smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)c1cc(F)c(Br)c([N+](=O)[O-])c1 43578234 VNBUOQRPHGBTIQ-UHFFFAOYSA-N 264.006 2.195 5 30 CEBC in-vitro O=C1CC2(CCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 4299618 RPRRXROWECGSFS-UHFFFAOYSA-N 274.276 2.419 5 30 CEBC COC(=O)c1cc([N+](=O)[O-])cc(C)c1Br 141244598 RSIFUNHBKKVOFE-UHFFFAOYSA-N 274.070 2.452 5 30 CEBC COc1c(O)c2nccc3c4ccccc4n(c1=O)c23 100074489 HJFNTSGIQCFHGP-UHFFFAOYSA-N 266.256 2.153 5 30 CEBC biogenic,in-vitro NC(=O)c1ccccc1Nc1ccccc1[N+](=O)[O-] 21995693 XRQUTVLZVKJYEZ-UHFFFAOYSA-N 257.249 2.437 5 30 CEBC O=C1Nc2ccccc2[C@H]1[C@@H](C[N+](=O)[O-])c1ccccn1 157110 QFWDCHBIRRQOLI-FZMZJTMJSA-N 283.287 2.178 5 30 CEBC Cc1nn(C)c(Sc2ccccn2)c1[N+](=O)[O-] 142781 MJLPYXPFMCSNML-UHFFFAOYSA-N 250.283 2.183 5 30 CEBC Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCSCC1 4300103 ARRIOKBUDKQUMB-UHFFFAOYSA-N 283.309 2.365 5 30 CEBC CC(=O)Nc1ccc(/C=C/c2ccc([N+](=O)[O-])o2)nn1 33940654 PAKVEKWPKCLOBD-DUXPYHPUSA-N 274.236 2.107 5 30 CEBC CCS(CC)=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4321871 GQKUEZOOTXOIMA-UHFFFAOYSA-N 290.366 2.125 5 30 CEBC COC(=O)c1cc([N+](=O)[O-])c(Br)cc1OC 95883943 PHFYKTLQSPDHOH-UHFFFAOYSA-N 290.069 2.153 5 30 CEBC COc1cc(O)c2c(=O)c3c(O)ccc(OC)c3oc2c1 6018122 GNSHHHWDGOHNPC-UHFFFAOYSA-N 288.255 2.375 5 30 CEBC biogenic,in-vitro O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C2SCCCN12 173924 UDQJTBXMJOPUMK-DHZHZOJOSA-N 289.316 2.271 5 30 CEBC C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 125218 GQUQPVPSQYXUQL-INIZCTEOSA-N 253.201 2.351 5 30 CEBC CC1(C)S[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1C(=O)O 134506 OGHPTFQLKPPMPJ-NXEZZACHSA-N 282.321 2.162 5 30 CEBC CC1(C)S[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1C(=O)O 134514 OGHPTFQLKPPMPJ-UWVGGRQHSA-N 282.321 2.162 5 30 CEBC C[N@@+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@@H]2C1 248022819 GAFCUVMEBFTFQJ-OXJNMPFZSA-N 281.359 2.492 5 30 CEBC world C[N@@+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@H]2C1 248022822 GAFCUVMEBFTFQJ-OXQOHEQNSA-N 281.359 2.492 5 30 CEBC world CCOP(=O)(OCC)c1ccc([N+](=O)[O-])cc1 1726100 AWAKGNAIMIGBNG-UHFFFAOYSA-N 259.198 2.486 5 30 CEBC O=C1O[C@@H](Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 19835262 ZBLNXGKVMVUWQJ-GFCCVEGCSA-N 271.232 2.271 5 30 CEBC O=C1N[C@@H]([C@H]2CC=CCC2)Nc2ccc([N+](=O)[O-])cc21 4299820 CZGPIEQAXQXKLG-ZANVPECISA-N 273.292 2.433 5 30 CEBC O=C1Nc2ccccc2[C@H]1[C@H](C[N+](=O)[O-])c1ccccn1 157121 QFWDCHBIRRQOLI-RISCZKNCSA-N 