smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](CNc1ccc([N+](=O)[O-])cc1)CN(C)C 32210066 DQHVXQUJVZUYKF-SNVBAGLBSA-N 237.303 2.204 5 30 BEBC C[C@@H](N)c1nc2cc([N+](=O)[O-])ccc2s1 45236523 GORRPVMUCWBUQY-RXMQYKEDSA-N 223.257 2.224 5 30 BEBC O=C(O)CCc1c(Cl)cccc1[N+](=O)[O-] 82582813 GMWQQPOJBMEQMH-UHFFFAOYSA-N 229.619 2.265 5 30 BEBC C=CC(=O)OC[C@@H](C)[N+](C)(C)Cc1ccccc1 38645763 WPYQDIJVNQLDTF-CYBMUJFWSA-N 248.346 2.381 5 30 BEBC COc1ccc2cccnc2c1[N+](=O)[O-] 22062334 SJPSBGPTZVFQPS-UHFFFAOYSA-N 204.185 2.152 5 30 BEBC in-vitro O=c1c2cccc(O)c2oc2cc(O)cc(O)c12 6567315 XESIWQIMUSNPRO-UHFFFAOYSA-N 244.202 2.063 5 30 BEBC biogenic,in-vitro Cn1ncc2cc(Cl)cc([N+](=O)[O-])c21 238547803 FROTZMQAGCEETR-UHFFFAOYSA-N 211.608 2.135 5 30 BEBC CC(=O)[C@@H](C)Cc1ccccc1[N+](=O)[O-] 37947251 FYBUTKJHAJQBGJ-QMMMGPOBSA-N 207.229 2.362 5 30 BEBC in-vitro CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 346061 LVADKDJSNQETBO-UHFFFAOYSA-N 208.217 2.170 5 30 BEBC O=C(O)c1c[nH]cc1-c1ccc([N+](=O)[O-])cc1 37245278 UWDHRUNKPWXPRW-UHFFFAOYSA-N 232.195 2.288 5 30 BEBC C[C@H](O)c1cc([N+](=O)[O-])ccc1Cl 95637113 UBPVEPRFYAHWHM-YFKPBYRVSA-N 201.609 2.302 5 30 BEBC C=Cc1c([N+](=O)[O-])ccc(N(C)C)c1[N+](=O)[O-] 604971792 OCCJXIMMAUGQLI-UHFFFAOYSA-N 237.215 2.212 5 30 BEBC CCCCOc1ccc(N)cc1[N+](=O)[O-] 2379299 XOQGCSUIKIRRRV-UHFFFAOYSA-N 210.233 2.356 5 30 BEBC Cc1cc([N+](=O)[O-])cc(C(=O)O)c1Cl 205691460 SWVPFIBATGNNMX-UHFFFAOYSA-N 215.592 2.255 5 30 BEBC CCOc1cnc(Cl)c([N+](=O)[O-])c1 299889480 JYJDGPPNBBTTJS-UHFFFAOYSA-N 202.597 2.042 5 30 BEBC CNc1c([N+](=O)[O-])cnc2ccc(F)cc12 16697949 YITJVMNVFKWVEL-UHFFFAOYSA-N 221.191 2.324 5 30 BEBC O=c1c2cc([N+](=O)[O-])ccc2oc2ncccc12 167512 PPMVISOQNOLGFY-UHFFFAOYSA-N 242.190 2.249 5 30 BEBC O=[N+]([O-])c1ccc(-c2csc(CO)n2)cc1 76806 FKDWIHQAMLSHBX-UHFFFAOYSA-N 236.252 2.211 5 30 BEBC Cc1ccc([N+](=O)[O-])c(O[C@H](C)CC(=O)O)c1 85120 PFIPNWXTGYADAY-MRVPVSSYSA-N 239.227 2.145 5 30 BEBC N[C@H](c1ccc(F)c([N+](=O)[O-])c1)C(F)(F)F 72190795 XKTGIPFLHUWXRH-SSDOTTSWSA-N 238.140 2.296 5 30 BEBC O=C1CCCC[C@@H](Cc2ccc([N+](=O)[O-])cc2)N1 44710228 RPMRYTUFZUKBQL-NSHDSACASA-N 248.282 2.196 5 30 BEBC Cc1cc(N)c(Br)c([N+](=O)[O-])c1 98181324 LJYXJJWGIPUPDC-UHFFFAOYSA-N 231.049 2.248 5 30 BEBC Cn1c2ccc(O)cc2c(=O)c2c(O)cccc21 13481037 WCDLZUUUNWEJTA-UHFFFAOYSA-N 241.246 2.103 5 30 BEBC biogenic C[C@]1([N+](=O)[O-])O[C@@H]1c1c(F)cccc1F 334163785 FRXSMOPXPMMEAQ-BDAKNGLRSA-N 215.155 2.029 5 30 BEBC O=C(O)c1c2c3cccc4cccc(c-2nc1=O)c43 39133501 QVYZVXCAGFXPEW-UHFFFAOYSA-N 249.225 2.427 5 30 BEBC Cc1ccc(-n2ccnc2)c([N+](=O)[O-])c1 34548823 DVJFCBMEBFBNKF-UHFFFAOYSA-N 203.201 2.089 5 30 BEBC O=C(O)c1cc(Cl)c([N+](=O)[O-])cc1F 306608402 VYCFZQAMQMUFFC-UHFFFAOYSA-N 219.555 2.086 5 