2166185 YQFKMKHLPBYMKT-UHFFFAOYSA-N 215.232 1.931 5 50 BDBA CS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 44790269 VORWLORGUKZGJZ-UHFFFAOYSA-N 219.193 1.137 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(C2[N@]3CCCC[N@@]23)c1 1857524869 GDEXTJXCOGKQBM-STQMWFEESA-N 219.244 1.920 5 50 BDBA COC(=O)Cc1ccc(F)c([N+](=O)[O-])c1 95932370 XRTVFSTWEJOKNN-UHFFFAOYSA-N 213.164 1.449 5 50 BDBA in-vitro O=[N+]([O-])c1ccnc(Br)c1 1296687 AFVITJKRFRRQKT-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA in-vitro Cc1cc(C)n(Cn2nc(C)c([N+](=O)[O-])c2C)n1 2552469 OLOSNBSVZWZCOS-UHFFFAOYSA-N 249.274 1.727 5 50 BDBA O=[N+]([O-])c1ccc(N2CCN3CCC[C@H]3C2)cc1 143815608 AZJZYOFVHUGUDB-ZDUSSCGKSA-N 247.298 1.879 5 50 BDBA CCN1CCc2ccc([N+](=O)[O-])cc2C1 19737171 WYGYMIKICPQWCH-UHFFFAOYSA-N 206.245 1.973 5 50 BDBA CNCCNc1ncc([N+](=O)[O-])cc1Cl 234387981 VSPPUAKYDRLPLE-UHFFFAOYSA-N 230.655 1.275 5 50 BDBA COCC(=O)Nc1cccc([N+](=O)[O-])c1C 860002 WSKFLQOMGJVIDE-UHFFFAOYSA-N 224.216 1.488 5 50 BDBA O=[N+]([O-])c1ccc(C2[N@@]3CCC[N@]23)cc1 1857524967 HSYQQZRQUXJBPH-VXGBXAGGSA-N 205.217 1.530 5 50 BDBA O=[N+]([O-])c1cccc(C2=CCNCC2)c1 143851201 OYNRULMXYHDMFI-UHFFFAOYSA-N 204.229 1.972 5 50 BDBA CNCc1cc([N+](=O)[O-])ccc1Cl 4218910 YRTNCUPHKWUHMQ-UHFFFAOYSA-N 200.625 1.968 5 50 BDBA in-vitro C[C@H]1CC(C)(C)C[N+]12CCS(=O)(=O)CC2 1775988898 OSLTTXCQKRZUQW-JTQLQIEISA-N 232.369 1.050 5 50 BDBA O=[N+]([O-])c1ccc(N2CCNCC2)c(Cl)c1 4131901 JNUWBYPJOBSXDN-UHFFFAOYSA-N 241.678 1.658 5 50 BDBA in-vitro COC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 2577191 SJNSLXDMVRQGGZ-SECBINFHSA-N 224.260 1.719 5 50 BDBA in-vitro Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1C 7023450 GYPMMPCCQIFFBR-UHFFFAOYSA-N 211.177 1.702 5 50 BDBA CC1=CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 4416442 PQJJJUQTGPYSHI-UHFFFAOYSA-N 232.195 1.414 5 50 BDBA COc1cc(C)c(NC(C)=O)cc1[N+](=O)[O-] 42684325 QYVWZBZKJRZMME-UHFFFAOYSA-N 224.216 1.870 5 50 BDBA in-vitro O=[N+]([O-])c1cc(F)c(N2CCOCC2)c(F)c1 78018524 ULZHNLWXQZVHLN-UHFFFAOYSA-N 244.197 1.710 5 50 BDBA COC(=O)c1c(OC)cccc1[N+](=O)[O-] 39260408 IKGPBKXTVWMPQY-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA in-vitro NNc1ncc([N+](=O)[O-])cc1Br 4797783 FGRGIVXZHDLCBP-UHFFFAOYSA-N 233.025 1.038 5 50 BDBA in-vitro Cc1ccc(CC(=O)C(=O)O)c([N+](=O)[O-])c1 1705010 SRRSFSUXQOWOAA-UHFFFAOYSA-N 223.184 1.099 5 50 BDBA CCCCCCNC(=O)c1[nH]ncc1[N+](=O)[O-] 3833130 WKZVLBSWCJQPDX-UHFFFAOYSA-N 240.263 1.628 5 50 BDBA O=c1c(F)cc([N+](=O)[O-])cn1CC(F)F 335341316 HAHHDOBFGAFPND-UHFFFAOYSA-N 222.122 1.161 5 50 BDBA CCN(c1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O 241287079 LJRLJYLXTSFUER-NSHDSACASA-N 249.270 1.310 5 50 BDBA CCOc1ccc([N+](=O)[O-])nc1[N+](=O)[O-] 2023605 SQUOGXVYROGXAN-UHFFFAOYSA-N 213.149 1.297 5 50 BDBA Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21 1755304 RTYZYMGYCRYVGF-UHFFFAOYSA-N 204.185 1.447 5 50 BDBA Cc1ccc(NC(=O)C2=NOCC2)cc1[N+](=O)[O-] 1875323866 BWVRXDJLKJXAKL-UHFFFAOYSA-N 249.226 1.618 5 50 BDBA O=C(O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1705019 FLZUSUKBKOZJLG-UHFFFAOYSA-N 215.592 1.875 5 50 BDBA in-vitro COc1ccc(OC)c([N+](=O)[O-])c1[N+](=O)[O-] 4578805 XOFHMPZPXFUVBV-UHFFFAOYSA-N 228.160 1.520 5 50 BDBA Nc1nccc(-c2ccc([N+](=O)[O-])cc2)n1 172557 CEFMGOCCUMHYKX-UHFFFAOYSA-N 216.200 1.634 5 50 BDBA in-vitro CCOC(=O)Cc1cc(F)cc([N+](=O)[O-])c1F 263623418 HIAFWJQJXBLDCI-UHFFFAOYSA-N 245.181 1.979 5 50 BDBA O=[N+]([O-])c1cnc2[nH]nc(Br)c2c1 72482081 KUKTUBBDMTVCMV-UHFFFAOYSA-N 243.020 1.629 5 50 BDBA in-vitro Cc1cc(C(F)(F)F)n2ncc([N+](=O)[O-])c2n1 1051248 XFTGMPYTZLJIIE-UHFFFAOYSA-N 246.148 1.965 5 50 BDBA COCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 458527 SSTDXVLRBGLKDU-UHFFFAOYSA-N 244.634 1.833 5 50 BDBA Cc1nn([C@@H](C)C(=O)O)c(C)c1[N+](=O)[O-] 809523 CANKNXFHGALOMF-LURJTMIESA-N 213.193 1.054 5 50 BDBA in-vitro C[C@H](N)CNc1ccc([N+](=O)[O-])c2cccnc12 3998834 URZDYCPQPIZOHT-QMMMGPOBSA-N 246.270 1.902 5 50 BDBA C[N+]1(Cn2nnc3ccccc32)CCCC1 5377558 NRUFIIZCGABMGS-UHFFFAOYSA-N 217.296 1.629 5 50 BDBA COC(=O)c1cc(Cl)c(O)c([N+](=O)[O-])c1 114518067 AXSBTIAHZUQRMI-UHFFFAOYSA-N 231.591 1.740 5 50 BDBA O=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 4272103 PCGDWIWUQDHQLK-UHFFFAOYSA-N 236.227 1.244 5 50 BDBA COc1c(NC(C)=O)cccc1[N+](=O)[O-] 38540044 XZSQRPKPRVJMST-UHFFFAOYSA-N 210.189 1.562 5 50 BDBA COCOc1cccc([N+](=O)[O-])c1F 261493567 DSRFLQGMAFLXPX-UHFFFAOYSA-N 201.153 1.717 5 50 BDBA CO[C@H](C)CNCc1ccc([N+](=O)[O-])cc1 167014432 WEKZKECPYBZNCJ-SECBINFHSA-N 224.260 1.719 5 50 BDBA C[C@@H](O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 237561 IVFGODDNHJTTBF-RXMQYKEDSA-N 207.189 1.524 5 50 BDBA in-vitro COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 1385535 OGIAQDKVKDHIID-UHFFFAOYSA-N 247.210 1.567 5 50 BDBA O=C1CS/C(=C\[N+](=O)[O-])N1c1ccccc1 1387339 WZAJGYJJKCRCCZ-POHAHGRESA-N 236.252 1.842 5 50 BDBA COc1ccc(OC)c([N+](=O)[O-])c1C(C)=O 34303061 STWRXUFZCMNTGI-UHFFFAOYSA-N 225.200 1.815 5 50 BDBA CC(C)C1=NN(c2ccc([N+](=O)[O-])cn2)C(=O)C1 603920646 ADVGTFHJWRRBCO-UHFFFAOYSA-N 248.242 1.739 5 50 BDBA O=Cc1ccc([N+](=O)[O-])c(N2CCSC2)c1 169725223 YEFQAQNZQTZVEO-UHFFFAOYSA-N 238.268 1.918 5 50 BDBA COC(=O)COc1cc(C)ccc1[N+](=O)[O-] 1059792 DXYIPECKHULXSI-UHFFFAOYSA-N 225.200 1.455 5 50 BDBA COC(=O)c1cc(OC)cc(O)c1[N+](=O)[O-] 204839815 OJQTZSOVYARYPI-UHFFFAOYSA-N 227.172 1.096 5 50 BDBA CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 4783070 GZZZQLBCXJQUHD-ZETCQYMHSA-N 208.217 1.792 5 50 BDBA COCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 4151034 LBMNLEWWGFJZBN-UHFFFAOYSA-N 238.243 1.279 5 50 BDBA COc1ccc([N+](=O)[O-])cc1OC(C)=O 2003555 XBFBLYSAWSLPRY-UHFFFAOYSA-N 211.173 1.529 5 50 BDBA O=C(O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)O 2505039 PWOSYAXUKPDKHQ-UHFFFAOYSA-N 237.167 1.147 5 50 BDBA COc1cnc(Br)cc1[N+](=O)[O-] 261494380 WDXZTUWUDRHWQA-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA O=[N+]([O-])c1cccnc1NCc1cccnc1 20135289 CUHDKFXWPRDELO-UHFFFAOYSA-N 230.227 1.997 5 50 BDBA in-vitro CC1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 3912641 PPFPYHSJIIMHCF-UHFFFAOYSA-N 237.263 1.203 5 50 BDBA CN(C)c1cc(C(=O)O)ccc1[N+](=O)[O-] 147722330 HMRMOFDVYIXAMW-UHFFFAOYSA-N 210.189 1.359 5 50 BDBA O=[N+]([O-])c1cnc(F)c(Br)c1 1594918 NLLPMLSUMJHTCJ-UHFFFAOYSA-N 220.985 1.891 5 50 BDBA in-vitro C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O 4105166 BIKAQDFSUOACQG-BYPYZUCNSA-N 245.622 1.528 5 50 BDBA COc1c(F)cc(N)c([N+](=O)[O-])c1F 936069367 HUBNSJVGCSGVDO-UHFFFAOYSA-N 204.132 1.464 5 50 BDBA O=[N+]([O-])c1ccc(OCCn2cncn2)cc1 366697 YOCNYONAYYIPCE-UHFFFAOYSA-N 234.215 1.265 5 50 BDBA CC(=O)COC(=O)c1ccccc1[N+](=O)[O-] 38293719 BSWBMCHVHSEFPW-UHFFFAOYSA-N 223.184 1.341 5 50 BDBA COc1ccc2nccnc2c1[N+](=O)[O-] 190662 VEFLMTOWDCPVKN-UHFFFAOYSA-N 205.173 1.547 5 50 BDBA O=[N+]([O-])c1cccc(Cl)c1CCO 81149 FLKQZNFLWOPRFX-UHFFFAOYSA-N 201.609 1.783 5 50 BDBA CCOC(=O)COc1ccccc1[N+](=O)[O-] 162196 ULWPSRBTOBHBKT-UHFFFAOYSA-N 225.200 1.537 5 50 BDBA in-vitro N=C(N)SCC(=O)c1ccc([N+](=O)[O-])cc1 1735747 SNVFDTHGBMDHKL-UHFFFAOYSA-N 239.256 1.404 5 50 BDBA biogenic Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] 91301677 JHRWWIQRZCVYJZ-UHFFFAOYSA-N 208.004 1.879 5 50 BDBA COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 56523 SYYKLKHBZGFKOC-UHFFFAOYSA-N 241.199 1.399 5 50 BDBA in-vitro CCN(CC)c1ccc([N+](=O)[O-])c(N)n1 167771132 BOLKOVRAXIRJMT-UHFFFAOYSA-N 210.237 1.418 5 50 BDBA COC[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] 455688 RGLKBGSREPGOGT-QMMMGPOBSA-N 238.243 1.360 5 50 BDBA O=[N+]([O-])c1ccc(C[n+]2ccccc2CO)cc1 15781054 WYUYRZJHXXXFMQ-UHFFFAOYSA-N 245.258 1.423 5 50 BDBA Cc1nn(C(C)C)c(C(=O)O)c1[N+](=O)[O-] 71773655 YVBCNEUOWAZENK-UHFFFAOYSA-N 213.193 1.379 5 50 BDBA O=[N+]([O-])c1ccc(CN2CCC(O)CC2)o1 199505 URJBOOGMKQGAIJ-UHFFFAOYSA-N 226.232 1.145 5 50 BDBA CC1(C)Nc2ccc([N+](=O)[O-])cc2NC1=O 4329530 SNJFWOQGLWPSKM-UHFFFAOYSA-N 221.216 1.737 5 50 BDBA Cc1nc([N+](=O)[O-])cn1-c1ccccc1N 198844 JLVWFMAEBKNIMO-UHFFFAOYSA-N 218.216 1.671 5 50 BDBA CCOC(=O)C[C@H](N)c1cccc([N+](=O)[O-])c1 53995072 VDXTZDRXJICHPV-JTQLQIEISA-N 238.243 1.548 5 50 BDBA COc1ccc(Br)nc1[N+](=O)[O-] 71254743 NCYGJPLRMYGVEB-UHFFFAOYSA-N 233.021 1.761 5 50 BDBA O=[N+]([O-])c1cnc(C(F)(F)F)cc1O 95093381 VVKVNBMMOVZQRX-UHFFFAOYSA-N 208.095 1.714 5 50 BDBA O=[N+]([O-])c1cccc([C@H]2NCCc3[nH]cnc32)c1 197259 DBEFCWICFAVKKV-LLVKDONJSA-N 244.254 1.553 5 50 BDBA biogenic COC(=O)c1cccc([N+](=O)[O-])c1C(=O)O 2167998 DJMQLZPEBHSABD-UHFFFAOYSA-N 225.156 1.080 5 50 BDBA COc1cc([N+](=O)[O-])cc2sc(N)nc12 328295 CPKIXPBVHIJAIR-UHFFFAOYSA-N 225.229 1.795 5 50 BDBA in-vitro Cc1c(Br)cnc(N)c1[N+](=O)[O-] 21981756 KFVGEPWMVKZPND-UHFFFAOYSA-N 232.037 1.643 5 50 BDBA in-vitro CN1CCN(C)C1c1ccc([N+](=O)[O-])cc1 71774216 KGRLFWGMPGKZOC-UHFFFAOYSA-N 221.260 1.471 5 50 BDBA O=C(O)Cc1c([N+](=O)[O-])ccc(F)c1F 38537112 KZNVCGPCWKYPKD-UHFFFAOYSA-N 217.127 1.500 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)nc1 245204848 ICDYSSUMCHRNRJ-CZMCAQCFSA-N 237.259 1.705 5 50 BDBA O=[N+]([O-])c1ccc2ncn(CN3CCCC3)c2c1 5394927 DBXYSMRCVSVYRP-UHFFFAOYSA-N 246.270 1.998 5 50 BDBA C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccnn1C 866252361 XYJNLDPEFYONFZ-ZETCQYMHSA-N 248.246 1.291 5 50 BDBA O=C(O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 335385 DBMACUOANYJOMN-UHFFFAOYSA-N 247.210 1.538 5 50 BDBA NC(=O)c1cccc2nc3ccccc3nc12 4942454 KPZYYKDXZKFBQU-UHFFFAOYSA-N 223.235 1.882 5 50 BDBA biogenic,in-vitro O=C(NCCCCO)c1cccc([N+](=O)[O-])c1 4591227 VNMZWNCKOACTBK-UHFFFAOYSA-N 238.243 1.097 5 50 BDBA CCCOn1nnc2ccc([N+](=O)[O-])cc21 2497078 WAGPKKWLHDAYMJ-UHFFFAOYSA-N 222.204 1.178 5 50 BDBA Nc1nc2cc([N+](=O)[O-])c3cccnc3c2o1 228902771 VJCRQUVGUMPVND-UHFFFAOYSA-N 230.183 1.866 5 50 BDBA COC(=O)C1CN(c2ccc([N+](=O)[O-])cc2)C1 90513632 NOKVALHWMPCNDG-UHFFFAOYSA-N 236.227 1.204 5 50 BDBA Cn1ccccc1=Nc1cc([N+](=O)[O-])ccc1N 334160112 GMMPSSFBTFPSET-UHFFFAOYSA-N 244.254 1.748 5 50 BDBA CCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 2518964 VJXKSKRNWXAKOQ-UHFFFAOYSA-N 224.216 1.952 5 50 BDBA CN1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 238053 HUZRGROIJCBIHJ-UHFFFAOYSA-N 249.314 1.732 5 50 BDBA Cc1cc([N+](=O)[O-])cc2c(O)nc(N)nc12 498049307 HDSKFJMSGVKOTG-UHFFFAOYSA-N 220.188 1.134 5 50 BDBA Nc1nc(C(F)(F)F)ccc1[N+](=O)[O-] 85223434 YSMYCFONKCAXBB-UHFFFAOYSA-N 207.111 1.591 5 50 BDBA O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)CN1 91692855 DFSONBFTQBLUGR-QMMMGPOBSA-N 206.201 1.198 5 50 BDBA in-vitro Cc1nn(C[C@@H](C)C(=O)O)c(C)c1[N+](=O)[O-] 2732061 DFANDWKEUBXWKL-RXMQYKEDSA-N 227.220 1.129 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1648205 VYWYYJYRVSBHJQ-UHFFFAOYSA-N 212.117 1.201 5 50 BDBA biogenic,in-vitro COC(=O)Cc1ccc(OC)cc1[N+](=O)[O-] 118893878 ZANZIKSIBCPPRQ-UHFFFAOYSA-N 225.200 1.319 5 50 BDBA C[C@@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1 3137060 URBPRESWNDSZNO-HZGVNTEJSA-N 225.200 1.349 5 50 BDBA OCC1=CC[N@+]2(Cc3ccccc3)CC[C@H](O)[C@@H]12 245377569 MPDVSGSUYGUBLA-ARFHVFGLSA-N 246.330 1.069 5 50 BDBA biogenic CCNc1cc(C(=O)O)cc([N+](=O)[O-])c1 3880455 CHNQJEHMJWYBAM-UHFFFAOYSA-N 210.189 1.725 5 50 BDBA C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 40377490 SQSQBTYAUOXOJI-SSDOTTSWSA-N 209.201 1.858 5 50 BDBA NNc1nc2ccc([N+](=O)[O-])cc2s1 5159047 HCIQJRCGPLSQLH-UHFFFAOYSA-N 210.218 1.490 5 50 BDBA COc1cc(OC(C)=O)c([N+](=O)[O-])cc1OC 200000311 PKIZDEMBCBNCKH-UHFFFAOYSA-N 241.199 1.537 5 50 BDBA Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3861609 LHRIICYSGQGXSX-UHFFFAOYSA-N 217.568 1.739 5 50 BDBA in-vitro Cc1nn(-c2ccccc2)c(N)c1[N+](=O)[O-] 6666681 RFELMQOEUOKELU-UHFFFAOYSA-N 218.216 1.671 5 50 BDBA Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C=O 2510909 JRNHTVSDVAZTAJ-UHFFFAOYSA-N 211.221 1.438 5 50 BDBA COc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-] 39278298 WDHCRWZNSBIWKL-UHFFFAOYSA-N 231.591 1.955 5 50 BDBA in-vitro O=[N+]([O-])c1cn(Cc2ccccc2)nn1 33797 RNFFVBRVQVBEST-UHFFFAOYSA-N 204.189 1.235 5 50 BDBA O=[N+]([O-])c1cc(Br)cc(CO)c1 71605959 WIXGOPRKQQGTHO-UHFFFAOYSA-N 232.033 1.850 5 50 BDBA in-vitro C[N+]1([C@@H]2CC[C@H]3CC[C@H]2[C@@H]3O)CCCC1 239432731 WFYRTMMCIGPRMC-FDYHWXHSSA-N 210.341 1.776 5 50 BDBA biogenic O=C(O)c1cnc2c([N+](=O)[O-])cccc2c1O 5545970 BMIZBCVEHSUUNO-UHFFFAOYSA-N 234.167 1.547 5 50 BDBA N=c1[nH]c(N2CC[C@H]3CCC[C@H]32)ncc1[N+](=O)[O-] 408361617 HYOCPTFUSKRQNQ-HTQZYQBOSA-N 249.274 1.176 5 50 BDBA