smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(c1ccccc1)c1ccc(-n2cccc2)c([N+](=O)[O-])c1 140753 YEOAOLVBBAWBNS-UHFFFAOYSA-N 292.294 3.617 5 30 CHBC COc1cc(OC)c2c(ccc3cc(OC)c(O)cc32)c1 899115 KGYHMWVRKYFQQR-UHFFFAOYSA-N 284.311 3.724 5 30 CHBC endogenous,in-man O=[N+]([O-])c1cc(Br)c(C(F)(F)F)cc1F 396095760 KVCRYFRKEWXZJC-UHFFFAOYSA-N 287.994 3.515 5 30 CHBC O=C(c1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 83712 YKIIZHQWXGSFSB-UHFFFAOYSA-N 285.230 3.711 5 30 CHBC O=[N+]([O-])c1cc(-c2ccccc2)cc2cccnc12 6116697 BCLHTQDIOYYNKP-UHFFFAOYSA-N 250.257 3.810 5 30 CHBC CC(=O)c1cc([N+](=O)[O-])c(Nc2ccccc2)s1 4347614 PTVIJJUHPUHQLQ-UHFFFAOYSA-N 262.290 3.603 5 30 CHBC COc1ccc2[nH]cc(C=Cc3onc(C)c3[N+](=O)[O-])c2c1 2265269908 GVPLMNVWYSXJTL-UHFFFAOYSA-N 299.286 3.552 5 30 CHBC O=C(Nc1ccc(Cl)cc1)Nc1csc([N+](=O)[O-])c1 4323514 YPKBXXGFNVFZKJ-UHFFFAOYSA-N 297.723 3.954 5 30 CHBC Cc1nn(C)c(Oc2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] 79547 WSZYJXDABPWXCT-UHFFFAOYSA-N 289.335 3.727 5 30 CHBC O=[N+]([O-])c1cccc2nc3ccccc3c(Cl)c12 6117601 JOUFIQVFVDNYRT-UHFFFAOYSA-N 258.664 3.950 5 30 CHBC Nc1cc(-c2ccc(Cl)cc2)sc1[N+](=O)[O-] 44138686 GXVRJPZEMKKJJV-UHFFFAOYSA-N 254.698 3.559 5 30 CHBC COc1cc(C=Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 2265263997 ZOKYIFYCPTXDCW-UHFFFAOYSA-N 285.299 3.782 5 30 CHBC O=[N+]([O-])/C=C/c1ccc(C(F)(F)F)cc1Cl 107524 MXCRZMFCFGXXFG-ONEGZZNKSA-N 251.591 3.606 5 30 CHBC O=[N+]([O-])c1ccc(-n2nccc2-c2ccsc2)cc1 72190489 VCXHRQIZKSIXLU-UHFFFAOYSA-N 271.301 3.509 5 30 CHBC O=c1c2ccc(Cl)cc2[nH]c2cc(Cl)ccc12 62723532 ONUXESBOIMZMBI-UHFFFAOYSA-N 264.111 3.988 5 30 CHBC CC[P@](=O)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C 5688463 SKCQHKZCRLKONK-GOSISDBHSA-N 273.225 3.612 5 30 CHBC N#CCc1c([N+](=O)[O-])ccc2c1ccn2Cc1ccccc1 114729 NXNXQRLLOROGPU-UHFFFAOYSA-N 291.310 3.664 5 30 CHBC O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1N1CCCC1 4336276 IJBZSGMYRRFPAV-UHFFFAOYSA-N 291.738 3.639 5 30 CHBC O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1Nc1ccccc1 4365198 KJRXTDZKSMARIF-UHFFFAOYSA-N 293.666 3.900 5 30 CHBC COc1c(Cl)c(Cl)c(OC)c([N+](=O)[O-])c1Cl 14769876 SPMBUQVPNIMMQI-UHFFFAOYSA-N 286.498 3.572 5 30 CHBC COc1ccc(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 83714 UQDLVLWKYNAGIF-UHFFFAOYSA-N 297.266 3.581 5 30 CHBC O=[N+]([O-])c1ccc2c(Cl)ncc(Br)c2c1 