30 BEBC Nc1c([N+](=O)[O-])cc(O)c2ccccc12 1565503741 ICRFBKGUSADNQS-UHFFFAOYSA-N 204.185 2.036 5 30 BEBC Cc1cc(C(C)(C)CO)ccc1[N+](=O)[O-] 1535866218 QQSGHQZNHYEURH-UHFFFAOYSA-N 209.245 2.173 5 30 BEBC CCOC(=O)Nc1c(C)cccc1[N+](=O)[O-] 5257010 SDXDJBPSZAJAOQ-UHFFFAOYSA-N 224.216 2.472 5 30 BEBC CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 39110208 UUUUSXUSFHOGFQ-NSHDSACASA-N 220.272 2.404 5 30 BEBC COCCOc1ccc(Cl)cc1[N+](=O)[O-] 57881518 FDKQZHZBUVSKDU-UHFFFAOYSA-N 231.635 2.273 5 30 BEBC O=[N+]([O-])c1ccccc1[C@H](O)c1ccccn1 98209751 JHJRZSMXOMQRFY-LBPRGKRZSA-N 230.223 2.072 5 30 BEBC in-vitro O=[N+]([O-])c1cccc([C@H]2CN3CCSC3=N2)c1 4213983 RFAYUIIWPKWNKY-SNVBAGLBSA-N 249.295 2.054 5 30 BEBC in-man CC(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 115695058 GDTISWOHFMFNFR-UHFFFAOYSA-N 208.217 2.016 5 30 BEBC O=c1o[nH]c2ccc3nc4ccccc4nc3c12 96328100 CWVIRLGMPQCDSQ-UHFFFAOYSA-N 237.218 2.218 5 30 BEBC O=[N+]([O-])c1cccc(-c2cn3cnsc3n2)c1 39325871 KSARWFSCMMZSTJ-UHFFFAOYSA-N 246.251 2.366 5 30 BEBC COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F 78739736 INUPLTYGEFAIEL-ZCFIWIBFSA-N 227.191 2.010 5 30 BEBC in-vitro O=[N+]([O-])c1nn(C(F)F)c2ccccc12 98209787 NZUPIISPQRTEQZ-UHFFFAOYSA-N 213.143 2.340 5 30 BEBC in-vitro CC(C)(C)OC(=O)N[C@H]1CC=C([N+](=O)[O-])CC1 1083811010 LPFICZLOTUJPDN-QMMMGPOBSA-N 242.275 2.224 5 30 BEBC Cc1nc(-c2ccc(F)cc2)n(C)c1[N+](=O)[O-] 5116107 RPGSCNXOVOIKNC-UHFFFAOYSA-N 235.218 2.443 5 30 BEBC COc1ccc2ccc([N+](=O)[O-])cc2n1 146811433 GBEBAFAPIXROKJ-UHFFFAOYSA-N 204.185 2.152 5 30 BEBC Cc1cc(N)cc(Br)c1[N+](=O)[O-] 14984867 QDTXPTDJBIUJNO-UHFFFAOYSA-N 231.049 2.248 5 30 BEBC in-vitro Cc1nccc(-c2cccc([N+](=O)[O-])c2)n1 96318 CXQWESMWAOTKKE-UHFFFAOYSA-N 215.212 2.360 5 30 BEBC C[C@H]1CCc2c(ccc(F)c2[N+](=O)[O-])N1 1857792956 KGJQZPZPVIBTGI-LURJTMIESA-N 210.208 2.481 5 30 BEBC CC(=O)c1cc(C)c(C)c([N+](=O)[O-])c1O 198558488 CNMHPLQSONTTSK-UHFFFAOYSA-N 209.201 2.120 5 30 BEBC Cc1coc2cc([N+](=O)[O-])ccc2c1=O 1041958 AAUIMCTVBWCANB-UHFFFAOYSA-N 205.169 2.010 5 30 BEBC CC(=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] 37947252 FYBUTKJHAJQBGJ-MRVPVSSYSA-N 207.229 2.362 5 30 BEBC in-vitro O=[N+]([O-])c1c(CO)ccc2nc(Cl)ccc12 44137972 HVOUXACDKMXSIS-UHFFFAOYSA-N 238.630 2.289 5 30 BEBC Cc1cc(-c2ccc([N+](=O)[O-])s2)nc(N)n1 95935478 IUYDSHULUSFREJ-UHFFFAOYSA-N 236.256 2.004 5 30 BEBC O=[N+]([O-])c1c(Br)cnc2[nH]ccc12 44712749 ZBDINEBGPIZJOX-UHFFFAOYSA-N 242.032 2.234 5 30 BEBC Cc1ccc([C@H](O)c2ccccn2)cc1[N+](=O)[O-] 238853162 ILXSRURNFJJCEA-ZDUSSCGKSA-N 244.250 2.380 5 30 BEBC O=[N+]([O-])c1cccc([C@@H]2CN3CCSC3=N2)c1 547 RFAYUIIWPKWNKY-JTQLQIEISA-N 249.295 2.054 5 30 BEBC in-man O=C1CCCC[C@H](Cc2ccc([N+](=O)[O-])cc2)N1 44710229 