C=COC(=O)CC[N+](CC)(CC)CC 3106404 GSBPMNJLNSJWSG-UHFFFAOYSA-N 200.302 1.940 5 50 BDBA CCCCNC(=O)Nc1ncc([N+](=O)[O-])s1 3819042 VIZDGKDXNCKNQB-UHFFFAOYSA-N 244.276 1.973 5 50 BDBA CCOC(=O)Nc1ccncc1[N+](=O)[O-] 3878867 VENNERPQXXLLRT-UHFFFAOYSA-N 211.177 1.558 5 50 BDBA CCOC(Cn1cc([N+](=O)[O-])cn1)OCC 12395677 MTOINZKBNHAPFT-UHFFFAOYSA-N 229.236 1.190 5 50 BDBA in-vitro CN(C)c1ncc([N+](=O)[O-])cc1Br 32599225 MPBCWXXDYWCJSW-UHFFFAOYSA-N 246.064 1.818 5 50 BDBA CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 2831432 YZMHOPUYBXGJSS-UHFFFAOYSA-N 239.187 1.171 5 50 BDBA biogenic CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 184934846 WVNCPNNOCXZAKM-LURJTMIESA-N 226.207 1.583 5 50 BDBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1F 90367468 OQVXZXWWCKAODG-UHFFFAOYSA-N 226.207 1.571 5 50 BDBA in-vitro COC(=O)c1cc(O)c2cc([N+](=O)[O-])ccc2n1 1043835 OFNPBZVQMSFLIS-UHFFFAOYSA-N 248.194 1.635 5 50 BDBA in-vitro CC(=O)Nc1c(C(C)=O)cccc1[N+](=O)[O-] 4795534 DNSKVIATGDFXLO-UHFFFAOYSA-N 222.200 1.756 5 50 BDBA CON(C)c1c(Cl)cncc1[N+](=O)[O-] 408521919 AKCCOKYHPVIUHQ-UHFFFAOYSA-N 217.612 1.641 5 50 BDBA O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)CN1 5394858 JBWQGZQIPVCIMB-UHFFFAOYSA-N 219.200 1.020 5 50 BDBA O=C(Cc1ccc([N+](=O)[O-])cc1)n1ccnc1 13233734 BXVKPCDHGLECJR-UHFFFAOYSA-N 231.211 1.674 5 50 BDBA Cc1cc(=O)c2cc([N+](=O)[O-])ccc2[nH]1 8615079 WTJKUGPNJDSKBL-UHFFFAOYSA-N 204.185 1.745 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](O)C1 46341228 PUEOIIRRWGCFQJ-VIFPVBQESA-N 240.234 1.695 5 50 BDBA in-vitro COCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 229561520 WHVJJLRLYWJDQZ-UHFFFAOYSA-N 228.179 1.319 5 50 BDBA CCOC(=O)c1ccc([N+](=O)[O-])c(O)c1 28278532 VDARTPBFQUTSTO-UHFFFAOYSA-N 211.173 1.477 5 50 BDBA O=[N+]([O-])c1ccnn1CC1CC(F)(F)C1 295873684 ZFPJZCLAABEBIE-UHFFFAOYSA-N 217.175 1.837 5 50 BDBA O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1841206 FLJXIBHYDIMYRS-UHFFFAOYSA-N 212.117 1.021 5 50 BDBA in-vitro CCn1ccc(=O)c2cc([N+](=O)[O-])ccc21 1659948 NBTDCHNREGPDHY-UHFFFAOYSA-N 218.212 1.930 5 50 BDBA Nc1c([N+](=O)[O-])c(=O)sc2ccccc12 100484222 FKPWQUSJEKXGMN-UHFFFAOYSA-N 222.225 1.752 5 50 BDBA Cc1nc(C(=O)O)nn1-c1ccc([N+](=O)[O-])cc1 167596 AGPQLGNAAHYBPG-UHFFFAOYSA-N 248.198 1.182 5 50 BDBA O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC1 4550032 PXCMXAOVWGQBSS-UHFFFAOYSA-N 206.201 1.943 5 50 BDBA in-vitro Cc1c(C)[n+](=O)c2cc([N+](=O)[O-])ccc2n1O 71773988 GTZYGLCTLVRSRY-UHFFFAOYSA-N 236.207 1.318 5 50 BDBA Cc1c(NC(N)=S)cccc1[N+](=O)[O-] 1389789 FMARWYVXAGHIER-UHFFFAOYSA-N 211.246 1.559 5 50 BDBA CCCCNc1ccc([N+](=O)[O-])cc1C(N)=O 5065273 BVGCIFRWLCEPDS-UHFFFAOYSA-N 237.259 1.906 5 50 BDBA O=C(O)c1cc2ccc([N+](=O)[O-])cc2[nH]1 2582708 JIXJNWVLWQQNDB-UHFFFAOYSA-N 206.157 1.774 5 50 BDBA in-vitro Cn1cnc([N+](=O)[O-])c1CNc1ccccc1 347753585 LZWOZGKNWAXZPG-UHFFFAOYSA-N 232.243 1.940 5 50 BDBA COCc1nc2ccccn2c1[N+](=O)[O-] 43277628 VSYCFQPVSXPWTM-UHFFFAOYSA-N 207.189 1.389 5 50 BDBA OCC1=CC[N@+]2(Cc3ccccc3)CC[C@@H](O)[C@@H]12 245377570 MPDVSGSUYGUBLA-BZUAXINKSA-N 246.330 1.069 5 50 BDBA biogenic Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)O 117912861 YGILCZOAWKGSJD-UHFFFAOYSA-N 225.200 1.675 5 50 BDBA CCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 36882389 MQUWUYCTTHAUEC-JTQLQIEISA-N 237.259 1.661 5 50 BDBA CCn1nnnc1-c1ccc([N+](=O)[O-])cc1 257173381 LQSJHLINOHDALR-UHFFFAOYSA-N 219.204 1.268 5 50 BDBA COc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 2165057 NPQPEWSDPMSLMR-UHFFFAOYSA-N 231.229 1.007 5 50 BDBA O=C(O)c1cccc(Cn2ccc([N+](=O)[O-])n2)c1 335378 PCWADYMLQJVXRR-UHFFFAOYSA-N 247.210 1.538 5 50 BDBA O=C(O)C(=O)c1cc([N+](=O)[O-])ccc1Cl 725261855 KPRPJOYHQNWWBJ-UHFFFAOYSA-N 229.575 1.516 5 50 BDBA CCOC(=O)[C@@H](O)c1ccccc1[N+](=O)[O-] 1510825 ZHZOPDQZNGEBAH-VIFPVBQESA-N 225.200 1.191 5 50 BDBA CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F 152679 ROTRYCVIIHNNIR-UHFFFAOYSA-N 216.143 1.831 5 50 BDBA C=CS(=O)(=O)c1cccc(OC)c1[N+](=O)[O-] 129715404 AHMZEJQIFMHFQB-UHFFFAOYSA-N 243.240 1.521 5 50 BDBA C/C=C/S(=O)(=O)c1cccc([N+](=O)[O-])c1 458913 DPDYHLOMDGLGPO-QHHAFSJGSA-N 227.241 1.902 5 50 BDBA CC(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4313581 YMQDOINNAIAMAP-UHFFFAOYSA-N 244.272 1.282 5 50 BDBA O=C(O)C(=O)c1cccc(F)c1[N+](=O)[O-] 725262078 UVRKIGAAPPWIEY-UHFFFAOYSA-N 213.120 1.001 5 50 BDBA Cc1cc([N+](=O)[O-])nn1CC(=O)c1ccccc1 49628 QYDWSMYWFNTNGL-UHFFFAOYSA-N 245.238 1.983 5 50 BDBA CC[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 4850760 BTQOLHFXAUGYLI-JTQLQIEISA-N 224.260 1.455 5 50 BDBA NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 1707953 XIYABENEBOSULF-UHFFFAOYSA-N 245.578 1.255 5 50 BDBA in-vitro O=C(Nc1ncc([N+](=O)[O-])s1)[C@H]1CCCO1 4460347 MFWGPLVDBLCMBX-RXMQYKEDSA-N 243.244 1.169 5 50 BDBA Nc1cnc(-c2ccc([N+](=O)[O-])cc2)nc1 4833305 UBTVKHVDHBHZLN-UHFFFAOYSA-N 216.200 1.634 5 50 BDBA COc1cc(Cl)c(N)c([N+](=O)[O-])c1 113303873 VTJJNTUYXQZYRP-UHFFFAOYSA-N 202.597 1.839 5 50 BDBA Nc1c([N+](=O)[O-])cc(C(=O)O)c(F)c1F 8699306 WXXHOWQPFHXRDY-UHFFFAOYSA-N 218.115 1.153 5 50 BDBA in-vitro CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C1 5500790 JSSDYZWXQJIZDX-UHFFFAOYSA-N 247.210 1.343 5 50 BDBA Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 14880028 SPSSULHKWOKEEL-UHFFFAOYSA-N 227.132 1.720 5 50 BDBA in-vivo NC(=O)c1cc([N+](=O)[O-])ccc1Cl 39556 SDHXWAPVLOGAJR-UHFFFAOYSA-N 200.581 1.347 5 50 BDBA in-vitro O=C(O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 3864775 TYVJAVSCQNUKPY-UHFFFAOYSA-N 238.199 1.398 5 50 BDBA COC(=O)c1cc(F)cc([N+](=O)[O-])c1OC 34062619 YDKNLBGEMKEVIF-UHFFFAOYSA-N 229.163 1.529 5 50 BDBA CN1CC=C(c2ccc([N+](=O)[O-])nc2)CC1 116053972 NGEYWLYKKLDPAK-UHFFFAOYSA-N 219.244 1.709 5 50 BDBA COCOc1ccc(F)c([N+](=O)[O-])c1 200333891 DPIUHNJYFGMCPZ-UHFFFAOYSA-N 201.153 1.717 5 50 BDBA CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 4558895 WRLPXMZYHBHUQA-UHFFFAOYSA-N 211.177 1.935 5 50 BDBA CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl 5456561 AWNKVVBTIHQIQJ-UHFFFAOYSA-N 228.635 1.998 5 50 BDBA CCOC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 4593466 IKLWBOYNDKAKPJ-UHFFFAOYSA-N 225.204 1.745 5 50 BDBA C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCN1 3878506 JLCKZYKOWUVIPC-SECBINFHSA-N 221.260 1.393 5 50 BDBA in-vitro CCOC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 2504553 HOYHBDFTELAGGG-UHFFFAOYSA-N 239.183 1.470 5 50 BDBA Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1C 1600824 HWYUVFKGQPJIFG-UHFFFAOYSA-N 212.161 1.825 5 50 BDBA in-vitro O=[N+]([O-])c1cc(F)cnc1Br 2546085 XJFDIIHIXNIWQH-UHFFFAOYSA-N 220.985 1.891 5 50 BDBA in-vitro COc1ccc(CSC(=N)N)cc1[N+](=O)[O-] 4348616 PLKWIFSIXRUXPJ-UHFFFAOYSA-N 241.272 1.730 5 50 BDBA O=C(O)/C=C/c1c(F)cc([N+](=O)[O-])cc1F 263623896 LQBGSJUGFJNVMY-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA COC(=O)c1ccc(NC(C)=O)cc1[N+](=O)[O-] 30947818 KLNGDJZTWWNLOW-UHFFFAOYSA-N 238.199 1.340 5 50 BDBA CC(C)(C)OC(=O)n1cc([N+](=O)[O-])ccc1=O 97463342 DBTYBWOAVHSVOL-UHFFFAOYSA-N 240.215 1.540 5 50 BDBA Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 244419 GYXVCRNXNQDIMC-UHFFFAOYSA-N 205.173 1.953 5 50 BDBA in-vitro O=[N+]([O-])c1ccc2c(c1)OC(F)(F)O2 2391991 YCLXTFDBDIYVPZ-UHFFFAOYSA-N 203.100 1.916 5 50 BDBA in-vitro COC(=O)c1ncc(Cl)cc1[N+](=O)[O-] 238359383 LDIMWIHRCQNRAT-UHFFFAOYSA-N 216.580 1.430 5 50 BDBA COC(=O)n1c(=O)oc2c([N+](=O)[O-])cccc21 670422586 NHXTXLCAEQKKIO-UHFFFAOYSA-N 238.155 1.117 5 50 BDBA COc1cc([N+](=O)[O-])c(O)cc1Cl 169725145 GGWLSLLQZLCHFW-UHFFFAOYSA-N 203.581 1.962 5 50 BDBA CCC[C@H](CC(=O)OCC)C[N+](=O)[O-] 96032261 CRUVGEHKMFFRSF-MRVPVSSYSA-N 203.238 1.633 5 50 BDBA O=C(Nc1ncc([N+](=O)[O-])s1)C1CC1 5943705 ZXPYIKFCKMNFRT-UHFFFAOYSA-N 213.218 1.400 5 50 BDBA CCC(=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 185148 SGCAVRWAYDAZQQ-NSHDSACASA-N 223.228 1.997 5 50 BDBA O=C(O)C1(c2ccc([N+](=O)[O-])cc2)CC1 32918533 GWOWMWDHYGMVSZ-UHFFFAOYSA-N 207.185 1.711 5 50 BDBA in-vitro CC(C)(C(=O)O)c1ccc([N+](=O)[O-])cc1 276764 AFRRWJPNQKSTEY-UHFFFAOYSA-N 209.201 1.957 5 50 BDBA in-vitro O=C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4052142 BMXFDVAJYBTGRC-UHFFFAOYSA-N 238.218 1.903 5 50 BDBA O=C1C=CC(=O)N1c1ccc(F)c([N+](=O)[O-])c1 8730067 FPNVMFULBBEITM-UHFFFAOYSA-N 236.158 1.163 5 50 BDBA COc1cc([N+](=O)[O-])ccc1NC(N)=S 146810531 JUIXWOUQEUMRTC-UHFFFAOYSA-N 227.245 1.259 5 50 BDBA O=[N+]([O-])c1cnc(O)c(C(F)(F)F)c1 14611384 BHUILUYFGJBXHQ-UHFFFAOYSA-N 208.095 1.714 5 50 BDBA CCC[C@@H](CC(=O)OCC)C[N+](=O)[O-] 96032260 CRUVGEHKMFFRSF-QMMMGPOBSA-N 203.238 1.633 5 50 BDBA CCNc1cc2c(cc1[N+](=O)[O-])OCCO2 4015018 XFAOPFCROKOVCW-UHFFFAOYSA-N 224.216 1.798 5 50 BDBA Cc1cc([N+](=O)[O-])c(N)c(C)c1[N+](=O)[O-] 5212234 HNBOFEYMEGSMIR-UHFFFAOYSA-N 211.177 1.702 5 50 BDBA O=[N+]([O-])c1ccc(-n2ccc(O)n2)cc1 142250059 NODVFTSWIAFZKL-UHFFFAOYSA-N 205.173 1.486 5 50 BDBA CC(=O)c1ncc(Br)cc1[N+](=O)[O-] 95743403 QPUXVERERDQWCV-UHFFFAOYSA-N 245.032 1.955 5 50 BDBA COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1673029 VKKNUVQQEHKTCG-VOTSOKGWSA-N 207.185 1.781 5 50 BDBA biogenic,in-vitro COC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1 12336838 MVYNAWKGJNUDJT-RKDXNWHRSA-N 223.184 1.208 5 50 BDBA Cn1cnn2cc(-c3ccc([N+](=O)[O-])cc3)nc12 5626189 NDSJDSDYZZKPBL-UHFFFAOYSA-N 243.226 1.643 5 50 BDBA O=[N+]([O-])c1ccccc1CSC[C@@H](O)CO 86660435 NKXJHFUYKHKQSS-VIFPVBQESA-N 243.284 1.181 5 50 BDBA Cc1cc(OCCN(C)C)ccc1[N+](=O)[O-] 4907277 UZWDAOAVUZPXDA-UHFFFAOYSA-N 224.260 1.844 5 50 BDBA CNc1ccc(NC(C)=O)cc1[N+](=O)[O-] 4998846 BXIXZHPXMOMZJI-UHFFFAOYSA-N 209.205 1.595 5 50 BDBA Cc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 5378107 JKNDILGGBVQHNT-UHFFFAOYSA-N 233.227 1.393 5 50 BDBA O=[N+]([O-])c1ccc([C@H]2OCOC[C@H]2O)cc1 31380 JEAGEBJAKVKMBE-NXEZZACHSA-N 225.200 1.001 5 50 BDBA Cc1ccc(NC(=O)N(C)C)cc1[N+](=O)[O-] 2170968 ZGUAANUOYYFJEK-UHFFFAOYSA-N 223.232 1.997 5 50 BDBA COC(CNc1cc(F)ccc1[N+](=O)[O-])OC 148959960 LMKGBQROLRNCLO-UHFFFAOYSA-N 244.222 1.765 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1F 4557326 VJNLENXGKDEAMI-UHFFFAOYSA-N 230.107 1.340 5 50 BDBA in-vitro O=C(O)c1ccnc2cccc([N+](=O)[O-])c12 1027309 IUPRIJZNXWHBKH-UHFFFAOYSA-N 218.168 1.841 5 50 BDBA O=C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 19425106 HHSJKTOTRCJLBB-UHFFFAOYSA-N 248.238 1.400 5 50 BDBA Cc1cc2ncc(-n3cc([N+](=O)[O-])cn3)cn2n1 4809613 HDUFMFCZXMXSAK-UHFFFAOYSA-N 244.214 1.132 5 50 BDBA Nc1ccc(-c2nc[nH]c2[N+](=O)[O-])cc1 6444995 AEWALYNMBBQTPR-UHFFFAOYSA-N 204.189 1.567 5 50 BDBA CCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 2023093 LSVBBJVITBGNFC-UHFFFAOYSA-N 248.238 1.991 5 50 BDBA Nc1cc(-n2cccn2)ccc1[N+](=O)[O-] 149586146 BWDGAFYRDGFCQP-UHFFFAOYSA-N 204.189 1.363 5 50 BDBA c1ccc(C[N+]23CCN(CC2)CC3)cc1 281397 AQBXOJYDGCYPNQ-UHFFFAOYSA-N 203.309 1.333 5 50 BDBA Cc1cc([N+](=O)[O-])c(Br)c[n+]1[O-] 39208290 ZXBHWFBOEKPCCN-UHFFFAOYSA-N 233.021 1.299 5 50 BDBA O=C(O)c1ccc([N+](=O)[O-])c(Cl)c1 2382624 TZPGGFYKIOBMCN-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro O=C1Nc2ccc([N+](=O)[O-])cc2C12CC2 85392558 OOYCLILZCXINKA-UHFFFAOYSA-N 204.185 1.579 5 50 BDBA CN1CCC(Cn2cc([N+](=O)[O-])cn2)CC1 498050241 JJSVSUFGZZAHGJ-UHFFFAOYSA-N 224.264 1.133 5 50 BDBA Nc1ncncc1-c1ccc([N+](=O)[O-])cc1 1441828 ILWLKSVMDBARRG-UHFFFAOYSA-N 216.200 1.634 5 50 BDBA Cc1cc([N+](=O)[O-])cc(C)c1NS(C)(=O)=O 4606541 GKQOHMCDLAKXQD-UHFFFAOYSA-N 244.272 1.583 5 50 BDBA CCOc1ccc(NC(C)=O)cc1[N+](=O)[O-] 4610610 UOIPFPSGIAWJAQ-UHFFFAOYSA-N 224.216 1.952 5 50 BDBA COc1c(N)cc([N+](=O)[O-])c(OC)c1C 615886 LXVCBARZMZHCJB-UHFFFAOYSA-N 212.205 1.503 5 50 BDBA O=[N+]([O-])c1ccc(SN2CC2)c([N+](=O)[O-])c1 3124416 LFPRNWWCDUFNII-UHFFFAOYSA-N 241.228 1.826 5 50 BDBA CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] 39956535 UVWSVWWTGXMSAI-UHFFFAOYSA-N 225.204 1.208 5 50 BDBA CC(=O)Nc1c(C)ccc(C(=O)O)c1[N+](=O)[O-] 4021782 TXVWKWQKCFPEDJ-UHFFFAOYSA-N 238.199 1.560 5 50 BDBA in-vitro COC(=O)c1c(F)ccc([N+](=O)[O-])c1N 21982619 CZWULSUQQAOBDL-UHFFFAOYSA-N 214.152 1.103 5 50 BDBA in-vitro CC(C)NC(=O)c1ccc([N+](=O)[O-])cc1F 54055827 GGQMFEGCXQBIAF-UHFFFAOYSA-N 226.207 1.872 5 50 BDBA Cn1cc(Cn2cc(Cl)c([N+](=O)[O-])n2)cn1 2740920 GYRRQRFTSWEFNL-UHFFFAOYSA-N 241.638 1.227 5 50 BDBA COc1ccc(Cn2ccnc2)cc1[N+](=O)[O-] 179284 UVPLMRZBQGZRDD-UHFFFAOYSA-N 233.227 1.848 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c1 2944613 DQCNIBCDZAAPPQ-UHFFFAOYSA-N 230.107 1.340 5 50 BDBA in-vitro