283.287 2.178 5 30 CEBC C[N@+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@H]2C1 248022825 GAFCUVMEBFTFQJ-UZLBHIALSA-N 281.359 2.492 5 30 CEBC world CC1(C)S[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1C(=O)O 134512 OGHPTFQLKPPMPJ-VHSXEESVSA-N 282.321 2.162 5 30 CEBC CCN1CN=C(SCc2ccc([N+](=O)[O-])cc2)NC1 144771 RZARXVMLIZLZNT-UHFFFAOYSA-N 280.353 2.024 5 30 CEBC Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 4299884 NYGUWSCZBSDNCA-UHFFFAOYSA-N 286.243 2.106 5 30 CEBC COc1cc(O)c2c(=O)c3ccccc3n(C)c2c1 6494597 OCUBFJMZYYIVBO-UHFFFAOYSA-N 255.273 2.406 5 30 CEBC endogenous,in-man CN(N[C@H]1OC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 4323122 RUIQUGZEAAMCAM-AWEZNQCLSA-N 299.286 2.405 5 30 CEBC C[C@H](CC(=O)O)Oc1ccc(Cl)cc1[N+](=O)[O-] 85116 HGBIZBBVSUKDBA-ZCFIWIBFSA-N 259.645 2.490 5 30 CEBC O=C(NC(=S)N1CCCCC1)c1csc([N+](=O)[O-])c1 143312 SSMDJYUNENNAJH-UHFFFAOYSA-N 299.377 2.157 5 30 CEBC CC(=O)c1ccc(I)cc1[N+](=O)[O-] 95929945 YUCFQZGPPONQAV-UHFFFAOYSA-N 291.044 2.402 5 30 CEBC O=CNc1nc(-c2cc([N+](=O)[O-])cs2)cs1 2001623 VCSNGJUGVQLUSX-UHFFFAOYSA-N 255.280 2.348 5 30 CEBC O=[N+]([O-])c1cccc(OCNCCCCCCO)c1 59606993 CAQAHPCFWVQNTI-UHFFFAOYSA-N 268.313 2.073 5 30 CEBC Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 33506166 YCYKUNZVKNJOPW-UHFFFAOYSA-N 257.249 2.429 5 30 CEBC COCCSc1ccc([N+](=O)[O-])cc1C(=O)O 35321789 FUWXCWSKMDRQSV-UHFFFAOYSA-N 257.267 2.032 5 30 CEBC in-vitro O=C1c2ccccc2-c2ccccc2C(=O)C1[N+](=O)[O-] 111903302 NKKHMOVEDDICJL-UHFFFAOYSA-N 267.240 2.378 5 30 CEBC O=c1c2cccnc2oc2c(Cl)cc(-c3nnn[nH]3)cc12 2203 MLCGWPUVZKTVLO-UHFFFAOYSA-N 299.677 2.175 5 30 CEBC in-man CCOc1ccc(OCC)c([N+](=O)[O-])c1N1CCOCC1 4347726 SCJFQEFTFQUXIQ-UHFFFAOYSA-N 296.323 2.229 5 30 CEBC Cc1c(Cl)cc(S(=O)(=O)O)c([N+](=O)[O-])c1Cl 6068990 ABQUUVRUHRHFHR-UHFFFAOYSA-N 286.092 2.457 5 30 CEBC O=[N+]([O-])c1cccc(-c2nnnn2-c2cccc(F)c2)c1 98790 CACZLKNGFOWIDQ-UHFFFAOYSA-N 285.238 2.377 5 30 CEBC O=[N+]([O-])c1ccccc1-n1nccc1-c1ncccn1 72190529 BWSNBLDOBUQGBZ-UHFFFAOYSA-N 267.248 2.238 5 30 CEBC O=[N+]([O-])c1ccc(Sc2nc(C(F)(F)F)n[nH]2)nc1 1040671 TVMKMQQASWRLIW-UHFFFAOYSA-N 291.214 2.278 5 30 CEBC O=c1oc(-c2ccc([N+](=O)[O-])o2)nc2ccccc12 90783 YOFYEAOIQRBXFY-UHFFFAOYSA-N 258.189 2.356 5 30 CEBC Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 98095495 UMWFBMPVKSDYDK-UHFFFAOYSA-N 257.118 2.226 5 30 CEBC O=C(O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12 5546033 RZCJSUVWYHPKQD-UHFFFAOYSA-N 284.227 2.288 5 30 CEBC O=[N+]([O-])c1c(F)cc(I)cc1F 