RPMRYTUFZUKBQL-LLVKDONJSA-N 248.282 2.196 5 30 BEBC Cc1cc([N+](=O)[O-])ccc1-n1ccnc1 34180610 XHNFMVZNYHOHIK-UHFFFAOYSA-N 203.201 2.089 5 30 BEBC Cc1cc(F)c(Br)c([N+](=O)[O-])c1N 232101157 JKQWGMJSCOMKPS-UHFFFAOYSA-N 249.039 2.387 5 30 BEBC CCc1nc2c(ccc3ncccc32)c(=O)[nH]1 38272200 MOAUZOXSWSJLKH-UHFFFAOYSA-N 225.251 2.034 5 30 BEBC C[C@]1([N+](=O)[O-])O[C@H]1c1c(F)cccc1F 334163787 FRXSMOPXPMMEAQ-IUCAKERBSA-N 215.155 2.029 5 30 BEBC N#Cc1ccc2nc3cc(N)ccc3nc2c1 32253299 SEDOGWHFGALGIE-UHFFFAOYSA-N 220.235 2.237 5 30 BEBC CC(C)c1ccc(O)c([N+](=O)[O-])c1[N+](=O)[O-] 96329030 SYENSKIFNFESFD-UHFFFAOYSA-N 226.188 2.332 5 30 BEBC O=c1cc(Cl)c2cc([N+](=O)[O-])ccc2[nH]1 95829567 BZWQSAMGSLTVJG-UHFFFAOYSA-N 224.603 2.090 5 30 BEBC Nc1ccc(Br)c([N+](=O)[O-])c1F 306609347 YAJRHRYCQRXLRH-UHFFFAOYSA-N 235.012 2.079 5 30 BEBC CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 106417 CFHLEDOETLTMLW-UHFFFAOYSA-N 237.240 2.367 5 30 BEBC CCOC(=O)c1ccc([N+](=O)[O-])cc1OCC 95915998 VMIPKNWALSUQDX-UHFFFAOYSA-N 239.227 2.170 5 30 BEBC CC[N+](CC)(CC)Cc1csc(N)n1 316772629 ICPSWEPQFHVJAX-UHFFFAOYSA-N 214.358 2.102 5 30 BEBC CC(=O)Oc1c(C)cc(Cl)cc1[N+](=O)[O-] 38171558 AJFVBBYSZQVCNK-UHFFFAOYSA-N 229.619 2.482 5 30 BEBC CCCn1c(C(=O)OCC)cc([N+](=O)[O-])c1C 386914 UKYSXPBCUNPDMI-UHFFFAOYSA-N 240.259 2.291 5 30 BEBC Nc1c(F)cc([N+](=O)[O-])c(F)c1Cl 1565503807 DMIKRGZUHIQOGE-UHFFFAOYSA-N 208.551 2.109 5 30 BEBC O=[N+]([O-])c1c(F)cc(OC(F)F)cc1F 139676271 YBKKJJGVZSZDDE-UHFFFAOYSA-N 225.097 2.474 5 30 BEBC O=[N+]([O-])c1csc2c(Cl)ncnc12 307425821 PUCRPGNCYRQHEC-UHFFFAOYSA-N 215.621 2.253 5 30 BEBC CC(=O)c1cc(C(C)=O)cc([N+](=O)[O-])c1 95764571 FCNQLDWFEQWBCR-UHFFFAOYSA-N 207.185 2.000 5 30 BEBC Cc1c(CO)cc(Br)cc1[N+](=O)[O-] 306971492 KCNJRNHMWBZCRB-UHFFFAOYSA-N 246.060 2.158 5 30 BEBC Cc1cc(-c2nc(CN)cs2)ccc1[N+](=O)[O-] 83380896 KXKBIKIKOSCAII-UHFFFAOYSA-N 249.295 2.485 5 30 BEBC Cc1ccc(C(=O)OC(C)C)cc1[N+](=O)[O-] 5781912 RRJBUFUVPLLLJD-UHFFFAOYSA-N 223.228 2.468 5 30 BEBC Cc1cccc(C)c1OCC[N+](C)(C)C 2031507 RXYWAURTGUPANZ-UHFFFAOYSA-N 208.325 2.388 5 30 BEBC CN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C 32190708 OWQGSQOMTFYNHF-UHFFFAOYSA-N 236.271 2.465 5 30 BEBC Cc1cc(-c2cccnc2)ncc1[N+](=O)[O-] 47214253 WMRKLFBOOLQJKN-UHFFFAOYSA-N 215.212 2.360 5 30 BEBC O=[N+]([O-])c1cccc(-c2ccc(CO)cn2)c1 39927648 HICKPOBFMSLKQA-UHFFFAOYSA-N 230.223 2.149 5 30 BEBC N[C@H](c1cccc([N+](=O)[O-])c1)C(F)(F)F 72194827 OILJTNSRBUKLKP-SSDOTTSWSA-N 220.150 2.157 5 30 BEBC Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 39246629 JAURTXUKZGZKAK-UHFFFAOYSA-N 211.608 2.135 5 30 BEBC C[C@@H](O)c1ccc(Cl)c([N+](=O)[O-])c1 34423551 DPECJWNICWLDNB-RXMQYKEDSA-N 201.609 2.302 5 30 BEBC O=C(O)c1cc(F)c([N+](=O)[O-])c(Cl)c1 306582564 