CCCCOn1nnc2ccc([N+](=O)[O-])cc21 2871002 VKTDGAGXKMIILX-UHFFFAOYSA-N 236.231 1.568 5 50 BDBA Cc1cc([N+](=O)[O-])c(NC[C@H](C)O)cc1N 4036481 RNEXDEKSLDKWNY-ZETCQYMHSA-N 225.248 1.278 5 50 BDBA CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 90367569 NDFOSCHZAAFGGU-UHFFFAOYSA-N 215.230 1.139 5 50 BDBA CC(=O)Nc1c(C(=O)O)cc(C)cc1[N+](=O)[O-] 5378840 IOWLTUJPRIXYEY-UHFFFAOYSA-N 238.199 1.560 5 50 BDBA CC(C)(O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O 170037338 LEMNOIUOKOWXOS-UHFFFAOYSA-N 246.650 1.181 5 50 BDBA O=C(O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O 3833068 HVEINHUJRQCZNZ-UHFFFAOYSA-N 234.167 1.135 5 50 BDBA in-vitro CC(=O)Nc1ccc([N+](=O)[O-])cc1C(C)=O 4795536 XQUPARUIHRXRMW-UHFFFAOYSA-N 222.200 1.756 5 50 BDBA CCOC(=O)Cc1ccc([N+](=O)[O-])c(F)c1 118895454 ZCKVAUOQFVWSKN-UHFFFAOYSA-N 227.191 1.840 5 50 BDBA NCCCCNc1ccccc1[N+](=O)[O-] 3877837 LMSPIBZJRMGTOC-UHFFFAOYSA-N 209.249 1.746 5 50 BDBA NCCNc1ccc([N+](=O)[O-])c2cccnc12 3877835 QWERJBJISYXSIZ-UHFFFAOYSA-N 232.243 1.514 5 50 BDBA Nc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-] 117653495 OBYHEFCXYWMPKR-UHFFFAOYSA-N 216.580 1.529 5 50 BDBA O=[N+]([O-])c1ccc(OCC2CC2)nc1F 261493674 GWDFGVZTTAZFLQ-UHFFFAOYSA-N 212.180 1.918 5 50 BDBA CCOC(=O)[C@H]1CCC[N@+]2(C)CCCC[C@@H]12 252460016 AYAOGAWAISPJGQ-OBJOEFQTSA-N 226.340 1.959 5 50 BDBA biogenic N[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)CC1 255187760 GOHIARIQILJWSN-HAQNSBGRSA-N 249.314 1.954 5 50 BDBA Nc1ccc([N+](=O)[O-])c(Br)n1 71256179 GSICIBOPCHOCJK-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] 6420996 BJQGXGXCPQAIAU-VOTSOKGWSA-N 206.201 1.354 5 50 BDBA O=C(O)c1ccccc1N=CC[N+](=O)[O-] 256081513 RJUMNVLNDMQVJW-UHFFFAOYSA-N 208.173 1.364 5 50 BDBA COCCCn1cnc2cc([N+](=O)[O-])ccc21 2874446 ZOPXVYHFPDRYJX-UHFFFAOYSA-N 235.243 1.981 5 50 BDBA COC[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 169949919 XFLKANKCWVJHTL-ZCFIWIBFSA-N 244.272 1.421 5 50 BDBA O=C1CCCN1c1ccc([N+](=O)[O-])cc1 4262111 YYYMDBUHBOEDTC-UHFFFAOYSA-N 206.201 1.722 5 50 BDBA in-vitro CC(C)NC(=O)c1ccccc1[N+](=O)[O-] 170943 ZJMWYEHEWWSKQV-UHFFFAOYSA-N 208.217 1.733 5 50 BDBA O=[N+]([O-])c1ccc(N2CCNCC2)c(F)c1 3884268 ZILOTWJFFLIFMZ-UHFFFAOYSA-N 225.223 1.144 5 50 BDBA COCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4691289 PCLVQEAJIWUBHI-UHFFFAOYSA-N 244.634 1.833 5 50 BDBA CC(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 299401 OLKSWPMQKRIMPS-UHFFFAOYSA-N 222.244 1.662 5 50 BDBA O=C(O)Cc1cccc([N+](=O)[O-])c1Cl 143584540 YNAGRJPZFRHHOQ-UHFFFAOYSA-N 215.592 1.875 5 50 BDBA Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)O 266313 UHDDZDBGJPLMET-UHFFFAOYSA-N 247.638 1.618 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])ncc1Br 91297562 MPPXDSQZQIBCRT-UHFFFAOYSA-N 247.004 1.451 5 50 BDBA Cc1c(C(N)=O)cnn1-c1ccc([N+](=O)[O-])cc1 985376 ZENMCBGFXQLMFS-UHFFFAOYSA-N 246.226 1.188 5 50 BDBA C[C@@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1 3137058 URBPRESWNDSZNO-MUWHJKNJSA-N 225.200 1.349 5 50 BDBA O=C(O)c1cc2c([N+](=O)[O-])cccc2[nH]1 34284047 MDWCXENHATUMDQ-UHFFFAOYSA-N 206.157 1.774 5 50 BDBA in-vitro CC(=O)Nc1cc(F)c(F)cc1[N+](=O)[O-] 4348056 OJFQFPPFAFOXAQ-UHFFFAOYSA-N 216.143 1.831 5 50 BDBA in-vitro NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 5568040 DPCCEABSUFIEKX-UHFFFAOYSA-N 200.581 1.347 5 50 BDBA in-vitro O=[N+]([O-])c1cnn2c1NCC[C@H]2C(F)(F)F 1857783013 IVFSTLHTFXBEMY-YFKPBYRVSA-N 236.153 1.710 5 50 BDBA CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899514 IFIZCLBWDPSXDM-JTQLQIEISA-N 237.259 1.517 5 50 BDBA CC(=O)c1cccc([N+](=O)[O-])c1C(=O)O 34566207 VWPOICRZRFJFMA-UHFFFAOYSA-N 209.157 1.496 5 50 BDBA CCOC(=O)Cc1cccc([N+](=O)[O-])c1 34425467 GVSTWFAYXHCBTH-UHFFFAOYSA-N 209.201 1.700 5 50 BDBA in-vitro CCCN(CCO)Cc1ccc([N+](=O)[O-])cc1 215708 RDNBSWVMGMMAPX-UHFFFAOYSA-N 238.287 1.799 5 50 BDBA O=[N+]([O-])c1ccncc1N1CC(F)(F)C1 169725783 JZEOCFQGBQQJGM-UHFFFAOYSA-N 215.159 1.445 5 50 BDBA Nc1cc([N+](=O)[O-])ccc1Br 2510112 BAAUCXCLMDAZEL-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA in-vitro O=C(O)c1ccc(NCCCO)c([N+](=O)[O-])c1 3877941 HXZJEJVVAPWYER-UHFFFAOYSA-N 240.215 1.087 5 50 BDBA CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 37064474 RYLZLMQAPRFIML-UHFFFAOYSA-N 248.235 1.032 5 50 BDBA O=[N+]([O-])c1ccc(-n2cncn2)c(Cl)c1 111552181 OLZCZHOPNAVSFO-UHFFFAOYSA-N 224.607 1.829 5 50 BDBA CC1(C)NC(=O)c2cc([N+](=O)[O-])ccc21 118149922 LQWDYKNVIZRQSN-UHFFFAOYSA-N 206.201 1.573 5 50 BDBA in-vitro O=C(O)Cc1cc(Cl)ccc1[N+](=O)[O-] 32208269 ISSGDBWGQCOTNA-UHFFFAOYSA-N 215.592 1.875 5 50 BDBA in-vitro O=[N+]([O-])c1cnn(CC2CC(F)(F)C2)c1 295648138 CTOUOSLKYFINEQ-UHFFFAOYSA-N 217.175 1.837 5 50 BDBA O=C(O)c1ncc(C(F)(F)F)cc1[N+](=O)[O-] 47212301 VFMOFYUJXZZVGL-UHFFFAOYSA-N 236.105 1.707 5 50 BDBA in-vitro O=[N+]([O-])c1ccccc1N1CCCS1(=O)=O 95495561 NZSQAOFLIWSBBN-UHFFFAOYSA-N 242.256 1.135 5 50 BDBA in-vitro O=c1[nH]c(C(F)(F)F)cc(O)c1[N+](=O)[O-] 63772331 RNRDDIRUBACPKU-UHFFFAOYSA-N 224.094 1.008 5 50 BDBA O=C(c1ccccc1[N+](=O)[O-])N1CCCC1 103206 WBTLBXTZTHPWQZ-UHFFFAOYSA-N 220.228 1.831 5 50 BDBA O=[N+]([O-])c1cc2c(cc1-n1ccnc1)OCO2 55104549 PBBZTWZMOGNBAI-UHFFFAOYSA-N 233.183 1.509 5 50 BDBA COC(=O)Cc1ccc([N+](=O)[O-])c(O)c1 118894030 GKMFAKNUHMDTJS-UHFFFAOYSA-N 211.173 1.016 5 50 BDBA COc1cc(N2CC[C@H](O)C2)ccc1[N+](=O)[O-] 74929917 IRPVQBHMMZEOMC-VIFPVBQESA-N 238.243 1.174 5 50 BDBA CCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 8698535 BFEJCZKSFRXXDG-UHFFFAOYSA-N 213.164 1.911 5 50 BDBA in-vitro COc1cc(OC)c([N+](=O)[O-])cc1C=O 448008 APRQSFZNTDDXNQ-UHFFFAOYSA-N 211.173 1.425 5 50 BDBA CCOc1ccc([N+](=O)[O-])cc1CC(=O)O 3750871 RWCLZHCZCNDTTA-UHFFFAOYSA-N 225.200 1.621 5 50 BDBA in-vitro O=c1oc2ccccc2c(O)c1[N+](=O)[O-] 6576220 NZQAQAUWFHMVEM-UHFFFAOYSA-N 207.141 1.407 5 50 BDBA biogenic O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC1 1228313 SVJVFDYJYQLYHT-UHFFFAOYSA-N 234.255 1.760 5 50 BDBA Cc1nn(Cc2ccc(C=O)o2)c(C)c1[N+](=O)[O-] 2505984 IJNGVKGADNONOL-UHFFFAOYSA-N 249.226 1.862 5 50 BDBA Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1 137314609 KERMQEPCZAFEFF-UHFFFAOYSA-N 205.173 1.953 5 50 BDBA O=C(O)CCNc1ncc([N+](=O)[O-])cc1F 263519098 QBPOQGAWONEUGC-UHFFFAOYSA-N 229.167 1.016 5 50 BDBA CC(=O)n1ncc2cc([N+](=O)[O-])ccc21 16124239 JWCNYGFAYNMHPZ-UHFFFAOYSA-N 205.173 1.605 5 50 BDBA in-vitro C[C@H](OS(=O)(=O)O)c1ccccc1[N+](=O)[O-] 44672351 CZYUMQYCQYJCSF-LURJTMIESA-N 247.228 1.475 5 50 BDBA in-vitro COc1cc(C(=O)O)c(F)cc1[N+](=O)[O-] 116833565 JXCYBTVSPGQRCM-UHFFFAOYSA-N 215.136 1.441 5 50 BDBA in-vitro O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCCO1 155756962 HQZFDECIZYCDFC-UHFFFAOYSA-N 238.199 1.078 5 50 BDBA CCCCNC(=O)c1ccc([N+](=O)[O-])cn1 95495963 PCTHYKZDUGQVRA-UHFFFAOYSA-N 223.232 1.520 5 50 BDBA O=C(O)c1cc([N+](=O)[O-])c(O)cc1Cl 87489317 POXKNUFPZVKHIL-UHFFFAOYSA-N 217.564 1.652 5 50 BDBA in-vitro COC(=O)c1c[nH]c2ncc([N+](=O)[O-])cc12 96372364 GMLPCJJUCWEWJO-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA in-vitro Cc1c([N+](=O)[O-])n[nH]c1Br 1857783237 BDKHIUDBMMPVPL-UHFFFAOYSA-N 205.999 1.389 5 50 BDBA N=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1 4997403 DYDDHDYEKOMLGR-YVMONPNESA-N 249.251 1.733 5 50 BDBA COC(=O)c1cccc([N+](=O)[O-])c1OC 32189881 PDQVHYWBXXTBTM-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1 4118967 RINDRBNZJSXBCH-SECBINFHSA-N 221.260 1.393 5 50 BDBA Cn1nc([N+](=O)[O-])nc1Oc1ccccc1 269338 CMCHVGUODVTURB-UHFFFAOYSA-N 220.188 1.516 5 50 BDBA O=c1[nH]cc(Br)cc1[N+](=O)[O-] 8698072 WXRLCVUDLFFTFF-UHFFFAOYSA-N 218.994 1.046 5 50 BDBA in-vitro Nc1cccc([N+](=O)[O-])c1Br 34321082 GDKBUWQOCGJBFX-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA COC[C@@H](COc1cccnc1[N+](=O)[O-])OC 585118814 CSVIJUINIRFLAL-QMMMGPOBSA-N 242.231 1.030 5 50 BDBA N=c1[nH]c(N2CC[C@H]3CCC[C@@H]32)ncc1[N+](=O)[O-] 408361619 HYOCPTFUSKRQNQ-SFYZADRCSA-N 249.274 1.176 5 50 BDBA CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 12336460 SROHNFZTTHLMQF-UHFFFAOYSA-N 223.184 1.341 5 50 BDBA in-vitro N=c1nc(O)c2c(Cl)c([N+](=O)[O-])ccc2[nH]1 498049408 SSHAMVIZNDWXKO-UHFFFAOYSA-N 240.606 1.310 5 50 BDBA Cc1cc(C)n(-c2n[nH]c(C)c2[N+](=O)[O-])n1 13122963 FDXAMFDRAQZQOH-UHFFFAOYSA-N 221.220 1.429 5 50 BDBA O=CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6321339 CLROKFGZJKTKOH-UHFFFAOYSA-N 211.133 1.071 5 50 BDBA CCOC(=O)N(OC)c1ncccc1[N+](=O)[O-] 4053310 AXXRTTIYFUDZNY-UHFFFAOYSA-N 241.203 1.514 5 50 BDBA COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(C)=O 6931409 ZNXPKGIFLZPGAH-MRVPVSSYSA-N 239.227 1.960 5 50 BDBA Nc1nc(Cl)c([N+](=O)[O-])c(Cl)n1 88189921 KIOZJDBYVRMAGM-UHFFFAOYSA-N 208.992 1.274 5 50 BDBA in-vitro CCn1cc(Cn2cc([N+](=O)[O-])cn2)cn1 2537628 ZEKYTKFYEAHHPH-UHFFFAOYSA-N 221.220 1.056 5 50 BDBA Cn1nc(C(=O)O)c2cccc([N+](=O)[O-])c21 95743449 UTCNKUIJBXIDOB-UHFFFAOYSA-N 221.172 1.180 5 50 BDBA COc1cc([N+](=O)[O-])c(C(=O)O)cc1O 12480445 VAFJDIUJDDCMHN-UHFFFAOYSA-N 213.145 1.007 5 50 BDBA biogenic,in-vitro O=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4052624 CRGRJUULGQHKOZ-UHFFFAOYSA-N 220.228 1.764 5 50 BDBA in-vitro O=C(CN1CCCC1)Nc1ccccc1[N+](=O)[O-] 5064191 YYCQXBBDQJKXFJ-UHFFFAOYSA-N 249.270 1.629 5 50 BDBA O=C(O)c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 6222039 DEIMZQAJDJJZHH-UHFFFAOYSA-N 237.171 1.131 5 50 BDBA Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1O 35636319 FKHIQXACMFXULG-UHFFFAOYSA-N 222.122 1.901 5 50 BDBA in-vitro O=Cc1ncc(Br)cc1[N+](=O)[O-] 72193757 HDDQWSRCVIZQIJ-UHFFFAOYSA-N 231.005 1.565 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(Cn2ccnn2)c(F)c1 128074073 UBJWYRQOGQONSR-UHFFFAOYSA-N 222.179 1.374 5 50 BDBA O=[N+]([O-])c1ncn(Cc2ccccc2)n1 484238 UKKSDGCKRNHUHY-UHFFFAOYSA-N 204.189 1.235 5 50 BDBA CC(=O)Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 39249378 HILZPWHMDLGSTO-UHFFFAOYSA-N 225.160 1.461 5 50 BDBA CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 284758 YOFNCZSBOQOQKS-UHFFFAOYSA-N 224.216 1.353 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])ccc1C=O 138120576 DPABNAAJVWBNAT-UHFFFAOYSA-N 209.157 1.194 5 50 BDBA CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)C1 174848 BNILDNQGLCOHLV-UHFFFAOYSA-N 219.200 1.707 5 50 BDBA COC[C@H](O)CNc1cccc(C)c1[N+](=O)[O-] 170602858 AMLIZLMIOPEETO-SECBINFHSA-N 240.259 1.322 5 50 BDBA CCOC(=O)Cc1cccc([N+](=O)[O-])c1O 201919958 AUDRCYIIHUYFND-UHFFFAOYSA-N 225.200 1.406 5 50 BDBA C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 263753516 SWHRJNCRTDBFSS-MRVPVSSYSA-N 207.233 1.836 5 50 BDBA CCOC(=O)c1c(C(C)=O)cccc1[N+](=O)[O-] 71774383 LYVZYVQSRNCXGQ-UHFFFAOYSA-N 237.211 1.974 5 50 BDBA CC(C)[C@H](O)COc1cccnc1[N+](=O)[O-] 300851986 HKOGAXILLTVNEZ-MRVPVSSYSA-N 226.232 1.386 5 50 BDBA C[C@H]([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-] 167805 FCWYFQGGRBDNRW-MUWHJKNJSA-N 207.185 1.563 5 50 BDBA in-vitro O=C(O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 3634411 IBTMBLNQUGWDNZ-UHFFFAOYSA-N 237.171 1.131 5 50 BDBA Cc1n[nH]c(N2CCCCC2)c1[N+](=O)[O-] 15919687 YHPDGPCBJKDJJO-UHFFFAOYSA-N 210.237 1.617 5 50 BDBA O=C(O)[C@H]1CCCN1c1ncccc1[N+](=O)[O-] 4037094 RQFITJCVQDONTL-MRVPVSSYSA-N 237.215 1.043 5 50 BDBA in-vitro CONC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 119995810 OJXSUAPRHMUUHI-UHFFFAOYSA-N 239.231 1.895 5 50 BDBA O=C(O)CCC1([N+](=O)[O-])CCCCC1 300740 XXXQETGJIDWHGR-UHFFFAOYSA-N 201.222 1.831 5 50 BDBA biogenic,in-vitro C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccn(C)n1 1307137923 AGKLUKBLNHMKGX-SSDOTTSWSA-N 248.246 1.291 5 50 BDBA O=[N+]([O-])c1ccc([C@@H]2CCS(=O)(=O)C2)cc1 3076361 GPFDJHWOJOCPMW-SECBINFHSA-N 241.268 1.497 5 50 BDBA CN(C)CCC(=O)c1cccc([N+](=O)[O-])c1 446294 SJICOWGLWXIDAC-UHFFFAOYSA-N 222.244 1.729 5 50 BDBA O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1Cl 2170796 CITWEOYYERBMKY-UHFFFAOYSA-N 237.620 1.495 5 50 BDBA O=C(O)C(F)(F)c1ccc([N+](=O)[O-])cc1 38537281 RZESONLWCQFNHX-UHFFFAOYSA-N 217.127 1.771 5 50 BDBA in-vitro CCOC(=O)Cc1ccccc1[N+](=O)[O-] 81223 CJHXMQCYEILGFT-UHFFFAOYSA-N 209.201 1.700 5 50 BDBA in-vitro CCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] 5063891 UASFPQFXTGUKDO-UHFFFAOYSA-N 237.259 1.906 5 50 BDBA O=[N+]([O-])c1ccccc1SNCO 3468209 NBCAMGVPUYASFZ-UHFFFAOYSA-N 200.219 1.141 5 50 BDBA N[C@@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 93283 SJBFILRQMRECCK-QMMMGPOBSA-N 210.189 1.069 5 50 BDBA in-vitro COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 58027 XANZFICLJFFUKG-UHFFFAOYSA-N 237.167 1.415 5 50 BDBA