95829844 DVGVIIQPATYUHN-UHFFFAOYSA-N 284.987 2.478 5 30 CEBC O=[N+]([O-])c1ccc(N[C@@H]2CCSC2)c([N+](=O)[O-])c1 4306717 JAZDLFUEUPHQHL-SSDOTTSWSA-N 269.282 2.420 5 30 CEBC CNc1ccc(I)cc1[N+](=O)[O-] 84193890 FZMBFXLLXQGQIL-UHFFFAOYSA-N 278.049 2.241 5 30 CEBC in-vitro Cc1nn(C)c(NCc2cccs2)c1[N+](=O)[O-] 4323854 RMUOOFPTYPMWCL-UHFFFAOYSA-N 252.299 2.310 5 30 CEBC CC(C)(C)OC(=O)N1CC(c2cc([N+](=O)[O-])ccn2)C1 91353096 MOJAVDMYNBAWEP-UHFFFAOYSA-N 279.296 2.324 5 30 CEBC COc1ccc(/C=C(\C)[N+](=O)[O-])c(OC)c1OC 37628243 OWNHUMYJCSEOTJ-BQYQJAHWSA-N 253.254 2.350 5 30 CEBC COC(=O)c1c(Br)cc([N+](=O)[O-])cc1OC 575712745 PMUJBLBXICAKSZ-UHFFFAOYSA-N 290.069 2.153 5 30 CEBC O=[N+]([O-])c1ccc(Br)cc1-n1cc(O)cn1 953124435 MEXKBRUGCOXQFR-UHFFFAOYSA-N 284.069 2.249 5 30 CEBC O=C(O)c1ccc(NCc2ccc([N+](=O)[O-])o2)cc1 37251283 KEJMTVUKDIOHTE-UHFFFAOYSA-N 262.221 2.498 5 30 CEBC CC[N+](C)(CC)CCOc1cccc2c1OCCO2 31622925 ISIIXDZYZYTAGU-UHFFFAOYSA-N 266.361 2.323 5 30 CEBC O=[N+]([O-])c1cc(S(=O)(=O)c2ccccc2)cs1 149020 VZFJKRQQLNZYBL-UHFFFAOYSA-N 269.303 2.489 5 30 CEBC O=[N+]([O-])c1ccc(Br)c2c1CCNC2 218249798 LRFALOLQDLRJJJ-UHFFFAOYSA-N 257.087 2.003 5 30 CEBC O=C(NCc1cccnc1)Nc1csc([N+](=O)[O-])c1 4362935 BQEQZOAPCXFHOZ-UHFFFAOYSA-N 278.293 2.373 5 30 CEBC CN(C)CCOc1ccc(Br)cc1[N+](=O)[O-] 42389921 FKMXIJZCKLFTKI-UHFFFAOYSA-N 289.129 2.298 5 30 CEBC CC[C@@H](C)NC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC 150866 AENUGBNAOBRRTO-MRVPVSSYSA-N 282.296 2.140 5 30 CEBC CC[C@H](C)[C@H](NSc1ncccc1[N+](=O)[O-])C(=O)O 199490212 IMPDNZNPAVVGFW-CBAPKCEASA-N 285.325 2.086 5 30 CEBC COC(=O)c1c(F)ccc([N+](=O)[O-])c1Br 221107930 GGAVFWPLPCMZBC-UHFFFAOYSA-N 278.033 2.283 5 30 CEBC Cc1cc(Cl)c(S(=O)(=O)O)c([N+](=O)[O-])c1Cl 6069757 UDOKNLFADJCCNE-UHFFFAOYSA-N 286.092 2.457 5 30 CEBC C[C@H]1CN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C[C@H](C)O1 4300027 PAFCMQFNAGGFJB-UWVGGRQHSA-N 297.330 2.414 5 30 CEBC O=C(O)c1cnc(-c2ccc([N+](=O)[O-])cc2)s1 36912303 MGZKEYFJHPBVRO-UHFFFAOYSA-N 250.235 2.417 5 30 CEBC COC(OC)c1ccnn1-c1ccccc1[N+](=O)[O-] 72190438 JVUPIYRDFMRQEL-UHFFFAOYSA-N 263.253 2.072 5 30 CEBC CNc1ncnc(Oc2ccc(OC)cc2)c1[N+](=O)[O-] 4362552 YYULHVYDGQMKFS-UHFFFAOYSA-N 276.252 2.227 5 30 CEBC C[C@@H](CC(=O)O)Oc1ccc(Cl)cc1[N+](=O)[O-] 85115 HGBIZBBVSUKDBA-LURJTMIESA-N 259.645 2.490 5 30 CEBC CCOC(=O)[C@@H]1Cc2cc3c(c([N+](=O)[O-])c2C1=O)CCC3 2265385699 FREJIXMUKKYYHT-LLVKDONJSA-N 289.287 2.002 5 30 CEBC CN(C)CCNC(=O)c1cccc2cc3ncccc3nc12 5957867 ZKPQFYCRZZXHFJ-UHFFFAOYSA-N 294.358 2.074 5 30 