96856509 XITPXUHGYLYZLX-UHFFFAOYSA-N 287.500 3.559 5 30 CHBC in-vitro CSc1cc(Br)cc([N+](=O)[O-])c1Cl 575677815 LHSAUJVRVGCELX-UHFFFAOYSA-N 282.546 3.733 5 30 CHBC O=c1c2ccccc2nc2sc3ccc(Cl)cc3n12 91459 IVXJHPMQGBFXJX-UHFFFAOYSA-N 286.743 3.716 5 30 CHBC O=[N+]([O-])c1ccc2c(c1)Nc1cc([N+](=O)[O-])ccc1S2 90367545 MRFMKCMMSFCWHW-UHFFFAOYSA-N 289.272 3.711 5 30 CHBC CC(C)(C)c1csc(Sc2ncccc2[N+](=O)[O-])n1 140528 QQAAFKMJAMELND-UHFFFAOYSA-N 295.389 3.895 5 30 CHBC Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cn1 92606 NTVWADDEOMWSFP-UHFFFAOYSA-N 264.668 3.744 5 30 CHBC CC(=O)Oc1cc(Sc2ccccc2)ccc1[N+](=O)[O-] 91973 GPEJDGMSYSAFFM-UHFFFAOYSA-N 289.312 3.671 5 30 CHBC Cc1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1Cl 166505 HIEUAGPXJAFZGG-UHFFFAOYSA-N 264.668 3.744 5 30 CHBC O=C(O)c1cc([N+](=O)[O-])ccc1Sc1cccs1 108023 PBQGICMIRXZYKM-UHFFFAOYSA-N 281.314 3.506 5 30 CHBC C[C@H](Cc1ccccc1)[N@+](C)([O-])Cc1ccccc1 256169902 LXPCOISGJFXEJE-CRAIPNDOSA-N 255.361 3.762 5 30 CHBC Cc1cn2c(N=O)c(-c3ccc([N+](=O)[O-])cc3)nc2s1 5116339 GKQREIUTZBDBND-UHFFFAOYSA-N 288.288 3.677 5 30 CHBC Nc1ccc(S[C@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 70218 QQZFCJMNSFXDAD-CQSZACIVSA-N 292.335 3.518 5 30 CHBC COc1ccc2c(c1)C=C[C@H](c1ccc([N+](=O)[O-])cc1)O2 2576419 UTLKHYLCBXAVMR-OAHLLOKOSA-N 283.283 3.750 5 30 CHBC in-vitro COc1ccc(Nc2sc(C(C)=O)cc2[N+](=O)[O-])cc1 4347615 VNJMRMAQZYDQMO-UHFFFAOYSA-N 292.316 3.611 5 30 CHBC C[C@H](N)C(=O)Oc1ccc2ccc3cccc4ccc1c2c34 198933548 ONPAAZYJFLUATF-NSHDSACASA-N 289.334 3.837 5 30 CHBC CSc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 150055 ZPOMYMTWQOTNJO-UHFFFAOYSA-N 262.290 3.504 5 30 CHBC CCC[C@@H]1O[C@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1CC 1679849 YXYUHCQYBBQVNQ-BYCMXARLSA-N 279.336 3.835 5 30 CHBC C[C@@H](Cc1ccccc1)[N@+](C)([O-])Cc1ccccc1 256169905 LXPCOISGJFXEJE-MAUKXSAKSA-N 255.361 3.762 5 30 CHBC Cc1ccc([C@@H](C[N+](=O)[O-])Sc2ccc(N)cc2)cc1 103662 VPJGFOVUFUHEMI-OAHLLOKOSA-N 288.372 3.687 5 30 CHBC O=[N+]([O-])c1cnc2ccc(Cl)c(F)c2c1Cl 584882218 UVKXVBSXYBOSSW-UHFFFAOYSA-N 261.039 3.589 5 30 CHBC CC(C)(C)c1csc(Cc2ccc([N+](=O)[O-])cc2)n1 167705 DEMYTDOPBQDJHL-UHFFFAOYSA-N 276.361 3.940 5 30 CHBC CC(=O)c1sc2sc([N+](=O)[O-])c(C)c2c1C 125951 ZNULXXJCWJPBNF-UHFFFAOYSA-N 255.320 3.690 5 30 CHBC O=[N+]([O-])c1ccccc1Oc1cncc(Br)c1 70488617 