biogenic,in-vitro COC(=O)c1c(OC)ccc([N+](=O)[O-])c1F 261508244 QTSOEFBZUZVBMR-UHFFFAOYSA-N 229.163 1.529 5 50 BDBA CON(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 3086092 VKFWVHMGZMSNCQ-UHFFFAOYSA-N 239.231 1.928 5 50 BDBA O=C(O)C(=O)c1ccc(F)c([N+](=O)[O-])c1 218432314 WDRIBUSFNVKGIQ-UHFFFAOYSA-N 213.120 1.001 5 50 BDBA COc1ccc([N+](=O)[O-])cc1NC(C)=O 1233194 LNEITKYWXMCTLP-UHFFFAOYSA-N 210.189 1.562 5 50 BDBA O=[N+]([O-])c1ccc(NC2CCNCC2)cc1 37116585 ZVUIRBSSLUXSGZ-UHFFFAOYSA-N 221.260 1.759 5 50 BDBA CC(C)(C)C(=O)OCn1ccnc1[N+](=O)[O-] 863949202 TWCAXMOOONVNEE-UHFFFAOYSA-N 227.220 1.338 5 50 BDBA CC(=O)NCCc1ccc([N+](=O)[O-])cc1 1665956 DIRUSBMKFDPKDI-UHFFFAOYSA-N 208.217 1.273 5 50 BDBA O=[N+]([O-])c1ccc(CN2CCC[C@@H](O)C2)cc1 238626 JZGUMNUJINRTOF-GFCCVEGCSA-N 236.271 1.552 5 50 BDBA O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccccc2)N1 1301201 GAGVVGLUMJMUDP-KOLCDFICSA-N 220.228 1.283 5 50 BDBA CC1=CN(c2cccc([N+](=O)[O-])c2)NO1 198847252 NIUSZGUWMIWTBH-UHFFFAOYSA-N 207.189 1.712 5 50 BDBA Cn1c(=O)n(C)c2cc(/C=C/[N+](=O)[O-])ccc21 205471 CMZDYDPTEGREDP-AATRIKPKSA-N 233.227 1.124 5 50 BDBA biogenic Cc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] 44713476 YVVZWEJZESFFDB-UHFFFAOYSA-N 235.287 1.655 5 50 BDBA CN1CCN(Cc2ccc([N+](=O)[O-])s2)CC1 40791 MONUCAGHYAVLMP-UHFFFAOYSA-N 241.316 1.404 5 50 BDBA CNc1ncc([N+](=O)[O-])cc1Br 18227796 QZCMEVYKSCAWAI-UHFFFAOYSA-N 232.037 1.794 5 50 BDBA O=C(O)c1cc(Cl)ccc1[N+](=O)[O-] 1689765 ZKUYSJHXBFFGPU-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])CNCC2 2325704358 BLDXVKRMQXQEJK-UHFFFAOYSA-N 223.188 1.149 5 50 BDBA CC(C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 283862 UAORFCGRZIGNCI-NSHDSACASA-N 224.260 1.626 5 50 BDBA in-man O=[N+]([O-])c1cc2c(cc1Cl)OCO2 95094122 GWDKDQSLKYJHKS-UHFFFAOYSA-N 201.565 1.977 5 50 BDBA COC(=O)C1(c2ccccc2[N+](=O)[O-])CC1 642880870 PMHKBNOKSRRPIA-UHFFFAOYSA-N 221.212 1.799 5 50 BDBA Sc1nnc2nc3[nH]c4ccccc4c3nn12 5731712 OQNXOURTVCUVNO-UHFFFAOYSA-N 242.267 1.443 5 50 BDBA Cc1n[nH]c(-n2nnc3ccccc32)c1[N+](=O)[O-] 340591 ZWGCOGRBPKTKCC-UHFFFAOYSA-N 244.214 1.360 5 50 BDBA Cc1cc([N+](=O)[O-])c(NC[C@@H](C)O)cc1N 4036478 RNEXDEKSLDKWNY-SSDOTTSWSA-N 225.248 1.278 5 50 BDBA COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 6826126 KGFCIPHXOPFPRK-MRVPVSSYSA-N 239.227 1.844 5 50 BDBA CS(=O)(=O)Oc1ccc(F)cc1[N+](=O)[O-] 111337833 CZTCTRLQTDRPGL-UHFFFAOYSA-N 235.192 1.072 5 50 BDBA O=c1ccc2[n+]([O-])c3ccc(O)cc3oc-2c1 3793896 PLXBWHJQWKZRKG-UHFFFAOYSA-N 229.191 1.237 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(N2CCNCC2)c1 4244898 LHHZRIYUOZPKSG-UHFFFAOYSA-N 207.233 1.004 5 50 BDBA in-vivo CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cn1 65337539 CNEIYPZSICGVHK-UHFFFAOYSA-N 237.259 1.447 5 50 BDBA in-vitro O=C(NC1CC1)c1cccc([N+](=O)[O-])c1 452073 BAUAOOIIPHFRKR-UHFFFAOYSA-N 206.201 1.487 5 50 BDBA in-vitro CCS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 105520331 QRLVYWVPKPUBJJ-UHFFFAOYSA-N 229.257 1.530 5 50 BDBA Nc1cccc(Br)c1[N+](=O)[O-] 6130139 GLKHLBAXHLAQBJ-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA in-vitro CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 5508875 UPFXGZRGZGFYDC-UHFFFAOYSA-N 209.205 1.688 5 50 BDBA CCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 166893849 KMINZYZEIGHLAP-UHFFFAOYSA-N 244.272 1.381 5 50 BDBA CCn1cnc2ccc([N+](=O)[O-])cc2c1=O 8401957 YGHZIYFKMZBUQU-UHFFFAOYSA-N 219.200 1.325 5 50 BDBA CCOc1ccc([N+](=O)[O-])c(C(N)=O)c1 95496071 BPKZNMWFVAMQFH-UHFFFAOYSA-N 210.189 1.092 5 50 BDBA Cc1nccn1-c1ccc([N+](=O)[O-])c(C(=O)O)c1 22221474 IUFVLPIIHJXSCC-UHFFFAOYSA-N 247.210 1.787 5 50 BDBA in-vitro C[C@@H]1CC(=O)N(C)c2ccc([N+](=O)[O-])cc2N1 4004794 AMDPZJLNUGMMFC-SSDOTTSWSA-N 235.243 1.762 5 50 BDBA Cc1cc(F)c([N+](=O)[O-])cc1S(C)(=O)=O 154136 KHAYNDCHBKGURZ-UHFFFAOYSA-N 233.220 1.446 5 50 BDBA in-vitro C[C@H](O)c1nc2cc([N+](=O)[O-])ccc2n1C 40101 FEZKCWBNANSUJS-LURJTMIESA-N 221.216 1.535 5 50 BDBA O=C(O)Cc1cc([N+](=O)[O-])ccc1Cl 347460 KNCGDIHMXCSJDC-UHFFFAOYSA-N 215.592 1.875 5 50 BDBA O=c1[nH]c2cc(Cl)cc([N+](=O)[O-])c2o1 22054749 CRZGVTHVMCEWRC-UHFFFAOYSA-N 214.564 1.683 5 50 BDBA in-vitro O=[N+]([O-])c1ccc([C@@H]2OCOC[C@@H]2O)cc1 31377 JEAGEBJAKVKMBE-UWVGGRQHSA-N 225.200 1.001 5 50 BDBA CCOC(=O)COc1ccc([N+](=O)[O-])cc1 78019 DYHFNINPHJQASC-UHFFFAOYSA-N 225.200 1.537 5 50 BDBA O=[N+]([O-])c1cc(C(F)(F)F)cnc1O 3887770 JYXKHKBZLLIWEV-UHFFFAOYSA-N 208.095 1.714 5 50 BDBA in-vitro CCOC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 373463 ZIYBFZRUEWANGK-UHFFFAOYSA-N 241.247 1.361 5 50 BDBA C[N+]1([C@H]2CC[C@H]3CC[C@H]2C3=O)CCCC1 105185981 VLPNZOYKFIEKFZ-UTUOFQBUSA-N 208.325 1.985 5 50 BDBA C[C@H]1CC(=O)N(C)c2ccc([N+](=O)[O-])cc2N1 4004796 AMDPZJLNUGMMFC-ZETCQYMHSA-N 235.243 1.762 5 50 BDBA COC(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 6844761 LJMPXVKLAYAYAI-QMMMGPOBSA-N 239.227 1.844 5 50 BDBA O=[N+]([O-])c1ccc([C@@H]2NCCS2)cc1 19911744 FMRGPMCASSSEHQ-SECBINFHSA-N 210.258 1.930 5 50 BDBA in-vitro C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1 4118969 RINDRBNZJSXBCH-VIFPVBQESA-N 221.260 1.393 5 50 BDBA NNc1ccc(Br)cc1[N+](=O)[O-] 12359528 RMMLHCYLAJHQDI-UHFFFAOYSA-N 232.037 1.643 5 50 BDBA in-vitro C[C@H](O)CNc1ccc([N+](=O)[O-])c2ncccc12 4046018 PZVGFZDQRWMZMC-QMMMGPOBSA-N 247.254 1.936 5 50 BDBA CC1(C)CN(c2cccc([N+](=O)[O-])c2)C1=O 1383235 VCZWLLLEYGGSRR-UHFFFAOYSA-N 220.228 1.968 5 50 BDBA COc1c(N)cc(F)c([N+](=O)[O-])c1F 1772575841 QWLHYONWYHNMQU-UHFFFAOYSA-N 204.132 1.464 5 50 BDBA Nc1nc(Br)ccc1[N+](=O)[O-] 21985743 YRXZIHANXVKUHP-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro C[n+]1c2cc(N)ccc2cc2ccc(N)cc21 3775641 XSIOKTWDEOJMGG-UHFFFAOYSA-O 224.287 1.982 5 50 BDBA aggregator,world O=C(O)c1ncc(-c2cccc([N+](=O)[O-])c2)cn1 675069486 HRADQFHRMKFQQZ-UHFFFAOYSA-N 245.194 1.750 5 50 BDBA Cn1ncnc1Sc1ccccc1[N+](=O)[O-] 170613069 YTIRPYXPQNLFKE-UHFFFAOYSA-N 236.256 1.875 5 50 BDBA Cc1nn(C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 95630348 BDFNCVSBBDMLAH-UHFFFAOYSA-N 227.220 1.883 5 50 BDBA in-vitro c1ccc2c(c1)n[n+]1c3ccccc3[nH]n21 11525731 RASKWZFMGKEGOQ-UHFFFAOYSA-N 209.232 1.554 5 50 BDBA C[C@H]1CC(C)(C)[N+]2(CCS(=O)(=O)CC2)C1 1775988876 NRMYGPJDLUHFQG-JTQLQIEISA-N 232.369 1.050 5 50 BDBA CC(C)[C@@H](O)COc1cccnc1[N+](=O)[O-] 300851988 HKOGAXILLTVNEZ-QMMMGPOBSA-N 226.232 1.386 5 50 BDBA O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1Cl 1688383 RPKWNMFDAOACCX-UHFFFAOYSA-N 237.620 1.495 5 50 BDBA in-vitro Nc1ccc(Br)c([N+](=O)[O-])c1N 21303883 UJXICRJJECIZTR-UHFFFAOYSA-N 232.037 1.522 5 50 BDBA in-vitro CC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)O 2557815 BZJNECLYYSXWTC-MRVPVSSYSA-N 225.200 1.837 5 50 BDBA CC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)O 1621825 OAYHLMVCNPUEPI-UHFFFAOYSA-N 224.172 1.251 5 50 BDBA COc1cc(CC(C)=O)c([N+](=O)[O-])cc1OC 2518659 BJUAXCDPZFOSMH-UHFFFAOYSA-N 239.227 1.744 5 50 BDBA COCC(=O)Nc1cc([N+](=O)[O-])ccc1F 2993297 WVRPJLQDADKGON-UHFFFAOYSA-N 228.179 1.319 5 50 BDBA CN(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1 2493753 HTTUKHGCWVKCBM-UHFFFAOYSA-N 237.303 1.588 5 50 BDBA COC(=O)c1ccc([N+](=O)[O-])cc1OC(F)F 217627914 GSOZWPGELSLWEH-UHFFFAOYSA-N 247.153 1.983 5 50 BDBA Cc1cc([N+](=O)[O-])c(NCCN)c([N+](=O)[O-])c1 3877757 YYDUAKWHVQRKCS-UHFFFAOYSA-N 240.219 1.182 5 50 BDBA O=[N+]([O-])c1cccc(S(=O)(=O)O)c1Cl 3209697 IXSMZHBEKVLFQI-UHFFFAOYSA-N 237.620 1.495 5 50 BDBA CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC2)n1 376132 FEQCFSRRASNDNI-UHFFFAOYSA-N 238.247 1.047 5 50 BDBA CCNc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 4558896 BFJZKEZZZONBAR-UHFFFAOYSA-N 246.244 1.273 5 50 BDBA CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 4977684 FTWAMEGOZZYQHK-UHFFFAOYSA-N 235.287 1.342 5 50 BDBA Cc1cc(Cl)cc(C(N)=O)c1[N+](=O)[O-] 307394308 DBYMNDYYTIDJAJ-UHFFFAOYSA-N 214.608 1.656 5 50 BDBA CC(C)NC(=O)c1ccc([N+](=O)[O-])cc1 298821 YQLNAYKZWIVHIN-UHFFFAOYSA-N 208.217 1.733 5 50 BDBA in-vitro O=[N+]([O-])c1cnccc1Br 14982291 KVZNAGBWCCVHKG-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA in-vitro O=[N+]([O-])c1cnn(Cc2ccc(F)cc2)c1 2537713 QJQZITCHBPNXHO-UHFFFAOYSA-N 221.191 1.979 5 50 BDBA Cc1c[n+]([O-])c(Br)cc1[N+](=O)[O-] 2023590 LUUOUEOEHQBXSX-UHFFFAOYSA-N 233.021 1.299 5 50 BDBA COCCCNc1ccc([N+](=O)[O-])cn1 19894063 XRNKQYFNGGZNCN-UHFFFAOYSA-N 211.221 1.438 5 50 BDBA in-vitro CN(C)CCNc1cc(F)ccc1[N+](=O)[O-] 52119071 YNJHWNSWHUEMEJ-UHFFFAOYSA-N 227.239 1.707 5 50 BDBA O=C(O)c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-] 2540295 BVXNARQDSJOTOW-UHFFFAOYSA-N 230.107 1.340 5 50 BDBA CS(=O)(=O)[C@@H](N=O)c1cccc([N+](=O)[O-])c1 71780971 WWXHDFDIYHWKEN-MRVPVSSYSA-N 244.228 1.404 5 50 BDBA O=C(O)/C=C/c1c(F)cc(F)cc1[N+](=O)[O-] 263622770 ATVVTPKWMDAGBL-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA O=C(NCc1ccccn1)c1ccc([N+](=O)[O-])o1 272449 RRUCAAUZCDYXHK-UHFFFAOYSA-N 247.210 1.513 5 50 BDBA O=[N+]([O-])c1ccc(CO)c(Br)c1 37460598 SKFLKCLXNZFRNN-UHFFFAOYSA-N 232.033 1.850 5 50 BDBA O=C(NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 34582694 LNOQWKNOCVOCDX-UHFFFAOYSA-N 248.160 1.887 5 50 BDBA O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1Cl 90483868 XXLFCBBWDXLUOK-UHFFFAOYSA-N 208.988 1.535 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(CN2CCOCC2)c1 19634232 MORMTYLSFKKOGP-UHFFFAOYSA-N 222.244 1.427 5 50 BDBA O=C1CSC(Nc2ccc([N+](=O)[O-])cc2)=N1 4952492 JYLJFZSISBAXEA-UHFFFAOYSA-N 237.240 1.636 5 50 BDBA COc1ccc(OC)c([N+](=O)[O-])c1OC 261494359 VTQJJNUGVFKMSU-UHFFFAOYSA-N 213.189 1.621 5 50 BDBA N[C@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1 1235005 JVQPVKJZKRICRR-MRVPVSSYSA-N 210.189 1.069 5 50 BDBA in-vitro CN(C)CCCOc1ccccc1[N+](=O)[O-] 2823389 ASJDAANUCGWJJC-UHFFFAOYSA-N 224.260 1.925 5 50 BDBA COC(Cc1ccccc1[N+](=O)[O-])OC 38524222 SFJXRPYEEMNGOJ-UHFFFAOYSA-N 211.217 1.756 5 50 BDBA in-vitro CCN(C(C)=O)c1ccc([N+](=O)[O-])cn1 196207181 DTVOEVFIAAUKAO-UHFFFAOYSA-N 209.205 1.363 5 50 BDBA in-vitro Nc1ccc(-c2c[nH]cn2)cc1[N+](=O)[O-] 13140596 GMDRZPXZLMEHPZ-UHFFFAOYSA-N 204.189 1.567 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(F)cc1C 64370276 JUCFNZJKUATDQS-UHFFFAOYSA-N 213.164 1.829 5 50 BDBA in-vitro O=[N+]([O-])c1cnn(Cc2ccccc2)c1 614310 IYZHZCMFLIKMSN-UHFFFAOYSA-N 203.201 1.840 5 50 BDBA in-vitro COc1cc(OC)c([N+](=O)[O-])c(C(=O)O)c1 5046491 UNEDSISIPFONDA-UHFFFAOYSA-N 227.172 1.310 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(C)s1 1701153 QXIFGUCZQLEFBZ-UHFFFAOYSA-N 201.203 1.751 5 50 BDBA in-vitro COC(=O)Nc1ccc(C(C)=O)c([N+](=O)[O-])c1 91693052 XOIUHNSDCPXIAQ-UHFFFAOYSA-N 238.199 1.976 5 50 BDBA Nc1c(F)cc([N+](=O)[O-])cc1[N+](=O)[O-] 135955237 RKDWBNIFALNXQD-UHFFFAOYSA-N 201.113 1.224 5 50 BDBA CS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 15443220 WZDJGBZROJQCSA-UHFFFAOYSA-N 219.193 1.137 5 50 BDBA in-vitro CC(=O)CC(=O)Nc1cc([N+](=O)[O-])ccc1C 449475 JTVHJWVDFCVGBG-UHFFFAOYSA-N 236.227 1.821 5 50 BDBA O=[N+]([O-])c1ccc(F)cc1NN1CCOCC1 148500886 CLBXVIGIMRBVHZ-UHFFFAOYSA-N 241.222 1.393 5 50 BDBA NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4755330 KKXFFJLUJRUDIO-UHFFFAOYSA-N 249.270 1.684 5 50 BDBA O=C(O)c1nc(Cl)ccc1[N+](=O)[O-] 67175737 MHDMSQFCLBRNES-UHFFFAOYSA-N 202.553 1.341 5 50 BDBA in-vitro Nc1nc(Cl)nc2cc([N+](=O)[O-])ccc12 26899344 OJTHHPQACVQRRT-UHFFFAOYSA-N 224.607 1.774 5 50 BDBA O=[N+]([O-])c1ccc([C@@H]2OCN3COC[C@@H]23)cc1 19203807 DBDXAJVSKWAGLH-QWRGUYRKSA-N 236.227 1.282 5 50 BDBA C[C@@H]1CC(=O)NN=C1c1ccc(N)c([N+](=O)[O-])c1 3878059 QABZKECKKQKKQZ-ZCFIWIBFSA-N 248.242 1.037 5 50 BDBA NC(=O)c1cc(N2CCCC2)ccc1[N+](=O)[O-] 3884478 AAZGZPUPRNPHNJ-UHFFFAOYSA-N 235.243 1.294 5 50 BDBA C[C@@H](OS(=O)(=O)O)c1ccccc1[N+](=O)[O-] 44672353 CZYUMQYCQYJCSF-ZCFIWIBFSA-N 247.228 1.475 5 50 BDBA in-vitro CCOC(=O)[C@@H](C)CC(C)(C)[N+](=O)[O-] 2141625 ZYITYBRNICMCRU-ZETCQYMHSA-N 203.238 1.631 5 50 BDBA O=[N+]([O-])c1ccc(N2CCC[C@H](O)C2)cc1 4773233 QZGBEKMQNFGXSX-NSHDSACASA-N 222.244 1.556 5 50 BDBA NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 4905784 ZQJMTLPHIAVUPR-UHFFFAOYSA-N 249.270 1.297 5 50 BDBA COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 4137263 KXCFNKMJVAQREM-UHFFFAOYSA-N 247.210 1.772 5 50 BDBA COC(=O)CCc1ccc([N+](=O)[O-])cc1 34217130 IKQURJGGVJNQJF-UHFFFAOYSA-N 209.201 1.700 5 50 BDBA CCCn1ncc([N+](=O)[O-])c1Br 95704772 RVMLCXOVQARJRB-UHFFFAOYSA-N 234.053 1.964 5 50 BDBA Nc1ccc([N+](=O)[O-])cc1Br 3882907 CGPPWNTVTNCHDO-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA O=[N+]([O-])c1ccc2c(c1O)CCC[C@@H]2O 71773379 USELYHOTSBMMNB-VIFPVBQESA-N 209.201 1.670 5 50 BDBA CON(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 83795533 SRCZLVFHISZNCN-UHFFFAOYSA-N 244.634 1.882 5 50 BDBA CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 3342694 CWGQPJLXSDTODA-UHFFFAOYSA-N 215.230 1.388 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(Cl)c2c1no[n+]2[O-] 1307025 IWKPOHLVJRTYGQ-UHFFFAOYSA-N 215.552 1.023 5 50 BDBA CS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1841390 RAXJLPRGSRMIGR-UHFFFAOYSA-N 235.648 1.652 5 50 BDBA NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 6062446 KECLWJHPOYLZHY-UHFFFAOYSA-N 230.607 1.112 5 50 BDBA in-vitro CC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)nc1C 32814 RYKUMLMFDMCFLZ-UHFFFAOYSA-N 246.226 1.687 5 50 BDBA CC(=O)N(C(C)=O)c1cc([N+](=O)[O-])ccc1C 1559203 ZBZUKDFISYFGJU-UHFFFAOYSA-N 236.227 1.803 5 50 BDBA COc1ccc([N+](=O)[O-])cc1[C@@H](O)CC(C)=O 5017947 MKTFIKYMHQLEDD-JTQLQIEISA-N 239.227 1.616 5 50 BDBA COCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 458289 MTINYARLRNISBG-UHFFFAOYSA-N 244.634 1.833 5 50 BDBA O=C(Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCCO1 4459611 HQJCQJRUKQPOMY-MRVPVSSYSA-N 237.215 1.107 5 50 BDBA C[C@H](O)CN(c1ncccc1[N+](=O)[O-])C1CC1 585091305 AHVFUPQIVYPZQW-QMMMGPOBSA-N 237.259 1.339 5 50 BDBA Cc1ccccc1C(=O)n1cc([N+](=O)[O-])cn1 37170 ORXYMBYYSLQOLK-UHFFFAOYSA-N 231.211 1.788 5 50 BDBA in-vivo S=C1[N]N=C(c2ccncc2)[N+]12CCCCC2 334156962 LGIJFQWBZPHDCT-UHFFFAOYSA-N 246.339 1.647 5 50 BDBA COc1cc(Cl)c([N+](=O)[O-])nc1OC 169725180 ZUOGVXFPKFMNCU-UHFFFAOYSA-N 218.596 1.660 5 50 BDBA C[C@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1 3137057 URBPRESWNDSZNO-RCOVLWMOSA-N 225.200 1.349 5 50 BDBA C[C@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12 3877830 VWUXWRWIZJOJRF-QMMMGPOBSA-N 247.254 1.936 5 50 BDBA NCCCCNc1ccc([N+](=O)[O-])cc1 4851822 KBSICLVSAKPMCY-UHFFFAOYSA-N 209.249 1.746 5 50 BDBA O=[N+]([O-])c1ncccc1Br 2454936 WFNISJZUJCKTLT-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA in-vitro COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1O 40449960 JUPAQXIPCUOHNL-UHFFFAOYSA-N 231.591 1.740 5 50 BDBA CC(=O)Nc1cc([N+](=O)[O-])c(C)s1 4977263 FUJUYDIHWQFLAU-UHFFFAOYSA-N 200.219 1.923 5 50 BDBA CNC(=S)Nc1cccc([N+](=O)[O-])c1 13523081 AGQDJPDOWZYDHG-UHFFFAOYSA-N 211.246 1.511 5 50 BDBA N=c1[nH]c(N2CC[C@@H]3CCC[C@H]32)ncc1[N+](=O)[O-] 408361618 HYOCPTFUSKRQNQ-JGVFFNPUSA-N 249.274 1.176 5 50 BDBA O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1693340 KCNISYPADDTFDO-UHFFFAOYSA-N 226.144 1.130 5 50 BDBA in-vitro CC(=N)c1c(O)c2cc([N+](=O)[O-])ccc2oc1=O 4130777 ZHAYSTCRNULHMW-UHFFFAOYSA-N 248.194 1.795 5 50 BDBA biogenic Cc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O 4548498 AIQHVXHIXVZPIN-UHFFFAOYSA-N 230.245 1.275 5 50 BDBA CN1CCN(c2ccc([N+](=O)[O-])c(C=O)c2)CC1 168485910 MNVUYQMGLWLWAJ-UHFFFAOYSA-N 249.270 1.159 5 50 BDBA O=C(O)Cc1ccc(Cl)c([N+](=O)[O-])c1 4202340 WUXCECMNMNJYSC-UHFFFAOYSA-N 215.592 1.875 5 50 BDBA in-vitro COC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 3161141 GQPWXQIRPQMEIJ-UHFFFAOYSA-N 240.171 1.598 5 50 BDBA biogenic,in-vitro N[C@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 93281 SJBFILRQMRECCK-MRVPVSSYSA-N 210.189 1.069 5 50 BDBA in-vitro COC(=O)c1cc(C=O)cc([N+](=O)[O-])c1 34520566 VWRFFTKYHYLALS-UHFFFAOYSA-N 209.157 1.194 5 50 BDBA in-vitro O=[N+]([O-])c1ccccc1CN1CCOCC1 19635045 PIIFPIILUANPKB-UHFFFAOYSA-N 222.244 1.427 5 50 BDBA O=[N+]([O-])C[C@H](O)c1cc([N+](=O)[O-])ccc1Cl 44126366 ITTRNIDYUSGJDP-QMMMGPOBSA-N 246.606 1.558 5 50 BDBA O=C(OC[C@H]1CO1)c1ccc([N+](=O)[O-])cc1 2597082 MUWIANZPEBMVHH-SECBINFHSA-N 223.184 1.150 5 50 BDBA CNC(=O)c1cc([N+](=O)[O-])ccc1-n1ccnc1 226818187 GYLCVQGMJBPOTG-UHFFFAOYSA-N 246.226 1.140 5 50 BDBA O=[N+]([O-])c1ccc(NCc2cccnc2)nc1 19737389 KWVKMVGNOIJINA-UHFFFAOYSA-N 230.227 1.997 5 50 BDBA CC(C)Nc1nc(Cl)ncc1[N+](=O)[O-] 4243354 XGDPRAOPHIPUTB-UHFFFAOYSA-N 216.628 1.859 5 50 BDBA in-vitro C[C@H]1SCC[C@@]1(Br)[N+](=O)[O-] 958528922 YPBPQHVJAJYWTH-RFZPGFLSSA-N 226.095 1.880 5 50 BDBA O=C(O)Cn1ccc(-c2ccc([N+](=O)[O-])cc2)n1 2567191 ITCBOUXODIHCKC-UHFFFAOYSA-N 247.210 1.543 5 50 BDBA Cn1c(S)nnc1-c1ccc([N+](=O)[O-])cc1 4693875 QTRCEHLRXNOPRR-UHFFFAOYSA-N 236.256 1.679 5 50 BDBA c1ccc2c(c1)[nH]c1nc3ncnn3nc12 350728 HZGJLKYWSCDAIK-UHFFFAOYSA-N 210.200 1.154 5 50 BDBA CCOC(=O)c1cn2cc([N+](=O)[O-])cc(C)c2n1 216709350 XMLAYEQYFFCAPQ-UHFFFAOYSA-N 249.226 1.728 5 50 BDBA O=C(O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 240399 IUDLIFNJGGQWBX-UHFFFAOYSA-N 238.199 1.398 5 50 BDBA CC[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)O 6048939 BZJNECLYYSXWTC-QMMMGPOBSA-N 225.200 1.837 5 50 BDBA NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 156690 MKHXTOPPKVFSFI-UHFFFAOYSA-N 200.581 1.347 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(CN2CCC(O)CC2)s1 40763 SDBZSKZXHJZHPN-UHFFFAOYSA-N 242.300 1.613 5 50 BDBA CC[C@@H](C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 12493693 IHCPDBBYTYJYIL-NXEZZACHSA-O 246.327 1.125 5 50 BDBA endogenous,in-man CCOC(=O)c1ccc([N+](=O)[O-])s1 1735154 COLIROLDWDCDLN-UHFFFAOYSA-N 201.203 1.833 5 50 BDBA C[N+](C)(C)C[C@@H](O)CSCc1ccccc1 4831680 IPUWLJCMFZKPEZ-CYBMUJFWSA-N 240.392 1.987 5 50 BDBA Nc1ccc(Br)c(N)c1[N+](=O)[O-] 95217843 AETWZHQHNSBJHG-UHFFFAOYSA-N 232.037 1.522 5 50 BDBA O=C(O)c1c[nH]c2cc([N+](=O)[O-])ccc12 1631248 MWFVAHOPRCFNCA-UHFFFAOYSA-N 206.157 1.774 5 50 BDBA in-vitro CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 4216123 SGWXKSCZDKMSLI-UHFFFAOYSA-N 230.245 1.040 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(Br)cc1CO 95496026 UGQKJJIHTCXFJT-UHFFFAOYSA-N 232.033 1.850 5 50 BDBA in-vitro O=C(CN1CCCC1)Nc1cccc([N+](=O)[O-])c1 5063265 AHTUMAGTWLKKBZ-UHFFFAOYSA-N 249.270 1.629 5 50 BDBA CCOc1cc([N+](=O)[O-])c(C=O)cc1OC 466468 JKWFOUAOSIGNKD-UHFFFAOYSA-N 225.200 1.815 5 50 BDBA CC1(C)Oc2ccc([N+](=O)[O-])nc2NC1=O 38540286 QPNDHHGIJAMRMD-UHFFFAOYSA-N 223.188 1.099 5 50 BDBA in-vitro CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC 126294442 HRKYCCUCNAUPKP-UHFFFAOYSA-N 244.272 1.065 5 50 BDBA O=C1CCC(=O)N1c1ccccc1[N+](=O)[O-] 5091238 LRSVOVGJEHQTBL-UHFFFAOYSA-N 220.184 1.248 5 50 BDBA O=[N+]([O-])c1ccc(-[n+]2ccccc2)c([N+](=O)[O-])c1 4015802 MCNUBLFKORCVGA-UHFFFAOYSA-N 246.202 1.780 5 50 BDBA in-vitro CCOC(=O)COc1cc(F)ccc1[N+](=O)[O-] 6401658 QZZLVMOMZIKKFW-UHFFFAOYSA-N 243.190 1.676 5 50 BDBA COC(=O)c1ccnc(Cl)c1[N+](=O)[O-] 97757496 IKVUHYWOJCHEGA-UHFFFAOYSA-N 216.580 1.430 5 50 BDBA in-vitro Cc1ccc(Oc2nc([N+](=O)[O-])nn2C)cc1 2830142 JXCLSPLJLNIIIE-UHFFFAOYSA-N 234.215 1.824 5 50 BDBA O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC2)c1 4369135 MHHCAIGIVXSRPA-UHFFFAOYSA-N 242.256 1.036 5 50 BDBA COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 44199965 MMDKJGMVXBELQV-UHFFFAOYSA-N 220.184 1.863 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(C)=O 6928858 ZNXPKGIFLZPGAH-QMMMGPOBSA-N 239.227 1.960 5 50 BDBA CONC(=O)c1cc([N+](=O)[O-])ccc1F 86437337 AZXNXULSOMXPON-UHFFFAOYSA-N 214.152 1.025 5 50 BDBA Cc1nn([C@H](C)C(=O)O)c(C)c1[N+](=O)[O-] 809524 CANKNXFHGALOMF-ZCFIWIBFSA-N 213.193 1.054 5 50 BDBA in-vitro Nc1ccc([N+](=O)[O-])c(Br)c1 16124036 RLAIFIDRVAAEBW-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA in-vitro CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 5059688 ZFMAIPDVEPSWEH-UHFFFAOYSA-N 238.243 1.500 5 50 BDBA O=c1ccc([N+](=O)[O-])cn1CC1CCC1 172899497 VDKRSDMOVZUPHV-UHFFFAOYSA-N 208.217 1.557 5 50 BDBA CS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1509333 JAANTSGNTKWLFA-UHFFFAOYSA-N 235.648 1.652 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(-c2nnc(S)o2)c1 1604484 WRBROPFHVKCQKV-UHFFFAOYSA-N 223.213 1.934 5 50 BDBA in-vitro O=[N+]([O-])c1cc([S@@](=O)O)sc1Cl 125981482 WFXQYTVECVWSIU-UHFFFAOYSA-N 227.650 1.890 5 50 BDBA Cc1ncc([N+](=O)[O-])n1CCc1ccncc1 1882 ARYPMCPJIWUCIP-UHFFFAOYSA-N 232.243 1.737 5 50 BDBA in-man O=[N+]([O-])c1ccccc1CSC[C@H](O)CO 86660434 NKXJHFUYKHKQSS-SECBINFHSA-N 243.284 1.181 5 50 BDBA O=[N+]([O-])c1ccnn1Cc1ccccc1 34740968 RJFGWYJJOPSQAF-UHFFFAOYSA-N 203.201 1.840 5 50 BDBA COc1ccc([N+](=O)[O-])cc1Cn1ccnn1 253426191 POCOLUUBWPSQEB-UHFFFAOYSA-N 234.215 1.243 5 50 BDBA CC[N+](C)(C)CCSCC[N+](C)(C)CC 1999127 DNGWFBRFKCEWOW-UHFFFAOYSA-N 234.453 1.912 5 50 BDBA in-man O=[n+]1c2ccccc2n(O)c2ccccc21 138253880 OINNCVINXPJGJH-UHFFFAOYSA-N 213.216 1.946 5 50 BDBA O=C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 238791272 PIZMEPYSMAMXFS-UHFFFAOYSA-N 238.218 1.903 5 50 BDBA O=[N+]([O-])c1cc(Br)ccc1CO 22016660 VEVBVFGGMFKIBA-UHFFFAOYSA-N 232.033 1.850 5 50 BDBA in-vitro CCNC(=O)Cc1cccc([N+](=O)[O-])c1 141643506 PDTTYMPWUZUGPY-UHFFFAOYSA-N 208.217 1.273 5 50 BDBA CCN(CC)c1cc(N)c([N+](=O)[O-])cn1 669382468 AMAOIWTZZPAVFT-UHFFFAOYSA-N 210.237 1.418 5 50 BDBA O=[N+]([O-])c1ccc(CN2CCC[C@@H]2CO)cc1 213004 DVGSEEFTCOOVQE-GFCCVEGCSA-N 236.271 1.552 5 50 BDBA O=[N+]([O-])c1ccc(F)cc1CN1CCOCC1 47540447 MSYZJTAIVNWEMI-UHFFFAOYSA-N 240.234 1.566 5 50 BDBA O=[N+]([O-])c1cccc(OCCn2ccnc2)c1 4842489 WITOOSRPFRQFRJ-UHFFFAOYSA-N 233.227 1.870 5 50 BDBA CC(=O)O[C@H]1C[C@H](n2cnc([N+](=O)[O-])c2)C1 261300741 YCDQAVAXJSNPIC-ZKCHVHJHSA-N 225.204 1.058 5 50 BDBA CC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 4128024 XXIBEYUXYNJBKQ-UHFFFAOYSA-N 220.228 1.894 5 50 BDBA in-vitro COC(=O)c1cc([N+](=O)[O-])cc2[nH]ncc12 14983026 HOJSKHUYDHPZKX-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA in-vitro CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 83795116 XKUWFOLUVIUQNO-UHFFFAOYSA-N 228.635 1.998 5 50 BDBA C[C@@H](CNc1cccnc1[N+](=O)[O-])c1ncc[nH]1 1775986784 ZLYSLDPOOVODIV-QMMMGPOBSA-N 247.258 1.929 5 50 BDBA COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1591844 DKQXESBKFCYESZ-AATRIKPKSA-N 207.185 1.781 5 50 BDBA in-vitro O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)on1 13776362 UADDGBIOHFWIDV-UHFFFAOYSA-N 234.167 1.948 5 50 BDBA in-vitro CC(C)(C)c1noc(-c2cc([N+](=O)[O-])n[nH]2)n1 417251511 IHCQPIFGKDUCOY-UHFFFAOYSA-N 237.219 1.665 5 50 BDBA CCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 238259576 IPFWAPVWVAMRQW-UHFFFAOYSA-N 211.173 1.477 5 50 BDBA CNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 615486 OXYZBKZUDUGFJN-UHFFFAOYSA-N 248.194 1.061 5 50 BDBA NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2506794 LIDIBDAQJHIRBO-UHFFFAOYSA-N 234.133 1.713 5 50 BDBA CCOC(=O)[C@@H]1O[C@H]1c1ccccc1[N+](=O)[O-] 3080810 QLEAKRPFCAMLIY-VHSXEESVSA-N 237.211 1.598 5 50 BDBA COC(=O)c1cc(O)c(OC)cc1[N+](=O)[O-] 13335551 ZKUUVVYMPUDTGJ-UHFFFAOYSA-N 227.172 1.096 5 50 BDBA in-vitro Nc1c([N+](=O)[O-])cnc(Cl)c1[N+](=O)[O-] 169804146 QZMZMIBQIBGLHW-UHFFFAOYSA-N 218.556 1.134 5 50 BDBA Cn1c2ccc([N+](=O)[O-])cc2c2c(=O)[nH]ccc21 207772 LRVPPJBHTGJTDY-UHFFFAOYSA-N 243.222 1.928 5 50 BDBA O=C1CCN(c2ccccc2[N+](=O)[O-])CC1 4755526 KFCBYJUYIXACNE-UHFFFAOYSA-N 220.228 1.764 5 50 BDBA O=Cc1ccc2cccnc2c1[N+](=O)[O-] 26438466 CGYVBVWBGRTQJQ-UHFFFAOYSA-N 202.169 1.956 5 50 BDBA in-vitro Cc1cnn(C(=O)c2ccccc2[N+](=O)[O-])c1 1055226 DPNRBLKNNDKNQT-UHFFFAOYSA-N 231.211 1.788 5 50 BDBA COCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 4342206 BHISPOONATWIKL-UHFFFAOYSA-N 224.216 1.488 5 50 BDBA CCOc1cc([N+](=O)[O-])ccc1NC(C)=O 5061120 XZWVZJDHIDYKPB-UHFFFAOYSA-N 224.216 1.952 5 50 BDBA in-vitro O=[N+]([O-])c1c(-c2cn[nH]c2)n[nH]c1-c1cn[nH]c1 13126934 OMPHEYNAVULYPH-UHFFFAOYSA-N 245.202 1.098 5 50 BDBA CCCCS(=O)(=O)Cc1ccc([N+](=O)[O-])o1 6635754 VMFUKYVBATUXSR-UHFFFAOYSA-N 247.272 1.903 5 50 BDBA CC(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2472052 IMRZQROLAZHXHR-UHFFFAOYSA-N 244.272 1.282 5 50 BDBA in-vitro CN(C)c1ncc(Br)cc1[N+](=O)[O-] 14400971 SZNVATVPNHSUOD-UHFFFAOYSA-N 246.064 1.818 5 50 BDBA in-vitro COCCNC(=O)c1cccc(C)c1[N+](=O)[O-] 2830661 QQFDHSUEKLOAIX-UHFFFAOYSA-N 238.243 1.279 5 50 BDBA Cc1c(C(=O)NC2CC2)cccc1[N+](=O)[O-] 452399 GYLGATBQQDBKSW-UHFFFAOYSA-N 220.228 1.795 5 50 BDBA O=[N+]([O-])c1ncn(Cc2ccccc2F)n1 6829328 CRDIWVPDAWVLGS-UHFFFAOYSA-N 222.179 1.374 5 50 BDBA CN(c1ccc([N+](=O)[O-])cc1F)C1COC1 1615586661 DAQSYNXKBGGRSG-UHFFFAOYSA-N 226.207 1.569 5 50 BDBA COc1cc([N+](=O)[O-])c(Br)cc1N 207038483 XHRQBNRTVKAMBD-UHFFFAOYSA-N 247.048 1.948 5 50 BDBA COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 6826125 KGFCIPHXOPFPRK-QMMMGPOBSA-N 239.227 1.844 5 50 BDBA COC(=O)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 40545749 ZFFAVWPYHIIMBG-UHFFFAOYSA-N 241.199 1.025 5 50 BDBA