CEBC O=[N+]([O-])c1cccc(-c2noc(CN3CCCC3)n2)c1 139011 MJAQLXGMCDUWPW-UHFFFAOYSA-N 274.280 2.241 5 30 CEBC COCCOc1ncc([N+](=O)[O-])cc1C(F)(F)F 36050881 USAGTSWNIWCVME-UHFFFAOYSA-N 266.175 2.034 5 30 CEBC CC(=O)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3619331 AIGQWZZOCYGAHR-UHFFFAOYSA-N 256.239 2.184 5 30 CEBC O=[N+]([O-])c1cc(F)c(F)cc1I 71790454 NSXSBCUQHFDQSF-UHFFFAOYSA-N 284.987 2.478 5 30 CEBC in-vitro COCCCSc1ccc([N+](=O)[O-])cc1C(=O)O 88613638 ZARNQMQYSOTZNE-UHFFFAOYSA-N 271.294 2.422 5 30 CEBC in-vitro COc1ccc(Oc2c([N+](=O)[O-])c(C)nn2C)cc1 79552 HCMXPKVVGLKXOA-UHFFFAOYSA-N 263.253 2.438 5 30 CEBC CSC(=C[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 2265222001 KXMSZOQEHNSQFX-UHFFFAOYSA-N 293.392 2.243 5 30 CEBC O=[N+]([O-])c1c(F)ccc(I)c1F 306513361 AIBGPLUIUJFJKH-UHFFFAOYSA-N 284.987 2.478 5 30 CEBC CSc1n[nH]c(N)c1-c1ccc([N+](=O)[O-])cc1 35606123 AJNCITONSUFBFZ-UHFFFAOYSA-N 250.283 2.289 5 30 CEBC CCOC(=O)CC(=O)c1c(Cl)cccc1[N+](=O)[O-] 95348311 WCUXIOOYHJAULY-UHFFFAOYSA-N 271.656 2.384 5 30 CEBC COC(=O)Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 71624093 OCMWMTLMDIALCT-UHFFFAOYSA-N 263.171 2.329 5 30 CEBC O=C1N[C@@H]([C@@H]2CC=CCC2)Nc2ccc([N+](=O)[O-])cc21 4299822 CZGPIEQAXQXKLG-RNCFNFMXSA-N 273.292 2.433 5 30 CEBC Cc1noc(/C=C/c2nn(C)cc2Cl)c1[N+](=O)[O-] 4382879 YYWZGBCBOAQZIN-ONEGZZNKSA-N 268.660 2.449 5 30 CEBC Cc1nc(Cl)c([N+](=O)[O-])c(Cl)c1C(=O)O 59949166 NKDHMPWNRGPUSS-UHFFFAOYSA-N 251.025 2.303 5 30 CEBC O=C1CCOc2c1cc(Br)cc2[N+](=O)[O-] 78210645 PSFMGAPKAQACDX-UHFFFAOYSA-N 272.054 2.323 5 30 CEBC in-vitro CN(C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccn1 95093068 CPOCSJGZXVGERP-UHFFFAOYSA-N 253.258 2.361 5 30 CEBC O=C(NCc1cccs1)c1ccc([N+](=O)[O-])o1 66719 RBBWQDOANHSGRX-UHFFFAOYSA-N 252.251 2.179 5 30 CEBC c1ccc2c(c1)c1ccccc1c1nn3nnnc3nc21 134139 CUELWYWZUUFXJC-UHFFFAOYSA-N 272.271 2.374 5 30 CEBC O=[N+]([O-])c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CO)cc1 16698248 SSMAYPAWAVLZAT-HUUCEWRRSA-N 298.298 2.474 5 30 CEBC CCNc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] 26438762 UBZQKNLAOBUZMO-UHFFFAOYSA-N 270.598 2.489 5 30 CEBC CC1(C)S[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1C(=O)O 134508 OGHPTFQLKPPMPJ-ZJUUUORDSA-N 282.321 2.162 5 30 CEBC O=C1Nc2ccccc2[C@@H]1[C@@H](C[N+](=O)[O-])c1ccccn1 100226475 QFWDCHBIRRQOLI-SMDDNHRTSA-N 283.287 2.178 5 30 CEBC CCN(CC)CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C 1851494 MVDXUJGLVDWFHT-UHFFFAOYSA-N 279.340 2.492 5 30 CEBC