CHVIWMROFWGWEL-UHFFFAOYSA-N 219.555 2.086 5 30 BEBC Cc1ncccc1Oc1ccc([N+](=O)[O-])cn1 38526328 HHJZXWHOKJJPCT-UHFFFAOYSA-N 231.211 2.486 5 30 BEBC CCSc1c([N+](=O)[O-])cncc1[N+](=O)[O-] 35569868 PMLSQDRPDKRVLS-UHFFFAOYSA-N 229.217 2.010 5 30 BEBC Cn1ncc2ccc(Cl)c([N+](=O)[O-])c21 238548210 MDZDNLCDVWXJBC-UHFFFAOYSA-N 211.608 2.135 5 30 BEBC Cc1cc(O)c(Br)cc1[N+](=O)[O-] 81947204 BCDDQHXDORNHMC-UHFFFAOYSA-N 232.033 2.371 5 30 BEBC in-vitro CCN(CC)c1cc(C(C)=O)c([N+](=O)[O-])cn1 33369569 HLYJIMMBSDEPKO-UHFFFAOYSA-N 237.259 2.039 5 30 BEBC COC(Cc1cc(C)c(C)cc1[N+](=O)[O-])OC 238854452 NTINPACVFBBNRY-UHFFFAOYSA-N 239.271 2.373 5 30 BEBC N[C@@H](c1cccc([N+](=O)[O-])c1)C(F)(F)F 72194824 OILJTNSRBUKLKP-ZETCQYMHSA-N 220.150 2.157 5 30 BEBC NC(=O)c1c2ccccc2nc2ccccc12 4362975 QBFNAVMTMIICEI-UHFFFAOYSA-N 222.247 2.487 5 30 BEBC O=C1OCCN1c1ccc(Cl)c([N+](=O)[O-])c1 71790360 OIVANVCNWCWJLD-UHFFFAOYSA-N 242.618 2.205 5 30 BEBC in-vitro C=CC(=O)OC[C@H](C)[N+](C)(C)Cc1ccccc1 38645760 WPYQDIJVNQLDTF-ZDUSSCGKSA-N 248.346 2.381 5 30 BEBC CCOC(=O)c1cc(C)c([N+](=O)[O-])c(C)c1 95916002 LXHYBLDIIOAWLA-UHFFFAOYSA-N 223.228 2.388 5 30 BEBC Cc1nsc(-c2ccc([N+](=O)[O-])cc2)n1 39110361 JFCLLGAHGPPTBU-UHFFFAOYSA-N 221.241 2.422 5 30 BEBC O=C(O)c1cccc2c1nnc1ccccc12 32221433 KWWWGZFKKXCYLS-UHFFFAOYSA-N 224.219 2.481 5 30 BEBC COc1cc([N+](=O)[O-])ccc1-n1cccc1 83587 GFTQQEQNHDHFCV-UHFFFAOYSA-N 218.212 2.394 5 30 BEBC CC(=O)n1ncc2cc([N+](=O)[O-])c(Cl)cc21 221480432 BOMUKIJWGSMHAO-UHFFFAOYSA-N 239.618 2.258 5 30 BEBC Cn1nc(Cl)c([N+](=O)[O-])c1C(F)(F)F 34062658 FLHJFSYGFJOUGD-UHFFFAOYSA-N 229.545 2.001 5 30 BEBC COc1cc(F)c([N+](=O)[O-])c(F)c1F 38762263 HFZXNTYAVZNVBH-UHFFFAOYSA-N 207.107 2.021 5 30 BEBC Cc1ccc(Cl)c([N+](=O)[O-])c1C(=O)O 306899567 KBODWEIFTCJCCM-UHFFFAOYSA-N 215.592 2.255 5 30 BEBC C=CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] 33607571 RNYPOUOIGJXNMU-MRVPVSSYSA-N 221.212 2.385 5 30 BEBC CCc1cnc(Br)cc1[N+](=O)[O-] 306406907 DTXXTSMOFSXVDM-UHFFFAOYSA-N 231.049 2.315 5 30 BEBC COc1ccc2cnccc2c1[N+](=O)[O-] 6713624 NDSGVVYXJOCEOX-UHFFFAOYSA-N 204.185 2.152 5 30 BEBC in-vitro COc1nc(N)c([N+](=O)[O-])cc1-c1ccccc1 98180694 KUIKZCDSDMGWER-UHFFFAOYSA-N 245.238 2.248 5 30 BEBC O=C(O)Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 95761826 AAEGSGFTVMVOGJ-UHFFFAOYSA-N 249.144 2.241 5 30 BEBC COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 95348257 RLQBHCMAEJCYHY-UHFFFAOYSA-N 241.218 2.185 5 30 BEBC in-vitro O=C(c1cccc([N+](=O)[O-])c1)C(F)F 238520281 UPTVURGJGGNSAF-UHFFFAOYSA-N 201.128 2.043 5 30 BEBC O=[N+]([O-])c1cccc(Cl)c1[N+](=O)[O-] 5784403 KYDXWCHDUCDNGR-UHFFFAOYSA-N 202.553 2.156 5 30 BEBC O=[N+]([O-])c1cccnc1NCCc1ccncc1 20421128 VDTKDRPPWBMKFD-UHFFFAOYSA-N 244.254 2.039 5 30 BEBC