CCn1c(=O)oc2cc([N+](=O)[O-])ccc21 64307388 KASMUJRVIWHUJM-UHFFFAOYSA-N 208.173 1.523 5 50 BDBA in-vitro CO[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1 167014320 WEKZKECPYBZNCJ-VIFPVBQESA-N 224.260 1.719 5 50 BDBA COc1ccc(OC)c([N+](=O)[O-])c1C=O 163311 IOHYBMYWODOPEY-UHFFFAOYSA-N 211.173 1.425 5 50 BDBA in-vitro N=C(N)SCc1ccc([N+](=O)[O-])o1 4284709 LCVGRGCSZQLCAN-UHFFFAOYSA-N 201.207 1.314 5 50 BDBA O=[N+]([O-])c1ccc(N2CCSCC2)nc1 19640566 SSBPVVRBRDAFOL-UHFFFAOYSA-N 225.273 1.543 5 50 BDBA CCCNC(=O)c1cccc([N+](=O)[O-])c1 1867049 YLLMRPZZVCEHRO-UHFFFAOYSA-N 208.217 1.735 5 50 BDBA in-vitro C[C@@]1(c2cccc([N+](=O)[O-])c2)COC(=O)N1 585139443 XXMWEORTULSPPN-JTQLQIEISA-N 222.200 1.550 5 50 BDBA O=[N+]([O-])c1ccccc1SC[C@H](O)CO 86659868 PTZKUQASYFAMRP-SSDOTTSWSA-N 229.257 1.040 5 50 BDBA CC[C@@](C)(O)Cn1nc([N+](=O)[O-])cc1C 123850010 WBYFZKFHFONOCW-SECBINFHSA-N 213.237 1.261 5 50 BDBA CN[C@H](C)CNc1ncc([N+](=O)[O-])cc1Cl 261574107 JBJBPASQASQHFU-ZCFIWIBFSA-N 244.682 1.663 5 50 BDBA COc1cc(CC(=O)O)ccc1[N+](=O)[O-] 77032307 CWAJOYCYODQOML-UHFFFAOYSA-N 211.173 1.231 5 50 BDBA COC(=O)COc1ccc([N+](=O)[O-])cc1 80505 ZZVXTAUUUUCLAG-UHFFFAOYSA-N 211.173 1.147 5 50 BDBA CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1562202 WGJQPJOLPLYFJH-UHFFFAOYSA-N 210.145 1.706 5 50 BDBA CCOCC(=O)Nc1ccc([N+](=O)[O-])cc1C 4700337 UQCYCYKJOGXLNZ-UHFFFAOYSA-N 238.243 1.878 5 50 BDBA C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O 20149767 FELSXTCZSJSHHZ-LURJTMIESA-N 242.256 1.665 5 50 BDBA in-vitro COc1ccc2cc3cnc(N)nc3nc2c1 12404970 GENDRBULWHXXIO-UHFFFAOYSA-N 226.239 1.769 5 50 BDBA O=[N+]([O-])c1ncn(Cc2ccccc2Cl)n1 113888 DOYLZOLXEWBCKM-UHFFFAOYSA-N 238.634 1.888 5 50 BDBA O=[N+]([O-])c1ncccc1N1CCC(F)(F)C1 169725776 MFRGVXDZNJJUAH-UHFFFAOYSA-N 229.186 1.835 5 50 BDBA CC(=O)Oc1cc2c(cc1[N+](=O)[O-])OCO2 1584073 DECGMUJJYLXRPA-UHFFFAOYSA-N 225.156 1.249 5 50 BDBA Nc1cc2nc3ccccc3nc2cc1N 3878528 VZPGINJWPPHRLS-UHFFFAOYSA-N 210.240 1.947 5 50 BDBA biogenic,in-vitro CCOc1cc(C=O)cc([N+](=O)[O-])c1O 89169 MDWLNBVKBMKTKN-UHFFFAOYSA-N 211.173 1.512 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(Cn2ccnc2)cc1 1027711 FLYGQJXMRPZYHQ-UHFFFAOYSA-N 203.201 1.840 5 50 BDBA in-vivo Cc1cc(N2CCOCC2)cc([N+](=O)[O-])c1N 35904940 BQZOMWPTJWWTMQ-UHFFFAOYSA-N 237.259 1.322 5 50 BDBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)NCC2 4762150 IQBPCKCYMCICBK-UHFFFAOYSA-N 209.161 1.471 5 50 BDBA CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 238257390 HSDRLCWIGMIANC-UHFFFAOYSA-N 210.189 1.050 5 50 BDBA CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 261493838 KFWZGDLLYPSFTI-UHFFFAOYSA-N 224.216 1.440 5 50 BDBA Cc1cc(N)n(-c2ccc([N+](=O)[O-])cc2)n1 283507 TVXCGEBTCKIPNH-UHFFFAOYSA-N 218.216 1.671 5 50 BDBA in-vitro O=c1[nH]c2cc([N+](=O)[O-])cc(Cl)c2[nH]1 196729479 IDBOQUPQKHBUPC-UHFFFAOYSA-N 213.580 1.418 5 50 BDBA COC(=O)Cc1cc(F)c(F)c([N+](=O)[O-])c1 260138930 MSJFKEFXPXOZPA-UHFFFAOYSA-N 231.154 1.589 5 50 BDBA C[C@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O 11691855 KBLXGQKTRWROCS-RXMQYKEDSA-N 208.173 1.314 5 50 BDBA in-vitro CC1=C([N+](=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C 191043 WWSRVSLYAAVSEL-SNVBAGLBSA-N 247.254 1.891 5 50 BDBA N[C@@H](CC(=O)O)c1ccccc1[N+](=O)[O-] 161426 XXBOYULKNZTOMN-ZETCQYMHSA-N 210.189 1.069 5 50 BDBA in-vitro COc1ccc(OCC(=O)O)cc1[N+](=O)[O-] 40546324 BPVVZMTXRDBQGR-UHFFFAOYSA-N 227.172 1.067 5 50 BDBA O=C(O)CSc1ccc([N+](=O)[O-])cc1 375249 AMSJBNMFXXARTQ-UHFFFAOYSA-N 213.214 1.772 5 50 BDBA in-vitro O=[N+]([O-])c1cccc([C@@H]2[N@@]3CCCC[N@@]23)c1 1857524870 GDEXTJXCOGKQBM-XYYAHUGASA-N 219.244 1.920 5 50 BDBA O=C1CCCN1c1ccccc1[N+](=O)[O-] 7002384 USJGMOBQPGMBCB-UHFFFAOYSA-N 206.201 1.722 5 50 BDBA in-vitro CN(O)C(=O)Nc1ccc([N+](=O)[O-])cc1 3997413 QDWDPUOZHMWVAO-UHFFFAOYSA-N 211.177 1.448 5 50 BDBA O=C1C=CC(=O)N1c1cccc([N+](=O)[O-])c1 102567 CJENYVWFVWQVPS-UHFFFAOYSA-N 218.168 1.024 5 50 BDBA biogenic,in-vitro COC[C@H](C)NCc1ccc([N+](=O)[O-])cc1 2768531 SJNSLXDMVRQGGZ-VIFPVBQESA-N 224.260 1.719 5 50 BDBA in-vitro O=C(O)c1n[nH]c2ccc([N+](=O)[O-])cc12 4237920 MLTOGNYOQHDCAN-UHFFFAOYSA-N 207.145 1.169 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])cc1/C=C\C(N)=O 309237010 JLDGIXKRKOONAR-DJWKRKHSSA-N 222.200 1.102 5 50 BDBA CCOc1cc([N+](=O)[O-])ccc1S(C)(=O)=O 95218024 WGPAAEJKCKFUFX-UHFFFAOYSA-N 245.256 1.397 5 50 BDBA CS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 42684383 NIAYCKUEQBPTDM-UHFFFAOYSA-N 219.193 1.137 5 50 BDBA in-vitro Nc1cc(Br)ccc1[N+](=O)[O-] 19801685 RMIFLIVHJLREFJ-UHFFFAOYSA-N 217.022 1.940 5 50 BDBA in-vitro O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1764711 ZIIGSRYPZWDGBT-UHFFFAOYSA-N 212.117 1.201 5 50 BDBA O=[N+]([O-])c1ccc(NCCO)c(Cl)c1 4125233 XFQSQNIUFIONHC-UHFFFAOYSA-N 216.624 1.652 5 50 BDBA CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1 37248056 OZFUFLXVRLCAHE-UHFFFAOYSA-N 212.180 1.484 5 50 BDBA CN(C)c1ccc(C(=O)O)cc1[N+](=O)[O-] 3887890 ZXBMWJZLUDXEPS-UHFFFAOYSA-N 210.189 1.359 5 50 BDBA in-vitro O=C(O)Cc1cc(F)cc([N+](=O)[O-])c1F 263624068 NCXCCGDMAKVMMT-UHFFFAOYSA-N 217.127 1.500 5 50 BDBA O=C(c1cccc([N+](=O)[O-])c1)N1CCOCC1 103314 ODNSILCPLROTCN-UHFFFAOYSA-N 236.227 1.067 5 50 BDBA CC(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 72446988 VELMFSUEGUVHCX-NSHDSACASA-N 224.260 1.626 5 50 BDBA CC(C)NC(=O)c1cccc([N+](=O)[O-])c1 559609 LAZHBIZCDHGGKL-UHFFFAOYSA-N 208.217 1.733 5 50 BDBA in-vitro CCOC(=O)c1cc([N+](=O)[O-])cnc1C 370806 PBYXNPIXRRSBFZ-UHFFFAOYSA-N 210.189 1.475 5 50 BDBA C[C@H](CO)N(C)CCc1ccc([N+](=O)[O-])cc1 135504336 GHRIFHTYMWZIIM-SNVBAGLBSA-N 238.287 1.450 5 50 BDBA COC(=O)CCNc1ccccc1[N+](=O)[O-] 37485715 NWUWUSMSFPYYES-UHFFFAOYSA-N 224.216 1.570 5 50 BDBA O=Cc1cc(N2CCSC2)ccc1[N+](=O)[O-] 169725300 LXSJHLRGPQEJOM-UHFFFAOYSA-N 238.268 1.918 5 50 BDBA O=[N+]([O-])c1c[nH]c2ncc(Br)nc12 219347447 VQKDSESFZOLVBL-UHFFFAOYSA-N 243.020 1.629 5 50 BDBA COC(=O)c1ccc(-c2cc[nH]n2)c([N+](=O)[O-])c1 311015134 KQANEIMWGYYHEL-UHFFFAOYSA-N 247.210 1.772 5 50 BDBA CCN(c1ccccc1[N+](=O)[O-])S(C)(=O)=O 87493564 DKUPMKLBKNFBNA-UHFFFAOYSA-N 244.272 1.381 5 50 BDBA Nc1ncc([N+](=O)[O-])cc1Br 19735915 OFXNHXMPRZDIDM-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 3887540 TWOZXWGNMBEDKH-UHFFFAOYSA-N 204.189 1.567 5 50 BDBA in-vitro CNC(=O)Oc1ccc(Cl)cc1[N+](=O)[O-] 59844452 TYKJQVANQJJEDM-UHFFFAOYSA-N 230.607 1.966 5 50 BDBA Cc1cc(Cn2cccc([N+](=O)[O-])c2=O)no1 225533662 CNCZDJSYNMGUPT-UHFFFAOYSA-N 235.199 1.101 5 50 BDBA CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1F 5171431 UDWKPLLNAQEMPI-UHFFFAOYSA-N 234.208 1.105 5 50 BDBA O=[N+]([O-])c1cccc(N2CCOCC2)c1 1063739 DKECFAGKGYRYAT-UHFFFAOYSA-N 208.217 1.431 5 50 BDBA in-vitro O=C(Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCCO1 4460346 MFWGPLVDBLCMBX-YFKPBYRVSA-N 243.244 1.169 5 50 BDBA CCn1ncc(Cn2cc([N+](=O)[O-])cn2)c1C 2537635 RTRZWMAMETWYSO-UHFFFAOYSA-N 235.247 1.364 5 50 BDBA CN(C)C(=O)c1noc2cc([N+](=O)[O-])ccc12 3050984 CDFZSCCBYFRXCK-UHFFFAOYSA-N 235.199 1.438 5 50 BDBA CCOC(=O)Cc1ccc(F)c([N+](=O)[O-])c1 98213415 ASOMZDWTSDPDEU-UHFFFAOYSA-N 227.191 1.840 5 50 BDBA in-vitro COc1ccc(CO)c([N+](=O)[O-])c1OC 345308 BDBDNDCRZNEDAC-UHFFFAOYSA-N 213.189 1.104 5 50 BDBA CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 1705957 RMWYWQJCJOEMTR-UHFFFAOYSA-N 241.159 1.167 5 50 BDBA C[N+](C)(C)C[C@H](O)CSCc1ccccc1 402565 IPUWLJCMFZKPEZ-ZDUSSCGKSA-N 240.392 1.987 5 50 BDBA C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 20413924 OEWWQMFPALMWEF-IUCAKERBSA-N 237.259 1.603 5 50 BDBA CC(=O)NCc1cc(F)ccc1[N+](=O)[O-] 1772572474 DYKDICMGAYHPML-UHFFFAOYSA-N 212.180 1.370 5 50 BDBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C1CC1 30947867 JUBSKRFXBSEHIZ-UHFFFAOYSA-N 232.195 1.353 5 50 BDBA CN(C)C(=O)Nc1ccccc1CC[N+](=O)[O-] 1403009 SQOKFACLDGDZMZ-UHFFFAOYSA-N 237.259 1.599 5 50 BDBA O=[N+]([O-])c1ccc2c(O)ncc(F)c2c1 261508009 OUIGMPDTRBYKJN-UHFFFAOYSA-N 208.148 1.988 5 50 BDBA Cc1[nH]c(=N[C@H](C)c2cc[nH]n2)ccc1[N+](=O)[O-] 408515572 JAOIFFPZVQPISG-SSDOTTSWSA-N 247.258 1.616 5 50 BDBA O=C(O)c1ccc2cc([N+](=O)[O-])ccc2n1 26438522 CFOGTLCSNDGABE-UHFFFAOYSA-N 218.168 1.841 5 50 BDBA in-vitro O=C(NC1CC1)c1ccccc1[N+](=O)[O-] 473947 LWENPBZQINYOPC-UHFFFAOYSA-N 206.201 1.487 5 50 BDBA O=[N+]([O-])c1ccc(-c2nn3cnnc3s2)cc1 4840233 ADERUYKTWVOJHR-UHFFFAOYSA-N 247.239 1.761 5 50 BDBA C[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)O 21951909 ICWPKCBMLYYZRP-LURJTMIESA-N 210.189 1.480 5 50 BDBA O=C(NCc1cccnc1)c1ccc([N+](=O)[O-])o1 66714 OBZHOVWNZIVCCZ-UHFFFAOYSA-N 247.210 1.513 5 50 BDBA COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 5880928 NWHFCRJVWNLNHP-ZETCQYMHSA-N 209.201 1.871 5 50 BDBA in-vitro O=[N+]([O-])c1cnc(N2CCCCC2)nc1 5344174 BHMJEQQVWJLRFP-UHFFFAOYSA-N 208.221 1.375 5 50 BDBA COc1ccc([C@@H](O)C[N+](=O)[O-])cc1OC 19909511 AOMQIZUQJSVRST-QMMMGPOBSA-N 227.216 1.014 5 50 BDBA NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3880151 WJBJSMUUWDXKBR-UHFFFAOYSA-N 221.138 1.899 5 50 BDBA in-vitro CCN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 216702795 HLMNFWAJDNMSQU-UHFFFAOYSA-N 244.272 1.381 5 50 BDBA O=C(O)/C=C/c1cc(F)cc(F)c1[N+](=O)[O-] 263623273 GDHVLNMAASLZQZ-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(O)cc1F 575713903 KAJMFQJUVOJDSK-UHFFFAOYSA-N 215.136 1.226 5 50 BDBA CS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 15443091 DMNZSCLCCLDNPZ-UHFFFAOYSA-N 235.648 1.652 5 50 BDBA in-vitro O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC1 336443508 BTYGIVILVUFMOW-UHFFFAOYSA-N 224.191 1.580 5 50 BDBA CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 368873 RLXSSISTKOLICZ-UHFFFAOYSA-N 206.201 1.504 5 50 BDBA in-vitro O=C(O)c1cc(F)cc([N+](=O)[O-])c1O 34513919 ZHNGZUZDZKMLHL-UHFFFAOYSA-N 201.109 1.138 5 50 BDBA in-vitro COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC1 45873 RSNWWQOTIPNZRR-UHFFFAOYSA-N 236.227 1.952 5 50 BDBA CCn1cnc2cc([N+](=O)[O-])c([N+](=O)[O-])cc21 4138409 IVGKVSYBPRQSMU-UHFFFAOYSA-N 236.187 1.873 5 50 BDBA Cc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 138178517 CZVYKJIYDDKUJR-UHFFFAOYSA-N 215.230 1.307 5 50 BDBA O=C(O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 585139472 NZAPSVWWFLQQBM-UHFFFAOYSA-N 239.183 1.454 5 50 BDBA O=[N+]([O-])c1ncn(C[C@@H]2CCC(F)(F)C2)n1 407993807 UQEIBDRIBBEUKM-ZCFIWIBFSA-N 232.190 1.622 5 50 BDBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 3877867 UBLZWKCJZSDBGQ-UWVGGRQHSA-N 235.287 1.781 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])c(N)c(F)c1F 4268503 HOJFIOHGPQOQBF-UHFFFAOYSA-N 232.142 1.242 5 50 BDBA O=Cc1cc([N+](=O)[O-])cc(Br)c1O 152714 BESBCGANGAEHPM-UHFFFAOYSA-N 246.016 1.875 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(C[n+]2ccccc2)cc1 1687713 NQZWJOKNWNCQJK-UHFFFAOYSA-N 215.232 1.931 5 50 BDBA O=Cc1coc2ccc([N+](=O)[O-])cc2c1=O 1081183 JBDRQGWTNRIJRV-UHFFFAOYSA-N 219.152 1.514 5 50 BDBA in-vitro Cc1ccc2[nH]c3nc4nncn4nc3c2c1 5730662 RJHLKJWYPPOQKT-UHFFFAOYSA-N 224.227 1.462 5 50 BDBA C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)O 4105167 BIKAQDFSUOACQG-SCSAIBSYSA-N 245.622 1.528 5 50 BDBA O=CNc1cccc(Br)c1[N+](=O)[O-] 40456592 XWMXJFWDNJOTJI-UHFFFAOYSA-N 245.032 1.926 5 50 BDBA in-vitro Cc1nc(Cl)c(C(N)=O)c(C)c1[N+](=O)[O-] 89501 PVOYXCPVEASOOI-UHFFFAOYSA-N 229.623 1.359 5 50 BDBA CNc1c([N+](=O)[O-])cnn1-c1ccccn1 4050532 ICJYIVZXMUSLDI-UHFFFAOYSA-N 219.204 1.217 5 50 BDBA O=C(O)C(=O)c1cccc([N+](=O)[O-])c1F 725262013 QVUJFPCWXCNOAB-UHFFFAOYSA-N 213.120 1.001 5 50 BDBA Nc1cc(N2CCCC2)ccc1[N+](=O)[O-] 3883989 KZZVVXNPKKQIJZ-UHFFFAOYSA-N 207.233 1.777 5 50 BDBA in-vitro O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)N[C@H](O)C=C2 4531950 OLRJPVGHSUDROC-MRVPVSSYSA-N 237.171 1.260 5 50 BDBA NC(=O)CCNc1ccc([N+](=O)[O-])cc1Cl 4834261 BORJKUFXNTZNLQ-UHFFFAOYSA-N 243.650 1.536 5 50 BDBA COc1cc(F)cc(OC)c1[N+](=O)[O-] 306647437 GISWQRJBYQDLCM-UHFFFAOYSA-N 201.153 1.751 5 50 BDBA CCCCCCNC[C@H](O)C[N+](C)(C)C 71785201 OIDFJRPUHRPSRZ-LBPRGKRZSA-N 217.377 1.223 5 50 BDBA COc1cc(N2CCNCC2)ccc1[N+](=O)[O-] 4455696 HPFKHBWFRKOXLW-UHFFFAOYSA-N 237.259 1.013 5 50 BDBA in-vitro O=[N+]([O-])c1ccc([S@@](=O)O)c(Cl)c1 125976103 RGCNVOVHURGJNT-UHFFFAOYSA-N 221.621 1.829 5 50 BDBA O=C(O)c1cn(-c2ccccc2[N+](=O)[O-])cn1 70144687 DWFBADCKEKTAOF-UHFFFAOYSA-N 233.183 1.479 5 50 BDBA CCOC(=O)[C@H](O)c1ccccc1[N+](=O)[O-] 1510823 ZHZOPDQZNGEBAH-SECBINFHSA-N 225.200 1.191 5 50 BDBA O=C(O)C12C[C@@H]3C[C@H](C1)CC([N+](=O)[O-])(C3)C2 108239 VSRRAGQUKPLYMV-JZVMUCMXSA-N 225.244 1.687 5 50 BDBA