COC(OC)c1ccnn1-c1ccc([N+](=O)[O-])cc1 72190439 QDCPSINDXOUAOV-UHFFFAOYSA-N 263.253 2.072 5 30 CEBC O=C1N[C@H]([C@H]2CC=CCC2)Nc2ccc([N+](=O)[O-])cc21 4299819 CZGPIEQAXQXKLG-TVQRCGJNSA-N 273.292 2.433 5 30 CEBC COc1cc([N+](=O)[O-])c(Br)nc1SC 67175976 ZBZDGZTVFVPMGS-UHFFFAOYSA-N 279.115 2.483 5 30 CEBC CCOC(=O)[C@H]1Cc2cc3c(c([N+](=O)[O-])c2C1=O)CCC3 2265385700 FREJIXMUKKYYHT-NSHDSACASA-N 289.287 2.002 5 30 CEBC CC(=O)Nc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 2001616 XCOQAFYSNOUYJX-UHFFFAOYSA-N 252.255 2.005 5 30 CEBC CC(=O)c1cc([N+](=O)[O-])cc(Br)c1O 34555158 NUPQONVDLVCQBU-UHFFFAOYSA-N 260.043 2.266 5 30 CEBC Cn1ccnc1SCC(=O)c1cccc([N+](=O)[O-])c1 3157603 CMMUEDZXGVUMDR-UHFFFAOYSA-N 277.305 2.303 5 30 CEBC Cc1cccc(OC[C@H](O)CNC(C)(C)C)c1[N+](=O)[O-] 1841494 NQYPBNSEXJIHEM-LLVKDONJSA-N 282.340 2.031 5 30 CEBC CC1(C)S[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H]1C(=O)O 4343035 XDUYZVGWRAFEKL-UWVGGRQHSA-N 282.321 2.162 5 30 CEBC CNC(=O)Oc1ccc2cc([N+](=O)[O-])ccc2c1[N+](=O)[O-] 1998784 JNUMKCKRNVODQZ-UHFFFAOYSA-N 291.219 2.374 5 30 CEBC C[C@@H]1CN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C[C@@H](C)O1 4300028 PAFCMQFNAGGFJB-NXEZZACHSA-N 297.330 2.414 5 30 CEBC CN(N[C@@H]1OC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 4323123 RUIQUGZEAAMCAM-CQSZACIVSA-N 299.286 2.405 5 30 CEBC C[C@H]1CN(c2cc(N(C)C)c([N+](=O)[O-])cc2F)C[C@@H](C)O1 13463897 PAFCMQFNAGGFJB-AOOOYVTPSA-N 297.330 2.414 5 30 CEBC Cc1cc2c3c(c1)c1oc(=O)cc(O)c1c(=O)n3CCC2 4336009 FZUUEWUSPRNMCL-UHFFFAOYSA-N 283.283 2.068 5 30 CEBC O=[N+]([O-])c1cc2nc(O)oc2cc1Br 35359215 NXJRACAEGLWOJX-UHFFFAOYSA-N 259.015 2.204 5 30 CEBC Cc1cc(Br)c([N+](=O)[O-])cc1C(=O)O 137849531 ZAKVEORHPUAYTP-UHFFFAOYSA-N 260.043 2.364 5 30 CEBC O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 18191243 YHTWSDYYUMEECD-UHFFFAOYSA-N 267.244 2.498 5 30 CEBC O=C(Nc1ccsc1C(=O)O)c1ccc([N+](=O)[O-])o1 2149142 KJCZVOAIBZGWPL-UHFFFAOYSA-N 282.233 2.200 5 30 CEBC CCOC(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)n1 164689 ITFJAYKEIXDTEK-UHFFFAOYSA-N 275.264 2.266 5 30 CEBC O=C(O)c1c(F)cc(Br)c([N+](=O)[O-])c1F 87196784 JTVBVJIHQVTGOP-UHFFFAOYSA-N 281.996 2.334 5 30 CEBC CN(C)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1 5965077 QXSIYYQGSPCIHN-UHFFFAOYSA-N 254.271 2.200 5 30 CEBC Cc1cccc(OC[C@@H](O)CNC(C)(C)C)c1[N+](=O)[O-] 1841495 NQYPBNSEXJIHEM-NSHDSACASA-N 282.340 2.031 5 30 CEBC Cc1cc([N+](=O)[O-])cc(C(=O)O)c1Br 90367264 WQSNSIDIZKPPSS-UHFFFAOYSA-N 260.043 2.364 5 30 CEBC O=C(OCc1ccccc1)N1CCC[C@H]([N+](=O)[O-])C1 