O=C(O)c1ccc([N+](=O)[O-])c(C2CC2)c1 4424178 RPTVRFKNWBDUKG-UHFFFAOYSA-N 207.185 2.170 5 30 BEBC C/C(=C\c1ccccc1[N+](=O)[O-])[N+](=O)[O-] 4709225 DBWBKROWASFCCD-VOTSOKGWSA-N 208.173 2.232 5 30 BEBC CC(=O)n1ccc(-c2cccc([N+](=O)[O-])c2)n1 125291 BFGQWXHOXWONRR-UHFFFAOYSA-N 231.211 2.118 5 30 BEBC CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F 20458688 CJDOYGOANMFTGB-UHFFFAOYSA-N 235.165 2.075 5 30 BEBC O=[N+]([O-])c1cccc(C2CCNCC2)c1 71623970 BVZAGHYGQGJUPG-UHFFFAOYSA-N 206.245 2.062 5 30 BEBC Cc1ncc(/C=C/c2cnc([N+](=O)[O-])o2)o1 223399710 PQZWFYZWNPLXBT-NSCUHMNNSA-N 221.172 2.050 5 30 BEBC C[C@@]1([N+](=O)[O-])O[C@H]1c1c(F)cccc1F 334163786 FRXSMOPXPMMEAQ-DTWKUNHWSA-N 215.155 2.029 5 30 BEBC COc1c([N+](=O)[O-])ccc2scnc12 45236375 NYDMHDUPENGRTO-UHFFFAOYSA-N 210.214 2.213 5 30 BEBC O=c1c2ccc(O)cc2[nH]c2cc(O)ccc12 82293721 PVRYFKGBOYVWMN-UHFFFAOYSA-N 227.219 2.093 5 30 BEBC O=[N+]([O-])c1ccc(SC2=NCCS2)nc1 1023899 XXGWDTKTHLADOK-UHFFFAOYSA-N 241.297 2.185 5 30 BEBC CC(C)(C)OC(=O)N[C@@H]1CC=C([N+](=O)[O-])CC1 1083811009 LPFICZLOTUJPDN-MRVPVSSYSA-N 242.275 2.224 5 30 BEBC Nc1cccc(OC(F)(F)F)c1[N+](=O)[O-] 145255597 DQMZPAMFJBBBON-UHFFFAOYSA-N 222.122 2.076 5 30 BEBC O=[N+]([O-])c1ccc(Nc2nccs2)nc1 34566441 LZEXOWOXBWDUOK-UHFFFAOYSA-N 222.229 2.190 5 30 BEBC O=C(O)c1cc(F)c(Cl)c([N+](=O)[O-])c1 306705466 OTJZEAGZIMBMFE-UHFFFAOYSA-N 219.555 2.086 5 30 BEBC O=[N+]([O-])c1ccc(-c2cn3ncsc3n2)cc1 4301825 KJVMKUGUQCRPKW-UHFFFAOYSA-N 246.251 2.366 5 30 BEBC CCCCNc1ncnc(Cl)c1[N+](=O)[O-] 4243326 SLMDKWYHHCRFSE-UHFFFAOYSA-N 230.655 2.250 5 30 BEBC Cc1nn(C(C)C)c(Cl)c1[N+](=O)[O-] 85019105 FJVYCVAGFODTJU-UHFFFAOYSA-N 203.629 2.334 5 30 BEBC N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 309253991 RPPLHJLOAZCLFS-SSDOTTSWSA-N 238.140 2.296 5 30 BEBC Cc1cc(C)c(C([N+](=O)[O-])[N+](=O)[O-])cc1C 100018903 REBYCCVYAZFTAV-UHFFFAOYSA-N 224.216 2.164 5 30 BEBC C[C@@]1([N+](=O)[O-])O[C@@H]1c1c(F)cccc1F 334163788 FRXSMOPXPMMEAQ-RKDXNWHRSA-N 215.155 2.029 5 30 BEBC CC[N+](CC)(CCO)Cc1ccccc1 5688391 MMKZWJXLFOYJGN-UHFFFAOYSA-N 208.325 2.036 5 30 BEBC O=[N+]([O-])CCc1ccc(F)cc1Br 30678568 IAQZYZBEYANPGO-UHFFFAOYSA-N 248.051 2.407 5 30 BEBC Cc1c([N+](=O)[O-])ccc2cc(C(=O)O)[nH]c12 536958606 JCZDDNBVRSANQY-UHFFFAOYSA-N 220.184 2.083 5 30 BEBC CCC(=O)c1cc(CC)cc([N+](=O)[O-])c1O 2573993 OERXDHSXDFTTGV-UHFFFAOYSA-N 223.228 2.456 5 30 BEBC Cc1ccc2nc3ccc(O)cc3nc2c1N 33606084 LPJYJEOWTXQTAJ-UHFFFAOYSA-N 225.251 2.379 5 30 BEBC CCN(C)C(=O)Oc1cccc([N+](=O)[O-])c1 206511030 DFECCKHSYUWCIJ-UHFFFAOYSA-N 224.216 2.045 5 30 BEBC CNc1ccc2cccnc2c1[N+](=O)[O-] 22064636 FSSNEPRUKZPCEP-UHFFFAOYSA-N 203.201 2.185 5 30 BEBC in-vitro NC1(c2ccc(Cl)c([N+](=O)[O-])c2)CC1 95938190 GKDYGZDTYBFEGW-UHFFFAOYSA-N 212.636 