CC(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 39238958 GBFWDLQEEMHXME-UHFFFAOYSA-N 229.257 1.777 5 50 BDBA in-vitro CC(=O)c1ccc(SCCO)c([N+](=O)[O-])c1 2156330 WRJDWCSECWKCSW-UHFFFAOYSA-N 241.268 1.882 5 50 BDBA CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 133329 NGRXSVFCLHVGKU-UHFFFAOYSA-N 237.211 1.731 5 50 BDBA CC(=O)Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1 4403209 WIBLBSKESAEFTC-UHFFFAOYSA-N 237.215 1.512 5 50 BDBA O=[N+]([O-])c1cc(Br)ncc1F 230593584 CRUYYUIDRLAKII-UHFFFAOYSA-N 220.985 1.891 5 50 BDBA Nc1cc(Br)ncc1[N+](=O)[O-] 35569725 KBAXIFACFUIWMK-UHFFFAOYSA-N 218.010 1.335 5 50 BDBA in-vitro Cn1nc([N+](=O)[O-])nc1Oc1cccc(O)c1 1430434 YZZRJLPDJVESRP-UHFFFAOYSA-N 236.187 1.221 5 50 BDBA O=[N+]([O-])c1ncn(C[C@H]2CCC(F)(F)C2)n1 407993806 UQEIBDRIBBEUKM-LURJTMIESA-N 232.190 1.622 5 50 BDBA CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 4015944 OJKKTNFCWMBYMT-UHFFFAOYSA-N 206.201 1.504 5 50 BDBA Cc1cc(O)n(-c2ccc([N+](=O)[O-])cc2)n1 100004314 WBEUYYLNOZBSTA-UHFFFAOYSA-N 219.200 1.795 5 50 BDBA O=[N+]([O-])c1cccc2c1OC(F)(F)O2 34743225 HEOPSYMOYVGPSB-UHFFFAOYSA-N 203.100 1.916 5 50 BDBA CCNc1ccc(C(=O)O)cc1[N+](=O)[O-] 3885887 XPLTXYDVYDWSSO-UHFFFAOYSA-N 210.189 1.725 5 50 BDBA in-vitro CC(=O)OCCOc1ccc([N+](=O)[O-])cc1 1577343 GWMKUZOZXKQDFF-UHFFFAOYSA-N 225.200 1.537 5 50 BDBA CCOC(=O)c1cc(C)c([N+](=O)[O-])cn1 91691617 SZHWIVMKQWHMBS-UHFFFAOYSA-N 210.189 1.475 5 50 BDBA in-vitro CC(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1 4290322 KQPGVCMZXFBYMM-UHFFFAOYSA-N 237.211 1.617 5 50 BDBA in-vitro Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 17744339 IQTFBFZCUYGFES-UHFFFAOYSA-N 222.229 1.696 5 50 BDBA in-vitro CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1 5546132 ODNSPFZFMYOBLW-POHAHGRESA-N 232.195 1.911 5 50 BDBA O=C1CC[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N1 1301199 GAGVVGLUMJMUDP-ONGXEEELSA-N 220.228 1.283 5 50 BDBA CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1640871 RIOXTSMUEXTUSK-UHFFFAOYSA-N 228.635 1.950 5 50 BDBA CS(=O)(=O)Nc1cc(F)ccc1[N+](=O)[O-] 149136172 CGBXCAWTYKANIC-UHFFFAOYSA-N 234.208 1.105 5 50 BDBA CCOC(=O)c1ncsc1[N+](=O)[O-] 261286932 YBTVCTRQXZTMOH-UHFFFAOYSA-N 202.191 1.228 5 50 BDBA NC(=O)c1ccc([N+](=O)[O-])cc1Cl 887 GFGSZUNNBQXGMK-UHFFFAOYSA-N 200.581 1.347 5 50 BDBA biogenic,in-man CCCN(CC)c1cc(N)c([N+](=O)[O-])cn1 669383052 WMSGSXVDNILYEH-UHFFFAOYSA-N 224.264 1.808 5 50 BDBA O=[N+]([O-])c1cncc(Br)c1O 4806108 IIIJPRRVYYWKQW-UHFFFAOYSA-N 218.994 1.458 5 50 BDBA in-vitro Cc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 37047 YGVUADRDPKKSRW-UHFFFAOYSA-N 218.216 1.543 5 50 BDBA O=Cc1ccnc2c([N+](=O)[O-])cccc12 1526890 XJYXBOSMRSJTEE-UHFFFAOYSA-N 202.169 1.956 5 50 BDBA CC(=O)c1cc([N+](=O)[O-])c(O)c(C)c1O 3080698 PIYDSCSXFORFEA-UHFFFAOYSA-N 211.173 1.517 5 50 BDBA CC(C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 72446989 VELMFSUEGUVHCX-LLVKDONJSA-N 224.260 1.626 5 50 BDBA CON(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 47219214 PAEJNOYHSZYFMI-UHFFFAOYSA-N 224.216 1.157 5 50 BDBA CC(C)N(C)c1cc(N)c([N+](=O)[O-])cn1 669383020 RUKMVJASXLAHPR-UHFFFAOYSA-N 210.237 1.417 5 50 BDBA O=[N+]([O-])c1ccc(Cl)cc1[S@](=O)O 675059219 DNLHKDKRXUXKRG-UHFFFAOYSA-N 221.621 1.829 5 50 BDBA CCN(C(C)=O)c1cccc([N+](=O)[O-])c1 2164819 UWHBFCJMDCMTGD-UHFFFAOYSA-N 208.217 1.968 5 50 BDBA CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 3075301 ACOSRAUGLQAPTG-UHFFFAOYSA-N 244.272 1.283 5 50 BDBA O=[N+]([O-])c1cc(Cl)ccc1NCCO 4521320 LGGKGPQFSCBUOR-UHFFFAOYSA-N 216.624 1.652 5 50 BDBA O=C1CCCc2cc([N+](=O)[O-])ccc2N1 4747674 ASVGSXZZZWXPRE-UHFFFAOYSA-N 206.201 1.870 5 50 BDBA C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 839735254 ZNRDSQJNWNFYCL-LMLFDSFASA-N 240.303 1.737 5 50 BDBA O=[N+]([O-])c1cc(Br)ccn1 95933444 MCVCQPYYTSNQSG-UHFFFAOYSA-N 202.995 1.752 5 50 BDBA COC(=O)c1cc2c([N+](=O)[O-])cccc2oc1=O 252495759 OZGKAJSAXGNSGW-UHFFFAOYSA-N 249.178 1.488 5 50 BDBA COc1cc(Br)c(N)c([N+](=O)[O-])c1 57353809 FYCRRMSGEDGSFS-UHFFFAOYSA-N 247.048 1.948 5 50 BDBA in-vitro COc1ccc2c(c1[N+](=O)[O-])C(=O)CC2 12371497 VJEWECISSPCJAV-UHFFFAOYSA-N 207.185 1.732 5 50 BDBA C[N+](C)(CCCC(=O)O)C[Si](C)(C)C 195814908 NWLATGCSRKWHLS-UHFFFAOYSA-O 218.393 1.805 5 50 BDBA O=[N+]([O-])c1ccc(Cl)cc1N1CC(CO)C1 225498346 UBZVAONTDAOLMI-UHFFFAOYSA-N 242.662 1.677 5 50 BDBA O=C(Cc1ccccc1[N+](=O)[O-])NC1CC1 617898 ABBVKGHGRRHGRM-UHFFFAOYSA-N 220.228 1.416 5 50 BDBA CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3897720 XEWICNRVCQLKIG-UHFFFAOYSA-N 235.287 1.737 5 50 BDBA COc1c(C)cc([N+](=O)[O-])c(O)c1[N+](=O)[O-] 390835912 ZUZCDRVWQHPLOJ-UHFFFAOYSA-N 228.160 1.526 5 50 BDBA COC(=O)c1cc(F)cc([N+](=O)[O-])c1F 35333532 LASMPKWBIDRHAC-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA in-vitro Cn1c(=O)ccc2cccc([N+](=O)[O-])c21 5816056 UZPWKKBFNVYJPJ-UHFFFAOYSA-N 204.185 1.447 5 50 BDBA O=C(O)C(=O)c1ccc([N+](=O)[O-])cc1F 725261932 NSYDMSCEUDBTQG-UHFFFAOYSA-N 213.120 1.001 5 50 BDBA O=[N+]([O-])c1cc2c(cc1NC1CC1)OCCO2 670429343 ALNSRKXNIWYVPM-UHFFFAOYSA-N 236.227 1.940 5 50 BDBA O=C(O)CCNc1cccc([N+](=O)[O-])c1 5571674 IZZCWSDYYODXRI-UHFFFAOYSA-N 210.189 1.481 5 50 BDBA O=[N+]([O-])c1ccc(N2CCC[C@H](CO)C2)cc1 40412392 GHESWKCVPRIYLS-JTQLQIEISA-N 236.271 1.804 5 50 BDBA O=C(O)/C=C/c1cc(F)c([N+](=O)[O-])cc1F 263624464 QSSXQNMFMPJFMR-OWOJBTEDSA-N 229.138 1.971 5 50 BDBA O=[N+]([O-])c1ccc(-c2nc(S)n[nH]2)cc1 6472566 VLPCRGZHVDUEQX-UHFFFAOYSA-N 222.229 1.669 5 50 BDBA O=C(O)c1ccnc2c([N+](=O)[O-])cccc12 26439129 ORRCVWMWVBLLBR-UHFFFAOYSA-N 218.168 1.841 5 50 BDBA COC(=O)Cc1cccc([N+](=O)[O-])c1C 89157250 XEZMTTYVURPQBC-UHFFFAOYSA-N 209.201 1.619 5 50 BDBA O=[N+]([O-])c1ccccc1SC[C@@H](O)CO 86659869 PTZKUQASYFAMRP-ZETCQYMHSA-N 229.257 1.040 5 50 BDBA CC(=O)Nc1c(F)ccc([N+](=O)[O-])c1F 163324 QWZBLFXPSOQZRQ-UHFFFAOYSA-N 216.143 1.831 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(Cl)c1N1CCNCC1 4132190 GKOXZZHKOZLHRQ-UHFFFAOYSA-N 241.678 1.658 5 50 BDBA CCN(CC)C(=O)c1nn(C)c(C)c1[N+](=O)[O-] 2778900 WGSVPDMMFKEEED-UHFFFAOYSA-N 240.263 1.119 5 50 BDBA NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 225499 GPZRBKWRRKBOAC-UHFFFAOYSA-N 205.217 1.577 5 50 BDBA in-vitro O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 4244822 YTCUAJQXEKPQMF-UHFFFAOYSA-N 233.183 1.683 5 50 BDBA O=Cc1ccc(N2CC(F)(F)C2)cc1[N+](=O)[O-] 169725290 RSAIZQMYSCTNQE-UHFFFAOYSA-N 242.181 1.863 5 50 BDBA O=C(NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])o1 2865237 MTMKZGCFACTEQN-SSDOTTSWSA-N 240.215 1.097 5 50 BDBA CCOc1cc(N)c([N+](=O)[O-])cc1F 4796104 IXBTZWMWZZYTIT-UHFFFAOYSA-N 200.169 1.715 5 50 BDBA CNc1cc2c(cc1[N+](=O)[O-])OCCO2 55175135 FGLJAMZQXJCEQV-UHFFFAOYSA-N 210.189 1.408 5 50 BDBA CCOC(=O)Cc1ccc([N+](=O)[O-])c(O)c1 72267074 RYWWXFRNYIQACB-UHFFFAOYSA-N 225.200 1.406 5 50 BDBA in-vitro COC[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 169949916 XFLKANKCWVJHTL-LURJTMIESA-N 244.272 1.421 5 50 BDBA O=C1CCCN1c1cccc([N+](=O)[O-])c1 1433753 XCCSTAQTJIWEDH-UHFFFAOYSA-N 206.201 1.722 5 50 BDBA in-vitro N=C(N)SCc1ccc([N+](=O)[O-])cc1 4014085 YNTWTDHRYRBPOL-UHFFFAOYSA-N 211.246 1.721 5 50 BDBA in-vivo CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1[N+](=O)[O-] 4797467 HHEFTOKUGQDGPB-UHFFFAOYSA-N 239.187 1.770 5 50 BDBA O=[N+]([O-])c1ncn(Cc2sccc2Cl)n1 241588040 OZCDWGVAPOZFAF-UHFFFAOYSA-N 244.663 1.950 5 50 BDBA O=[N+]([O-])c1cccc(S(=O)(=O)NCl)c1 146218788 PZRVKSIRUAJJTO-UHFFFAOYSA-N 236.636 1.027 5 50 BDBA CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 16678723 CMDZDRYXYNKLNL-UHFFFAOYSA-N 228.635 1.950 5 50 BDBA O=C(O)CSCc1ccc([N+](=O)[O-])cc1 263444 VBACFDMVHJLUGP-UHFFFAOYSA-N 227.241 1.913 5 50 BDBA in-vitro CCn1cnc2cc([N+](=O)[O-])ccc2c1=O 111426 DIEGXPOLRSWFLD-UHFFFAOYSA-N 219.200 1.325 5 50 BDBA O=C(O)C[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 156545 HGBMGRXIQJGDDO-MRVPVSSYSA-N 239.183 1.238 5 50 BDBA C[N+]1(Cc2ccccc2)CCC(=O)CC1 4976418 OXBUCKZAUJPPAG-UHFFFAOYSA-N 204.293 1.996 5 50 BDBA CNc1cc(C(=O)OC)cc([N+](=O)[O-])c1 4982197 MRVNTNUDUAOUIJ-UHFFFAOYSA-N 210.189 1.423 5 50 BDBA CN(C)C(=O)c1ccc(F)c([N+](=O)[O-])c1 32579624 ZPSIPYXUASFMTQ-UHFFFAOYSA-N 212.180 1.436 5 50 BDBA O=[N+]([O-])c1cnc(-n2nccn2)c(Cl)c1 584649063 UOVBIABPHJGCHB-UHFFFAOYSA-N 225.595 1.224 5 50 BDBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnccn1 4996806 IIGBALVHFHBLCX-UHFFFAOYSA-N 244.210 1.637 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1NCCCO 33607679 BUEQGTVYXFOTHO-UHFFFAOYSA-N 214.196 1.528 5 50 BDBA O=[N+]([O-])c1ccc([C@@H]2OCN3COC[C@H]23)cc1 33690814 DBDXAJVSKWAGLH-MNOVXSKESA-N 236.227 1.282 5 50 BDBA O=[N+]([O-])c1cnc2c(F)cccc2c1O 256053046 PTKJZIJHTZWEGE-UHFFFAOYSA-N 208.148 1.988 5 50 BDBA C[C@H]1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1 3912644 FMGIVLIHJCQPJM-ZETCQYMHSA-N 237.263 1.203 5 50 BDBA COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 1081320 PAYWCKGMOYQZAW-UHFFFAOYSA-N 239.183 1.168 5 50 BDBA in-vitro COc1cc([N+](=O)[O-])cc(Br)c1N 4100919 QYLWEPIKPMUYAW-UHFFFAOYSA-N 247.048 1.948 5 50 BDBA in-vitro CC[C@H](CO)NCc1cccc([N+](=O)[O-])c1 4850770 BTQOLHFXAUGYLI-SNVBAGLBSA-N 224.260 1.455 5 50 BDBA COC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 35333545 CRSPPWMPFLPNON-UHFFFAOYSA-N 241.199 1.399 5 50 BDBA COc1c(Br)ccc(N)c1[N+](=O)[O-] 145894793 ZUVPLAXTIHYQOU-UHFFFAOYSA-N 247.048 1.948 5 50 BDBA COC(=O)COc1ccc(OC)c([N+](=O)[O-])c1 20259380 WQXPOLRNVHKOLB-UHFFFAOYSA-N 241.199 1.155 5 50 BDBA N[C@H](CC(=O)O)c1cc([N+](=O)[O-])ccc1Cl 112622 ARSCYPUMJQQUAL-MRVPVSSYSA-N 244.634 1.723 5 50 BDBA COc1cc([N+](=O)[O-])cc(C=O)c1OC 1656232 KYKNZENWQXJPCA-UHFFFAOYSA-N 211.173 1.425 5 50 BDBA O=C(O)Cc1c(Cl)cccc1[N+](=O)[O-] 1705017 KTHGBTRAQOAOBS-UHFFFAOYSA-N 215.592 1.875 5 50 BDBA in-vitro O=C(O)C(=O)c1ccc([N+](=O)[O-])c(F)c1 725261768 GLFSJMXENLDVMY-UHFFFAOYSA-N 213.120 1.001 5 50 BDBA Cn1cn[n+]2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c12 453346 NDSJDSDYZZKPBL-UHFFFAOYSA-O 244.234 1.062 5 50 BDBA O=[N+]([O-])c1ncccc1N1CC(F)(F)C1 169725775 ATQXFKDKUIJHCD-UHFFFAOYSA-N 215.159 1.445 5 50 BDBA c1cnc2cc3nc4c(nc3cc2n1)NON4 189814 PBQKHNNNVYHONB-UHFFFAOYSA-N 226.199 1.257 5 50 BDBA COC(=O)[C@H]1Cc2ccc([N+](=O)[O-])cc2N1 44138726 PEFQAKIOILEYAZ-SECBINFHSA-N 222.200 1.104 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(C2N3CCCN23)c1 19168851 UTMXLMJYPPUYLQ-UHFFFAOYSA-N 205.217 1.530 5 50 BDBA O=[N+]([O-])c1ccc(Sc2ncccn2)nc1 469706 DICHPFGLGPMCCG-UHFFFAOYSA-N 234.240 1.931 5 50 BDBA CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)O 2557814 YPBRRZJQNAFLIJ-SECBINFHSA-N 225.200 1.837 5 50 BDBA O=C1C=CC(=O)N1c1ccccc1[N+](=O)[O-] 3896908 SCXAYTWCHGRQPA-UHFFFAOYSA-N 218.168 1.024 5 50 BDBA biogenic,in-vitro COc1c(F)cc(C(=O)O)cc1[N+](=O)[O-] 35333642 FZVATVOZGBMDRQ-UHFFFAOYSA-N 215.136 1.441 5 50 BDBA in-vitro CC(=O)Nc1ccc(CC(=O)O)cc1[N+](=O)[O-] 90197037 GNUOPHZTNJHKLK-UHFFFAOYSA-N 238.199 1.180 5 50 BDBA in-vitro CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O 4014057 KBIOQQPPUWKAOK-UHFFFAOYSA-N 210.189 1.002 5 50 BDBA Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] 34549799 DYSLEQUCBXITJX-UHFFFAOYSA-N 208.004 1.879 5 50 BDBA in-vitro COC(=O)Cc1cc(F)c(F)cc1[N+](=O)[O-] 206005831 IHEAFDFRXCJRCU-UHFFFAOYSA-N 231.154 1.589 5 50 BDBA O=C(O)c1ncoc1-c1cccc([N+](=O)[O-])c1 15021409 TXIIRMPKHMVIGN-UHFFFAOYSA-N 234.167 1.948 5 50 BDBA in-vitro COCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 2802015 DPAVOTSTTQXHIC-UHFFFAOYSA-N 238.243 1.279 5 50 BDBA COc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-] 2160208 MOUAUTJQGALIRR-UHFFFAOYSA-N 248.194 1.033 5 50 BDBA O=[N+]([O-])c1ccc(OCC(F)F)nc1 12399100 DBWOCTYCWBAVNT-UHFFFAOYSA-N 204.132 1.634 5 50 BDBA COc1cc(OC)cc([N+]2(C)CCOCC2)c1 396330 QELNGMITPKIVQQ-UHFFFAOYSA-N 238.307 1.671 5 50 BDBA CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 5194752 DRXNTJUGFANLMS-UHFFFAOYSA-N 225.273 1.901 5 50 BDBA CC(=O)N(C)c1ccc([N+](C)(C)C)cc1 281862 XDXMRYYMXNQDIA-UHFFFAOYSA-N 207.297 1.866 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1N1CCNCC1 4334531 ZPYLKZRKXDCEQI-UHFFFAOYSA-N 225.223 1.144 5 50 BDBA in-vitro COC(=O)c1sc([N+](=O)[O-])cc1N 4324033 WUOQQUBKJDJZJY-UHFFFAOYSA-N 202.191 1.025 5 50 BDBA in-vitro COC(=O)Cc1cc(F)cc(F)c1[N+](=O)[O-] 263623815 KYDKBLPQUCEYAL-UHFFFAOYSA-N 231.154 1.589 5 50 BDBA COc1c(O)ccc(/C=C/[N+](=O)[O-])c1[N+](=O)[O-] 1680729 ZAUXRJBGUWQKHU-SNAWJCMRSA-N 240.171 1.556 5 50 BDBA Cc1cccc(Cn2cnc([N+](=O)[O-])n2)c1 2526604 YZGZEYNNRSNAPT-UHFFFAOYSA-N 218.216 1.543 