230829395 ZIZFCUUNRZKZJE-LBPRGKRZSA-N 264.281 2.064 5 30 CEBC CC[C@H](C)NC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC 150869 AENUGBNAOBRRTO-QMMMGPOBSA-N 282.296 2.140 5 30 CEBC O=C1O[C@H](Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 19835264 ZBLNXGKVMVUWQJ-LBPRGKRZSA-N 271.232 2.271 5 30 CEBC CCN(CC)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C 65748123 BLYIETDHPXAQHR-UHFFFAOYSA-N 279.340 2.492 5 30 CEBC in-vitro C[N@+]1([O-])CCN2c3ncccc3Cc3ccccc3[C@@H]2C1 248022807 GAFCUVMEBFTFQJ-JXFKEZNVSA-N 281.359 2.492 5 30 CEBC world C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8637209 GQUQPVPSQYXUQL-MRXNPFEDSA-N 253.201 2.351 5 30 CEBC O=[N+]([O-])c1ccccc1N1CCN(C(F)(F)F)CC1 888084911 OIVAEGRZMKPGRO-UHFFFAOYSA-N 275.230 2.237 5 30 CEBC COC(=O)Cc1cccc(Br)c1[N+](=O)[O-] 216657975 PBKQXTVZNYOCFB-UHFFFAOYSA-N 274.070 2.073 5 30 CEBC in-vitro O=C(O)c1cc(Br)c([N+](=O)[O-])s1 96960076 MNPRLEUUNMJYRW-UHFFFAOYSA-N 252.045 2.117 5 30 CEBC CC(C)(C)n1cnnc1Sc1ncccc1[N+](=O)[O-] 140055 QJVYVASHNKSFQK-UHFFFAOYSA-N 279.325 2.488 5 30 CEBC O=C1Nc2ccccc2[C@@H]1[C@H](C[N+](=O)[O-])c1ccccn1 100226478 QFWDCHBIRRQOLI-BXUZGUMPSA-N 283.287 2.178 5 30 CEBC COC(=O)c1ccncc1-c1cccc([N+](=O)[O-])c1 2524928 RAHGDTWPIYJWDJ-UHFFFAOYSA-N 258.233 2.443 5 30 CEBC CCOC(OCC)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 90295234 FULOCKNLBZSRLZ-UHFFFAOYSA-N 292.295 2.247 5 30 CEBC in-vitro O=[N+]([O-])c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 4361991 JVZQGFFKDXLXGO-UHFFFAOYSA-N 269.282 2.056 5 30 CEBC O=[N+]([O-])c1ccc(N[C@H]2CCSC2)c([N+](=O)[O-])c1 4306719 JAZDLFUEUPHQHL-ZETCQYMHSA-N 269.282 2.420 5 30 CEBC NC(=O)/C(=C/c1ccc([N+](=O)[O-])s1)c1ccco1 95935266 RSDIFHHPJOVEDV-SOFGYWHQSA-N 264.262 2.275 5 30 CEBC CCc1c(Cl)cc(S(=O)(=O)O)cc1[N+](=O)[O-] 5956047 IFEQFEKBQAAGLQ-UHFFFAOYSA-N 265.674 2.057 5 30 CEBC CC(C)(C)n1cnnc1Sc1ccc([N+](=O)[O-])cn1 140056 YXZRSTJKFJXNQB-UHFFFAOYSA-N 279.325 2.488 5 30 CEBC COc1cc(OC)c(OC)cc1/C=C(\C)[N+](=O)[O-] 5220646 YJLWVSYNZFMHTK-VMPITWQZSA-N 253.254 2.350 5 30 CEBC CC1(C)S[C@H](c2cccc([N+](=O)[O-])c2)N[C@H]1C(=O)O 4343037 XDUYZVGWRAFEKL-VHSXEESVSA-N 282.321 2.162 5 30 CEBC CC(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1[N+](=O)[O-] 4300887 RFJLTKRBFACKKD-UHFFFAOYSA-N 253.214 2.078 5 30 CEBC COC(=O)c1cc(Br)c([N+](=O)[O-])s1 39474955 HGQUBXGVOBVNJN-UHFFFAOYSA-N 266.072 2.205 5 30 CEBC COc1c(O)ccc2c(=O)c3c(O)cc(O)cc3oc12 14764385 OIDDYVZHNYQRKQ-UHFFFAOYSA-N 274.228 2.072 5 30 CEBC endogenous,in-man