2.196 5 30 BEBC C[C@H](O)c1ccc(Cl)c([N+](=O)[O-])c1 34423549 DPECJWNICWLDNB-YFKPBYRVSA-N 201.609 2.302 5 30 BEBC COc1cc(Cl)nc(Cl)c1[N+](=O)[O-] 118406986 RKPPEQBIWSTDRK-UHFFFAOYSA-N 223.015 2.305 5 30 BEBC CN(C)c1cccc(Br)c1[N+](=O)[O-] 299890198 VSDDRSYPXAIHOM-UHFFFAOYSA-N 245.076 2.423 5 30 BEBC CCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] 34497524 DOPXTTBUVJTHCI-UHFFFAOYSA-N 237.255 2.436 5 30 BEBC C/C(Nc1ccc([N+](=O)[O-])cc1)=C1/CCOC1=O 4334923 XVMAPDRVXCHPMM-DHZHZOJOSA-N 248.238 2.228 5 30 BEBC CC/C=C(\CCCCCCO)[N+](=O)[O-] 96347719 UWNFUXZRPSLANA-JXMROGBWSA-N 201.266 2.500 5 30 BEBC O=[N+]([O-])c1cc(-c2ncccn2)cs1 480685 WIRRIKQUUWLQST-UHFFFAOYSA-N 207.214 2.113 5 30 BEBC C[C@@H](CNc1ccc([N+](=O)[O-])cc1)CN(C)C 32210062 DQHVXQUJVZUYKF-JTQLQIEISA-N 237.303 2.204 5 30 BEBC N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 309253992 RPPLHJLOAZCLFS-ZETCQYMHSA-N 238.140 2.296 5 30 BEBC Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)n1C 33637288 ZNARHGSNENBSAJ-UHFFFAOYSA-N 246.270 2.249 5 30 BEBC Cc1ccc(O[C@H](C)CC(=O)O)c([N+](=O)[O-])c1 85113 DVKQGMJDHNBJLA-MRVPVSSYSA-N 239.227 2.145 5 30 BEBC CCc1cc([N+](=O)[O-])c(C(C)=O)cc1OC 71624971 LJVXEHAXEWSOKY-UHFFFAOYSA-N 223.228 2.368 5 30 BEBC COC(=O)/C=C/c1ccc(Cl)cc1[N+](=O)[O-] 96327895 KBPOGSQDGOJYTG-HWKANZROSA-N 241.630 2.434 5 30 BEBC C[C@@H](O)c1cc([N+](=O)[O-])ccc1Cl 95637082 UBPVEPRFYAHWHM-RXMQYKEDSA-N 201.609 2.302 5 30 BEBC NCc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 95830163 IPCQEKVWBNRDHD-UHFFFAOYSA-N 220.150 2.072 5 30 BEBC C=CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] 33607573 RNYPOUOIGJXNMU-QMMMGPOBSA-N 221.212 2.385 5 30 BEBC COC(=O)c1cccn1-c1ccccc1[N+](=O)[O-] 110584 BNXLPDWXYLLMFI-UHFFFAOYSA-N 246.222 2.172 5 30 BEBC CC(C)(C)Cc1cc(N)c(O)c([N+](=O)[O-])c1 38171522 NVKBPXZFYMDQOR-UHFFFAOYSA-N 224.260 2.471 5 30 BEBC O=[N+]([O-])/C=C/c1ccc2c(c1)OC(F)(F)O2 117682046 QDPFQTZFVOZJEL-ONEGZZNKSA-N 229.138 2.256 5 30 BEBC Cn1c([N+](=O)[O-])nc2c3cccnc3ccc21 22063448 JQICQDTZNZTBEZ-UHFFFAOYSA-N 228.211 2.030 5 30 BEBC in-vitro COC(=O)c1cc([N+](=O)[O-])ccc1-n1cccc1 150207 GOKICCKTBJMWTD-UHFFFAOYSA-N 246.222 2.172 5 30 BEBC CC(C)(C)Nc1nc(Cl)ncc1[N+](=O)[O-] 232494063 NOQRSGDPLIMGJV-UHFFFAOYSA-N 230.655 2.249 5 30 BEBC Cc1cc([N+](=O)[O-])cc(CO)c1Br 307553807 FVHWISCFMMPWAH-UHFFFAOYSA-N 246.060 2.158 5 30 BEBC CCOC(=O)Cc1cc(Cl)ccc1[N+](=O)[O-] 38294297 CAVIDEZCVXRIRS-UHFFFAOYSA-N 243.646 2.354 5 30 BEBC Cc1cc([N+](=O)[O-])c2cccnc2c1O 198004607 KHPQZLFUNAHNSR-UHFFFAOYSA-N 204.185 2.157 5 30 BEBC O=[N+]([O-])c1ccc([C@H]2CN3CCSC3=N2)cc1 65748122 LPIVDKLFFJWWBT-SNVBAGLBSA-N 249.295 2.054 5 30 BEBC in-vitro N[C@@H](c1ccc(F)c([N+](=O)[O-])c1)C(F)(F)F 72195151 XKTGIPFLHUWXRH-ZETCQYMHSA-N 