5 50 BDBA O=C(O)c1c[nH]c2ccc([N+](=O)[O-])cc12 1692074 OOOJXNVTVWRZMA-UHFFFAOYSA-N 206.157 1.774 5 50 BDBA in-vitro CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 294057 LEJUIMZPXQQQPP-UHFFFAOYSA-N 249.314 1.732 5 50 BDBA NC1=NN=C(c2ccc([N+](=O)[O-])cc2)CS1 616368 KDAVBSGWGBLQKZ-UHFFFAOYSA-N 236.256 1.360 5 50 BDBA CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 1507065 NGMSPEMFJFMGQB-UHFFFAOYSA-N 220.228 1.894 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(Br)c1CCO 35567317 ASQKEECJWGIMFB-UHFFFAOYSA-N 246.060 1.892 5 50 BDBA in-vitro CC1(C)CN(CC[N+](=O)[O-])CCS1 307679890 NUPBVQNBNFZBAP-UHFFFAOYSA-N 204.295 1.091 5 50 BDBA O=C1CCC(=O)N1c1cccc([N+](=O)[O-])c1 439880 PPYFJTUOESMJPP-UHFFFAOYSA-N 220.184 1.248 5 50 BDBA O=[N+]([O-])c1ccc(OCCCn2cncn2)cc1 2845181 AOOIHLJFOSMZBC-UHFFFAOYSA-N 248.242 1.655 5 50 BDBA O=[N+]([O-])c1ccc(NCCCn2ccnc2)nc1 19640889 PACODMUQLZTOQX-UHFFFAOYSA-N 247.258 1.689 5 50 BDBA CC(=O)CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 5518292 ZZSDMAAHJFGGSU-UHFFFAOYSA-N 236.227 1.821 5 50 BDBA COc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 4558828 YMXOMWAFFGHJFC-UHFFFAOYSA-N 238.243 1.440 5 50 BDBA in-vitro Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N 4104314 JGDOQMNPRYXGPA-UHFFFAOYSA-N 237.259 1.322 5 50 BDBA COc1ccc([N+](=O)[O-])cc1[C@H](O)CC(C)=O 2389334 MKTFIKYMHQLEDD-SNVBAGLBSA-N 239.227 1.616 5 50 BDBA Cc1ccc(OCCN(C)C)c([N+](=O)[O-])c1 4907378 VMLDVCLAWICHJF-UHFFFAOYSA-N 224.260 1.844 5 50 BDBA COC(=O)c1cc(OC)c(O)c([N+](=O)[O-])c1 43828194 ZQIHGTCQYHQBMY-UHFFFAOYSA-N 227.172 1.096 5 50 BDBA in-vitro O=[N+]([O-])c1cccc(OC[C@@H]2COCCO2)c1 241897343 TXWJBESCZAIPHH-NSHDSACASA-N 239.227 1.389 5 50 BDBA O=[N+]([O-])c1ccc(CSC2=NCCN2)cc1 2825734 HLDWQAGDITYLRA-UHFFFAOYSA-N 237.284 1.787 5 50 BDBA NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 4701024 VFGPKYSTQBOMQU-UHFFFAOYSA-N 235.243 1.294 5 50 BDBA OCC1=CC[N@@+]2(Cc3ccccc3)CC[C@H](O)[C@@H]12 247954849 MPDVSGSUYGUBLA-XHSDSOJGSA-N 246.330 1.069 5 50 BDBA biogenic CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)O 4256731 QKTQWLSLKHKTST-UHFFFAOYSA-N 224.172 1.251 5 50 BDBA CS(=O)(=O)Nc1ccc(F)cc1[N+](=O)[O-] 70237908 RJIPYPASXXKNHE-UHFFFAOYSA-N 234.208 1.105 5 50 BDBA O=C(O)CC(=O)OCc1ccc([N+](=O)[O-])cc1 2528036 RIGFMUNSTCPGNP-UHFFFAOYSA-N 239.183 1.113 5 50 BDBA in-vitro COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 116251749 WZBRUNXCRWCZBL-UHFFFAOYSA-N 221.212 1.799 5 50 BDBA CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1 1233455 YYGDFKGDBDHNSF-SECBINFHSA-N 238.243 1.096 5 50 BDBA O=[N+]([O-])c1ccc([C@@H](O)C(F)F)cc1 306145784 QDSJSRYMKHJGEH-SSDOTTSWSA-N 203.144 1.893 5 50 BDBA O=[N+]([O-])c1ccc(Cn2cncn2)cc1 2513725 NVRYCUYVBBCXHT-UHFFFAOYSA-N 204.189 1.235 5 50 BDBA in-vitro CCOc1ccc([N+](=O)[O-])cc1-c1cc(N)[nH]n1 4237673 XFOKXIJOLLEEKX-UHFFFAOYSA-N 248.242 1.966 5 50 BDBA CN[C@@H](C)CNc1ncc([N+](=O)[O-])cc1Cl 261574106 JBJBPASQASQHFU-LURJTMIESA-N 244.682 1.663 5 50 BDBA Cc1ccc(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1 2526128 QWOCFVIACPYANN-SSDOTTSWSA-N 225.200 1.755 5 50 BDBA in-vitro CC[C@@](C)([N+](=O)[O-])[C@@](C)(CC)[N+](=O)[O-] 2173706 GVEMMQMBSPOZFY-HTQZYQBOSA-N 204.226 1.877 5 50 BDBA O=[N+]([O-])c1ncn(Cc2cccc(Cl)c2)n1 2785617 CHWBRWAYQFXOQT-UHFFFAOYSA-N 238.634 1.888 5 50 BDBA Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-] 95870022 RSUBARQODWIKOQ-UHFFFAOYSA-N 242.147 1.302 5 50 BDBA O=[N+]([O-])c1ccc(N2CCC[C@@H](CO)C2)nc1 19757817 JUHTWNDQTIGHFJ-SECBINFHSA-N 237.259 1.199 5 50 BDBA O=[N+]([O-])c1ccc(CN2CCNCC2)cc1 239618 VDHHZWTYFFZYBM-UHFFFAOYSA-N 221.260 1.000 5 50 BDBA Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N 2755987 PDNJFIXANVYXLB-UHFFFAOYSA-N 232.243 1.980 5 50 BDBA CCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 22591825 WXOLQKZRUBTAHJ-UHFFFAOYSA-N 249.314 1.732 5 50 BDBA Cn1c(S)nnc1-c1cccc([N+](=O)[O-])c1 6557191 CLCZRCKREKMEIK-UHFFFAOYSA-N 236.256 1.679 5 50 BDBA O=[N+]([O-])c1cccnc1N[C@H]1CC[C@H](O)CC1 242498442 HENWAIVDBVYMHS-KYZUINATSA-N 237.259 1.705 5 50 BDBA CC(=O)N1CCCc2cccc([N+](=O)[O-])c21 95635048 RCVSCVLVIRONHE-UHFFFAOYSA-N 220.228 1.894 5 50 BDBA in-vitro O=[N+]([O-])c1cnn(Cc2ccccc2F)c1 2584203 MWUHGGSSXUCPHD-UHFFFAOYSA-N 221.191 1.979 5 50 BDBA CC(=O)Nc1ccc(OCC[N+](C)(C)C)cc1 60259185 IWZBMUZDGUVIRZ-UHFFFAOYSA-O 237.323 1.730 5 50 BDBA COc1ccc(N)c([N+](=O)[O-])c1[N+](=O)[O-] 4100375 KKIFNGUMEDQAHY-UHFFFAOYSA-N 213.149 1.094 5 50 BDBA COc1cc([N+](=O)[O-])ccc1S(C)(=O)=O 40544569 BFIQWRSPSDOJCV-UHFFFAOYSA-N 231.229 1.007 5 50 BDBA O=[N+]([O-])c1cccnc1N1CC(F)(F)C1 169725763 GVRMCFLAZXOHRX-UHFFFAOYSA-N 215.159 1.445 5 50 BDBA O=[N+]([O-])c1cccnc1Sc1ncccn1 166651 VKHXUEUJDJXTHS-UHFFFAOYSA-N 234.240 1.931 5 50 BDBA COc1ccc(-c2[nH]cnc2[N+](=O)[O-])cc1 13118309 YBNIKDPIGCYQIY-UHFFFAOYSA-N 219.200 1.994 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(O)c(-c2cc[nH]n2)c1 4522016 NPTPVROZEGBZIS-UHFFFAOYSA-N 205.173 1.691 5 50 BDBA CC(=O)Nc1ccc([N+](=O)[O-])cc1OC(C)=O 4656667 BRCXEYUOIPWVCU-UHFFFAOYSA-N 238.199 1.479 5 50 BDBA O=[N+]([O-])c1ccncc1I 21982003 SQXQSQPKFWCRFP-UHFFFAOYSA-N 249.995 1.594 5 50 BDBA CNS(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 119262717 PCQBBNCKBUQQEH-UHFFFAOYSA-N 244.272 1.120 5 50 BDBA O=[N+]([O-])C1(Br)CCSCC1 958528580 QZSNCVXJQMARLR-UHFFFAOYSA-N 226.095 1.881 5 50 BDBA O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1 156165 BIUCOFQROHIAEO-UHFFFAOYSA-N 206.157 1.774 5 50 BDBA in-vitro CN(C)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 4499256 WVNFNDMQVLUXPB-UHFFFAOYSA-N 211.177 1.569 5 50 BDBA in-vitro CC(=O)Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C 4797537 LXDMWBVGAKDYTA-UHFFFAOYSA-N 239.187 1.770 5 50 BDBA COC(=O)c1cc(N)c(C)c([N+](=O)[O-])c1 367537 NQJNEBQTJXTNJF-UHFFFAOYSA-N 210.189 1.272 5 50 BDBA in-vitro CC1(C)Oc2ccc([N+](=O)[O-])cc2NC1=O 39150081 YKXZRZGZJZYBBH-UHFFFAOYSA-N 222.200 1.704 5 50 BDBA in-vitro CCNC(=O)c1cc([N+](=O)[O-])ccc1F 37285947 MIKHREUGNSJTED-UHFFFAOYSA-N 212.180 1.484 5 50 BDBA COc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-] 35333699 BNPVOSZKWOIXHK-UHFFFAOYSA-N 231.591 1.955 5 50 BDBA in-vitro O=C(c1cccc([N+](=O)[O-])c1)N1CCCC1 103316 KAORXJOPNPLLFN-UHFFFAOYSA-N 220.228 1.831 5 50 BDBA COc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] 349782907 ORAVIEHOUVEGNJ-UHFFFAOYSA-N 235.199 1.962 5 50 BDBA CNc1cc(N2CCNCC2)ccc1[N+](=O)[O-] 4674650 VDNHQWNTYVPQQL-UHFFFAOYSA-N 236.275 1.046 5 50 BDBA COc1ccc([N+](=O)[O-])c(OC)c1OC 384436 CTMUNKNATYSNFO-UHFFFAOYSA-N 213.189 1.621 5 50 BDBA CC(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 611101 FSSMGQFWIWWKOG-UHFFFAOYSA-N 239.256 1.428 5 50 BDBA CN(C)CCOC(=O)c1ccc([N+](=O)[O-])cc1 4724953 RRBKMLUDXQSRPO-UHFFFAOYSA-N 238.243 1.313 5 50 BDBA CCOC(=O)Cc1cn2cc([N+](=O)[O-])ccc2n1 89201681 NORAQSGGRFQACW-UHFFFAOYSA-N 249.226 1.348 5 50 BDBA O=C(O)c1c(Cl)cccc1[N+](=O)[O-] 1587867 JYHOMEFOTKWQPN-UHFFFAOYSA-N 201.565 1.946 5 50 BDBA in-vitro O=[N+]([O-])c1ccn(Cc2ccccc2F)n1 341181 QEUHPOUUJCOAFQ-UHFFFAOYSA-N 221.191 1.979 5 50 BDBA COc1ccc(-c2n[nH]c([N+](=O)[O-])n2)cc1 4953981 FSASAERZMXDARJ-UHFFFAOYSA-N 220.188 1.389 5 50 BDBA O=[N+]([O-])c1cn(CC2CC(F)(F)C2)cn1 336276059 GEOQRLCWHKYYGI-UHFFFAOYSA-N 217.175 1.837 5 50 BDBA O=C(O)c1c[nH]c2ncc([N+](=O)[O-])cc12 44712792 RASQKOVSKRYFCS-UHFFFAOYSA-N 207.145 1.169 5 50 BDBA in-vitro O=[N+]([O-])c1ccc(O)nc1C(F)(F)F 38530216 UXJCQEGCBKLJAV-UHFFFAOYSA-N 208.095 1.714 5 50 BDBA in-vitro Cc1cc(NOCC(C)(C)O)ncc1[N+](=O)[O-] 225649335 MXTVBIOOYNPDML-UHFFFAOYSA-N 241.247 1.413 5 50 BDBA COC(=O)Cc1c(F)cc(F)cc1[N+](=O)[O-] 263625400 ZOSOKJSHZQYOFQ-UHFFFAOYSA-N 231.154 1.589 5 50 BDBA CCOCC(=O)Nc1cc([N+](=O)[O-])ccc1C 4700453 UMPZHICSSNFKIL-UHFFFAOYSA-N 238.243 1.878 5 50 BDBA CCS(=O)(=O)c1ccc([N+](=O)[O-])s1 1230795 AHODHSRGYPNMSB-UHFFFAOYSA-N 221.259 1.450 5 50 BDBA CN(C)C(=S)Nc1ccc([N+](=O)[O-])cc1 8683553 MNYXLPJFJPKZAQ-UHFFFAOYSA-N 225.273 1.853 5 50 BDBA CC(=O)c1cnc(Cl)c([N+](=O)[O-])c1 34361452 UZUVOPNXKQOJKI-UHFFFAOYSA-N 200.581 1.846 5 50 BDBA COC[C@@H](C)NCc1cccc([N+](=O)[O-])c1 4133277 BVFCWIVZJMNHLS-SECBINFHSA-N 224.260 1.719 5 50 BDBA in-vitro COc1cc(OC)c([N+](=O)[O-])c(OC)c1 132335 VWYAWLZEMLQGJH-UHFFFAOYSA-N 213.189 1.621 5 50 BDBA in-vitro Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 52712 IVPDFKYKTMICSK-UHFFFAOYSA-N 236.256 1.619 5 50 BDBA CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 4042628 JVGRDSBPPKBVBI-UHFFFAOYSA-N 224.172 1.282 5 50 BDBA COCCOc1cc(F)ccc1[N+](=O)[O-] 57879745 QSWFKHFKRPAQLI-UHFFFAOYSA-N 215.180 1.759 5 50 BDBA CN(C)CCOc1ccc([N+](=O)[O-])c(O)c1 1775970622 IJGODZICOKDXJJ-UHFFFAOYSA-N 226.232 1.241 5 50 BDBA COC(=O)c1cc(F)cc(F)c1[N+](=O)[O-] 47202352 RDNFXAWOOHTXBF-UHFFFAOYSA-N 217.127 1.660 5 50 BDBA in-vitro O=C1OCCO/C1=C/c1ccc([N+](=O)[O-])o1 12374933 OBLDCOJFPMNSKD-FNORWQNLSA-N 225.156 1.102 5 50 BDBA O=[N+]([O-])c1cnn2c1NCC[C@@H]2C(F)(F)F 1857783012 IVFSTLHTFXBEMY-RXMQYKEDSA-N 236.153 1.710 5 50 BDBA O=[N+]([O-])c1cccc(OP(=O)(O)O)c1 5785202 XBUUVLVJXNRBPN-UHFFFAOYSA-N 219.089 1.066 5 50 BDBA NOc1ccc([N+](=O)[O-])cc1C(F)(F)F 36426823 KIEHAOBEQSYFRF-UHFFFAOYSA-N 222.122 1.866 5 50 BDBA in-vitro O=C(O)Cc1c(F)cc([N+](=O)[O-])cc1F 166598610 MDMRXAYFALTPII-UHFFFAOYSA-N 217.127 1.500 5 50 BDBA in-vitro CCN(CC)CCCn1c([N+](=O)[O-])cnc1C 225449785 YYKBFTOAGATRDR-UHFFFAOYSA-N 240.307 1.832 5 50 BDBA COC(=O)c1cc([N+](=O)[O-])cc2cn[nH]c12 1295897 MZSTUEANQBHBNG-UHFFFAOYSA-N 221.172 1.258 5 50 BDBA in-vitro CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 41566 TZZWNVPIAQKNTG-UHFFFAOYSA-N 235.287 1.342 5 50 BDBA in-vitro C[C@H]1CC(=O)NN=C1c1ccc(N)c([N+](=O)[O-])c1 3878060 QABZKECKKQKKQZ-LURJTMIESA-N 248.242 1.037 5 50 BDBA CC(=O)n1cnc(-c2ccc(N)c([N+](=O)[O-])c2)c1 4587259 ZJAHZZOBXSIIIU-UHFFFAOYSA-N 246.226 1.701 5 50 BDBA O=C(O)Cc1c(F)cc(F)cc1[N+](=O)[O-] 263624861 UTXSTHWOIIXBBT-UHFFFAOYSA-N 217.127 1.500 5 50 BDBA CCNC(=O)Nc1cccc([N+](=O)[O-])c1 2164769 MYBAPDHPDMSFRP-UHFFFAOYSA-N 209.205 1.736 5 50 BDBA in-vitro COC(=O)c1cc(OC)cc([N+](=O)[O-])c1 446328 OSTVXCVLGHROLX-UHFFFAOYSA-N 211.173 1.390 5 50 BDBA in-vitro O=C1NC[C@H](COc2ccc([N+](=O)[O-])cc2)O1 507178 MYOPNYINKURZDA-SECBINFHSA-N 238.199 1.082 5 50 BDBA O=C(O)CNc1ccc(Cl)cc1[N+](=O)[O-] 4108392 JAIXZTSSBNLOQK-UHFFFAOYSA-N 230.607 1.745 5 50 BDBA COC(=O)Cc1cc(F)c([N+](=O)[O-])cc1F 263624333 PKFRZQFLMBOCDQ-UHFFFAOYSA-N 231.154 1.589 5 50 BDBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccncc1 3879110 UXLXRQOJPZPWEX-UHFFFAOYSA-N 244.210 1.637 5 50 BDBA O=C(O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3845787 NJGXPGVYYHJEBT-UHFFFAOYSA-N 240.171 1.520 5 50 BDBA biogenic O=C(O)CSCc1cccc([N+](=O)[O-])c1 434120 ARWBWQQQEPNYEI-UHFFFAOYSA-N 227.241 1.913 5 50 BDBA O=C(O)c1cccc([N+](=O)[O-])c1N1CCCC1 4342617 TZXHPSXCEZFUID-UHFFFAOYSA-N 236.227 1.893 5 50 BDBA COc1cc(C(=O)O)c(OC)c([N+](=O)[O-])c1 2566093 QCJROOYLFVYZEP-UHFFFAOYSA-N 227.172 1.310 5 50 BDBA in-vitro CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 12370212 IIRKKCDXJIXWHI-UHFFFAOYSA-N 221.260 1.347 5 50 BDBA in-vitro O=C(O)Cc1cc(F)c(F)cc1[N+](=O)[O-] 38536920 MKRFZKGJZRUCEG-UHFFFAOYSA-N 217.127 1.500 5 50 BDBA in-vitro COC1(C)CN(c2ncc(F)cc2[N+](=O)[O-])C1 585092515 BJNXRNODBZIIHS-UHFFFAOYSA-N 241.222 1.354 5 50 BDBA O=[N+]([O-])c1ccc(-n2cccc2CO)cc1 471095 JLVWUBQUQFWSCP-UHFFFAOYSA-N 218.212 1.878 5 50 BDBA COC(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C 2732118 MMGXQXXLOJZPHS-ZCFIWIBFSA-N 241.247 1.217 5 50 BDBA O=[N+]([O-])c1ccc(O)c(Br)n1 115005629 GRTNGVHJAZEBEH-UHFFFAOYSA-N 218.994 1.458 5 50 BDBA COc1c(F)cc([N+](=O)[O-])c(OC)c1F 39149927 RGBATJZGSLPNJM-UHFFFAOYSA-N 219.143 1.890 5 50 BDBA in-vitro O=[N+]([O-])c1c(S)nc2sccn12 1399959 GBZQDTKWZGXBHW-UHFFFAOYSA-N 201.232 1.593 5 50 BDBA O=C(O)C1CN(c2ccc([N+](=O)[O-])cc2)C1 70569442 RACDUYKKXZNEMY-UHFFFAOYSA-N 222.200 1.116 5 50 BDBA O=C1c2cc([N+](=O)[O-])ccc2CN1C1CC1 685958477 UVDYYIQYYRJJBT-UHFFFAOYSA-N 218.212 1.713 5 50 BDBA O=[N+]([O-])c1cc(F)ccc1SC[C@H](O)CO 86659888 WNOBNUQBJNAUAO-SSDOTTSWSA-N 247.247 1.179 5 50 BDBA CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 4782835 OSXYCGNYYDVLSQ-SSDOTTSWSA-N 208.217 1.792 5 50 BDBA O=C(O)c1[nH]nc(C(F)(F)F)c1[N+](=O)[O-] 44154481 PSUXBAOGDOGJBK-UHFFFAOYSA-N 225.082 1.035 5 50 BDBA Cn1cc([N+](=O)[O-])c(C(=O)NC2CCCC2)n1 996219 JSDWYYPTKJHVLK-UHFFFAOYSA-N 238.247 1.001 5 50 BDBA O=C(O)CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16697717 KYBGWGFVJJRIMR-UHFFFAOYSA-N 240.171 1.520 5 50 BDBA