O=C(OCc1ccccc1)N1CCC[C@@H]([N+](=O)[O-])C1 230829428 ZIZFCUUNRZKZJE-GFCCVEGCSA-N 264.281 2.064 5 30 CEBC COC(=O)c1cc(F)cc2[nH]cc(/C=C/[N+](=O)[O-])c12 1774020964 SZSGDSOTTJBMIM-NSCUHMNNSA-N 264.212 2.341 5 30 CEBC O=C(O)c1c(F)cc([N+](=O)[O-])cc1Br 221102991 RLLZDZKCCNTZDW-UHFFFAOYSA-N 264.006 2.195 5 30 CEBC CS(=O)(=O)Nc1ccc2oc3ccccc3c(=O)c2c1 4347474 NVQWZRWUAZJAPT-UHFFFAOYSA-N 289.312 2.318 5 30 CEBC Cc1nc([N+](=O)[O-])c(C)n1CCNCC(C)(C)C 584641211 RCTVTJSMPCPNNF-UHFFFAOYSA-N 254.334 2.044 5 30 CEBC O=C(O)c1ccnc(Oc2ccc([N+](=O)[O-])cc2)c1 37979859 RAKWEGXVPGEEDW-UHFFFAOYSA-N 260.205 2.480 5 30 CEBC in-vitro O=C1N[C@H]([C@@H]2CC=CCC2)Nc2ccc([N+](=O)[O-])cc21 4299821 CZGPIEQAXQXKLG-NOZJJQNGSA-N 273.292 2.433 5 30 CEBC CC(=O)OCc1cccc([N+](=O)[O-])c1Br 39317239 RHYFIMGPEOVKRO-UHFFFAOYSA-N 274.070 2.420 5 30 CEBC CNc1nnc(Sc2ncccc2[N+](=O)[O-])s1 1048917 FYLCJIAUDLHTNG-UHFFFAOYSA-N 269.311 2.034 5 30 CEBC O=c1onc(-c2ccccc2)n1-c1cccc([N+](=O)[O-])c1 78148 LQEDOGGDGFKHKW-UHFFFAOYSA-N 283.243 2.401 5 30 CEBC CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1 5291676 GYRMPDLIHUXUIG-UHFFFAOYSA-N 253.239 2.270 5 30 CEBC in-vitro Cc1cc2nc3c(=O)n(C)c(=S)nc-3n(C)c2cc1C 32271891 JHKJALFSUJCKQN-UHFFFAOYSA-N 286.360 2.118 5 30 CEBC COc1cc(N2CCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 4336116 GVKKWNLQUSVWFH-UHFFFAOYSA-N 267.241 2.112 5 30 CEBC O=[N+]([O-])c1cc(Br)[n+]([O-])c(-c2ccccn2)c1 35653896 DKAHQFJOSMKPIN-UHFFFAOYSA-N 296.080 2.053 5 30 CEBC CCn1c2cc(=O)ccc-2nc2cc(C)c(N)cc21 198461756 QOLSEPCGOIQQHE-UHFFFAOYSA-N 253.305 2.412 5 30 CEBC O=[N+]([O-])c1c(N2CCCC2)ccc2nsnc12 4361992 WJXFAUUDBCNRQR-UHFFFAOYSA-N 250.283 2.200 5 30 CEBC O=[N+]([O-])c1ccc(-c2nnnn2Cc2ccccc2)cc1 116104 PDEAKSNRDGNWEV-UHFFFAOYSA-N 281.275 2.297 5 30 CEBC CNc1ccc(Oc2ccnc(CO)c2)cc1[N+](=O)[O-] 89228932 FQRKHFUJNUYBPI-UHFFFAOYSA-N 275.264 2.316 5 30 CEBC CN(C)c1cc(N2CCCC2)c(F)cc1[N+](=O)[O-] 4300023 ZNQPZVRJJYZEHE-UHFFFAOYSA-N 253.277 2.400 5 30 CEBC CCOC(=O)C(O)=Cc1cc(Cl)ncc1[N+](=O)[O-] 2265385827 YNILAFYUNPAKHK-UHFFFAOYSA-N 272.644 2.105 5 30 CEBC COC(=O)CN(C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C 80218 LJARABYNDYBPQX-UHFFFAOYSA-N 294.307 2.009 5 30 CEBC COc1cc(I)cc([N+](=O)[O-])c1 39173390 FRVWVCANEDRCRK-UHFFFAOYSA-N 279.033 2.208 5 30 CEBC O=C(N1CCCc2cc([N+](=O)[O-])ccc21)C(F)(F)F 147326769 YHBXVGMZKHNCAT-UHFFFAOYSA-N 274.198 2.436 5 30 CEBC Cc1ccc(Oc2ncccc2[N+](=O)[O-])c([N+](=O)[O-])n1 3119985 SLSHHMOXJLIUJL-UHFFFAOYSA-N 276.208 2.394 5 30 CEBC O=C1CCc2c([N+](=O)[O-])ccc(Br)c21 