238.140 2.296 5 30 BEBC O=c1[nH]c2cccc3c(=O)c4cccc1c4c23 21984601 DCGBUHBFDIJJLN-UHFFFAOYSA-N 221.215 2.070 5 30 BEBC O=C(O)c1c(F)ccc(Cl)c1[N+](=O)[O-] 247289611 AOLVEUVFRPEETA-UHFFFAOYSA-N 219.555 2.086 5 30 BEBC O=[N+]([O-])c1cc2ccccc2cc1CO 2379159 YLIFSPRRWWMMPC-UHFFFAOYSA-N 203.197 2.240 5 30 BEBC in-vitro O=[N+]([O-])c1ccccc1C1CCNCC1 71623968 BBZXWVATPPDPTD-UHFFFAOYSA-N 206.245 2.062 5 30 BEBC O=[N+]([O-])c1ccc(-c2noc(Cl)n2)cc1 37926763 SKMDYDZRWCQKHI-UHFFFAOYSA-N 225.591 2.298 5 30 BEBC in-vitro Cc1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 80008367 XBOLYRIEQCSFJU-UHFFFAOYSA-N 221.191 2.228 5 30 BEBC CC1(C)C[C@H](Cc2ccc([N+](=O)[O-])cc2)NC1=O 1504000253 PWXVRXPYUDGHNH-JTQLQIEISA-N 248.282 2.052 5 30 BEBC O=C(O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 98209965 QSYPRQBMNKAZSN-UHFFFAOYSA-N 233.582 2.014 5 30 BEBC CCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 143487 ZDSSJVWNLXJLQX-UHFFFAOYSA-N 219.200 2.207 5 30 BEBC Cc1ccc([C@@H](O)c2ccccn2)cc1[N+](=O)[O-] 238853160 ILXSRURNFJJCEA-CYBMUJFWSA-N 244.250 2.380 5 30 BEBC CCC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 4291245 PSNUJWYZXLDDHS-UHFFFAOYSA-N 239.227 2.205 5 30 BEBC O=[N+]([O-])c1ccccc1[C@@H](O)c1ccccn1 98209752 JHJRZSMXOMQRFY-GFCCVEGCSA-N 230.223 2.072 5 30 BEBC in-vitro Cc1ccc([N+](=O)[O-])c(O[C@@H](C)CC(=O)O)c1 85119 PFIPNWXTGYADAY-QMMMGPOBSA-N 239.227 2.145 5 30 BEBC C[N@+]([O-])(c1ccccc1)[C@H]1CCCC[C@@H]1O 2265351909 MZEQCFNRXXGCSR-IHRRRGAJSA-N 221.300 2.425 5 30 BEBC Cc1ccc(N)c([N+](=O)[O-])c1Br 216635054 BVSGAMRDRXMGAB-UHFFFAOYSA-N 231.049 2.248 5 30 BEBC in-vitro CC(C)(C(=O)O)c1ccc([N+](=O)[O-])cc1F 75934425 GNMPUKLJDOKFLJ-UHFFFAOYSA-N 227.191 2.096 5 30 BEBC in-vitro CCN(CC[N+](C)(C)C)c1ccccc1 2003936 GEXXZCQMJNFDHP-UHFFFAOYSA-N 207.341 2.219 5 30 BEBC O=[N+]([O-])c1cc(Cl)c(Br)cn1 238580519 JKHRSHCUUQYVBK-UHFFFAOYSA-N 237.440 2.406 5 30 BEBC O=C1OCCN1c1cc([N+](=O)[O-])ccc1Cl 71790359 RKGIRUZYDVEWJR-UHFFFAOYSA-N 242.618 2.205 5 30 BEBC in-vitro COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F 78739729 INUPLTYGEFAIEL-LURJTMIESA-N 227.191 2.010 5 30 BEBC in-vitro O=C(O)CCCn1ccc2cc([N+](=O)[O-])ccc21 36925253 XOJVNKCTFYYYNI-UHFFFAOYSA-N 248.238 2.414 5 30 BEBC Cc1ccc(C)n1N(C)c1ccc([N+](=O)[O-])cn1 4306605 CQOZERHTJFJURW-UHFFFAOYSA-N 246.270 2.308 5 30 BEBC CC(=O)c1c(F)ccc([N+](=O)[O-])c1F 34170324 CGCFAZUWFVSIJD-UHFFFAOYSA-N 201.128 2.076 5 30 BEBC C[Si](C)(C)c1c(F)ccc([N+](=O)[O-])c1F 195908361 XMEDCOZETUWHIB-UHFFFAOYSA-N 231.274 2.418 5 30 BEBC Nc1ccc2[nH]c(=O)c3ccccc3c2c1 17425942 YMTIEBMDXHJRKO-UHFFFAOYSA-N 210.236 2.264 5 30 BEBC Cc1cc([N+](=O)[O-])cnc1C(F)(F)F 116803497 BLWZGNJEUPDTEV-UHFFFAOYSA-N 206.123 2.317 5 30 BEBC