238062787 GJJGSYXLPQZJSM-UHFFFAOYSA-N 256.055 2.486 5 30 CEBC O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)cc1O 91871 MPJBDZGASMKZSN-UHFFFAOYSA-N 279.273 2.133 5 30 CEBC in-vitro O=C(O)c1sc(Br)cc1[N+](=O)[O-] 22012924 HJCDDONOCCNMLW-UHFFFAOYSA-N 252.045 2.117 5 30 CEBC in-vitro CCOC(=O)C(C)(C)C(=O)c1ccc([N+](=O)[O-])cc1 148518737 YRAVCJPLIKQACT-UHFFFAOYSA-N 265.265 2.367 5 30 CEBC O=c1oc2ccc([N+](=O)[O-])cc2cc1-n1cccc1 167506 BQQKFPDEGBDANB-UHFFFAOYSA-N 256.217 2.492 5 30 CEBC Cc1cc2cc(O)cc(O)c2c2oc(=O)cc(O)c12 6070476 URYCWSZWYNTGEX-UHFFFAOYSA-N 258.229 2.371 5 30 CEBC COC(=O)c1c(F)cc([N+](=O)[O-])cc1Br 221105842 ZHPYPMKZJQFFQF-UHFFFAOYSA-N 278.033 2.283 5 30 CEBC CCc1nnc(/C(C)=C/c2ncc([N+](=O)[O-])n2C)s1 4217582 FAMHRHPGWNQVGW-FNORWQNLSA-N 279.325 2.303 5 30 CEBC in-man O=C(O)CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 150537 LQQYZJRCWBRIMW-UHFFFAOYSA-N 277.236 2.052 5 30 CEBC in-vivo Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c([N+](=O)[O-])n1 3119984 WSBYBZZPKNJACU-UHFFFAOYSA-N 276.208 2.394 5 30 CEBC O=[N+]([O-])c1ccc(N2CCCC2)nc1N1CCCC1 19924622 UHDIXMBUVAUCOU-UHFFFAOYSA-N 262.313 2.190 5 30 CEBC CNc1ccc([N+](=O)[O-])cc1CN(C)C(=O)C(F)(F)F 5141006 SRHCNVZNWRKMFN-UHFFFAOYSA-N 291.229 2.157 5 30 CEBC CNc1ncc(C(F)(F)C(F)F)cc1[N+](=O)[O-] 2265384958 LATLXHAGASNGJR-UHFFFAOYSA-N 253.155 2.388 5 30 CEBC O=C(O)c1c(F)ccc(OC(F)(F)F)c1[N+](=O)[O-] 575711348 RVCYKZGORJLGHM-UHFFFAOYSA-N 269.106 2.331 5 30 CEBC CC(=O)Nc1cccc2c(=O)n(C)c3ccccc3c(=O)c12 12519 KLSKLNWJEDXFSD-UHFFFAOYSA-N 294.310 2.010 5 30 CEBC in-man O=[N+]([O-])c1cc(-c2nc[nH]n2)ccc1Br 2265385414 VFXPFIYBVODKRB-UHFFFAOYSA-N 269.058 2.142 5 30 CEBC O=[N+]([O-])c1ccc(N2CCCC2)c(Cn2ccnc2)c1 4334372 DYCNPDHQBILIME-UHFFFAOYSA-N 272.308 2.440 5 30 CEBC CCOC(=O)CCCOc1ccccc1[N+](=O)[O-] 58917637 KCHSJDLFGWRPQN-UHFFFAOYSA-N 253.254 2.317 5 30 CEBC O=[N+]([O-])c1ccc(-n2nccc2-c2ncccn2)cc1 72190530 SVUWDVLHKNPINA-UHFFFAOYSA-N 267.248 2.238 5 30 CEBC CCS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 199883902 MAYWLDKQXVJBLK-UHFFFAOYSA-N 283.227 2.407 5 30 CEBC Cn1c([N+](=O)[O-])cnc1CSc1ccccn1 1962 IRVDBEMWNQAVEV-UHFFFAOYSA-N 250.283 2.016 5 30 CEBC in-man COC(=O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12 196299728 GDEJXTKPWSSTGT-UHFFFAOYSA-N 298.254 2.376 5 30 CEBC CCc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1Cl 5956170 YWMDVYNTTKZDBR-UHFFFAOYSA-N 265.674 2.057 5 30 CEBC CCOC(=O)C1CCN(c2sccc2[N+](=O)[O-])CC1 4364561 JZSLPTWXOQPUFB-UHFFFAOYSA-N 284.337 2.436 5 30 CEBC