C[N@@+]([O-])(c1ccccc1)[C@H]1CCCC[C@@H]1O 2265351910 MZEQCFNRXXGCSR-MELADBBJSA-N 221.300 2.425 5 30 BEBC Cn1cc2cc([N+](=O)[O-])cc(Cl)c2n1 39246630 MNMHDAYUOXAQMK-UHFFFAOYSA-N 211.608 2.135 5 30 BEBC CCC(=O)c1cc(C)cc([N+](=O)[O-])c1O 2573991 CBYZMXQAOPOQBI-UHFFFAOYSA-N 209.201 2.202 5 30 BEBC CC(C)(O)c1ccc([N+](=O)[O-])cc1Cl 306921363 QEAPPVBVXGJIMU-UHFFFAOYSA-N 215.636 2.476 5 30 BEBC Cn1c([N+](=O)[O-])cnc1-c1ccc(F)cc1 5116592 AMRJVBTUDQHYID-UHFFFAOYSA-N 221.191 2.134 5 30 BEBC CC(=O)CSc1ccc([N+](=O)[O-])cc1 5431148 NMRWIARNFRTDFG-UHFFFAOYSA-N 211.242 2.276 5 30 BEBC Cc1c(Br)cc(CN)cc1[N+](=O)[O-] 306700066 YDKWRRDXXGORDB-UHFFFAOYSA-N 245.076 2.124 5 30 BEBC Cc1ccc(O[C@@H](C)CC(=O)O)c([N+](=O)[O-])c1 85112 DVKQGMJDHNBJLA-QMMMGPOBSA-N 239.227 2.145 5 30 BEBC Cc1cc(C)nc(-c2ccc([N+](=O)[O-])o2)n1 6070200 RYBISXUKVTYYNN-UHFFFAOYSA-N 219.200 2.262 5 30 BEBC O=[N+]([O-])c1cc[n+]([O-])c2cc(Cl)ccc12 5845300 NFGJNEYAHLMONP-UHFFFAOYSA-N 224.603 2.035 5 30 BEBC CCC(=O)c1cc(F)cc([N+](=O)[O-])c1O 90412524 HDJYGWRCVVXLEV-UHFFFAOYSA-N 213.164 2.032 5 30 BEBC CCC1=NCCc2ccc([N+](=O)[O-])cc21 39100932 ADOXHCHPMZCZQT-UHFFFAOYSA-N 204.229 2.350 5 30 BEBC O=[N+]([O-])c1c(Cl)cc(Cl)cc1CO 204792145 RXUULDPWXJWUKM-UHFFFAOYSA-N 222.027 2.394 5 30 BEBC in-vitro CC1(C)[C@@H](O)C[C@H]1c1ccc([N+](=O)[O-])cc1 88179004 ODRIPCLHMNNNND-QWRGUYRKSA-N 221.256 2.469 5 30 BEBC O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cn1 84554416 DAYPHWSUHWTOLC-UHFFFAOYSA-N 244.206 2.355 5 30 BEBC Cc1cc(C(=O)O)cc([N+](=O)[O-])c1Cl 132173670 JFWTVQOCEMERAY-UHFFFAOYSA-N 215.592 2.255 5 30 BEBC CC(C)(O)CCSc1ccc([N+](=O)[O-])cn1 93531 KDNIUADEGOKZBM-UHFFFAOYSA-N 242.300 2.243 5 30 BEBC COc1c(F)cc(F)c(F)c1[N+](=O)[O-] 307026910 LCUUUMROSPVHQG-UHFFFAOYSA-N 207.107 2.021 5 30 BEBC O=Cc1cc(OC(F)F)ccc1[N+](=O)[O-] 218712579 XVBUIHREGSKCRM-UHFFFAOYSA-N 217.127 2.009 5 30 BEBC COCc1ccc(Cl)c([N+](=O)[O-])c1 37403946 ASLRGPXPEXGGBQ-UHFFFAOYSA-N 201.609 2.395 5 30 BEBC O=c1c(=O)c2ccccc2[nH]c2ccccc12 77291353 JDPDFSIEJKKSEC-UHFFFAOYSA-N 223.231 2.042 5 30 BEBC in-vitro COC(=O)C(C)(C)c1cccc([N+](=O)[O-])c1C 2265358135 JELFRIUNSHHBEO-UHFFFAOYSA-N 237.255 2.354 5 30 BEBC COCCNc1c(Cl)cccc1[N+](=O)[O-] 50351808 GCQRISYYSKNYIX-UHFFFAOYSA-N 230.651 2.307 5 30 BEBC in-vitro Cc1cc(=O)c2cc([N+](=O)[O-])ccc2o1 139114533 ZPVKGJPJOJPONG-UHFFFAOYSA-N 205.169 2.010 5 30 BEBC CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 39110209 UUUUSXUSFHOGFQ-LLVKDONJSA-N 220.272 2.404 5 30 BEBC O=[N+]([O-])c1cnc2ncc(Cl)cc2c1 231426587 LVGPOKMODIDWSQ-UHFFFAOYSA-N 209.592 2.191 5 30 BEBC O=Cc1c(Br)cc(F)cc1[N+](=O)[O-] 307485956 AOOUVFUUXFPADH-UHFFFAOYSA-N 248.007 2.309 5 30 BEBC Cc1cc([N+](=O)[O-])c(Br)cc1N 95845575 SGADFWYBCVHBGJ-UHFFFAOYSA-N 231.049 2.248 5 30 BEBC