SJSDNXNVBSVHAB-UHFFFAOYSA-N 295.092 3.545 5 30 CHBC CCCOc1cccc2c(Cl)c([N+](=O)[O-])cnc12 98061851 OALDNWAVDPAYTB-UHFFFAOYSA-N 266.684 3.585 5 30 CHBC O=C(Nc1csc([N+](=O)[O-])c1)Nc1ccccc1Cl 4323511 FTCWSIUSMACZBA-UHFFFAOYSA-N 297.723 3.954 5 30 CHBC Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 114325 DLOOBZZVXWWFOM-UHFFFAOYSA-N 295.298 3.637 5 30 CHBC Cc1cc2nc3cc(Cl)c(O)c(Cl)c3nc2cc1N 263584295 PGDPBBLXBLHCQF-UHFFFAOYSA-N 294.141 3.686 5 30 CHBC CNC(=O)Oc1c2ccccc2cc2ccccc12 96331897 NKLKCGAFZKWWFF-UHFFFAOYSA-N 251.285 3.711 5 30 CHBC Cc1cc(Oc2ncccc2[N+](=O)[O-])c2cc(F)ccc2n1 167130 AQCBWRHHXPCTAF-UHFFFAOYSA-N 299.261 3.778 5 30 CHBC Cc1cc2c(c3cc(F)c4ccccc4c13)C=C[C@@H](O)[C@H]2O 90614315 XSAGGPWJWXETMI-MJGOQNOKSA-N 294.325 3.862 5 30 CHBC COC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 1043213 XAGXOZKGWPRDFO-UHFFFAOYSA-N 296.282 3.530 5 30 CHBC CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1C(C)(C)C 205071463 FKBHZUUALWUPDD-UHFFFAOYSA-N 251.326 3.895 5 30 CHBC COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2)c1 138858 LGMROXXYFKPJKM-UHFFFAOYSA-N 291.328 3.763 5 30 CHBC O=[N+]([O-])c1cc(Cl)c2nc(Br)sc2c1 14985100 YZCNXKBDHKODOA-UHFFFAOYSA-N 293.529 3.620 5 30 CHBC CC(C)Oc1ccccc1Oc1ccc([N+](=O)[O-])cn1 92475 QSSTXBOQSLIVQY-UHFFFAOYSA-N 274.276 3.569 5 30 CHBC Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 3083153 GQHMNGCUYYLXQF-UHFFFAOYSA-N 272.260 3.787 5 30 CHBC CC(C)CCCCCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 33985938 VZPYZYHXSMGBJT-UHFFFAOYSA-N 296.323 3.968 5 30 CHBC Cn1cnc([N+](=O)[O-])c1Sc1ccc(C(C)(C)C)cc1 147697 FQOYXQPCBFBDFE-UHFFFAOYSA-N 291.376 3.777 5 30 CHBC Cc1cc(Oc2ncccc2[N+](=O)[O-])c2ccccc2n1 167118 IYTJCOOFSKHBET-UHFFFAOYSA-N 281.271 3.639 5 30 CHBC COc1ccc2c(c1)C=C[C@@H](c1ccc([N+](=O)[O-])cc1)O2 6200095 UTLKHYLCBXAVMR-HNNXBMFYSA-N 283.283 3.750 5 30 CHBC in-vitro O=[N+]([O-])c1ccc2oc([C@H](O)c3ccc(F)cc3)cc2c1 83758 WBFAIEJVVRMXNW-OAHLLOKOSA-N 287.246 3.562 5 30 CHBC CCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4381925 ACSBGGYHIMIUDI-UHFFFAOYSA-N 277.349 3.930 5 30 CHBC O=c1c(Cl)c2[nH]c3ccccc3nc-2c2ccccc12 100400297 YWOBMBROAVJSKY-UHFFFAOYSA-N 280.714 3.835 5 30 CHBC CCn1c2ccccc2c(=O)c2cc(Cl)ccc21 39123859 PCVDRMVLLKSLSK-UHFFFAOYSA-N 257.720 3.828 5 30 CHBC Cc1cc(NC(=O)c2cccs2)c([N+](=O)[O-])cc1C 4300153 MNZIZANDSLWKRG-UHFFFAOYSA-N 276.317 3.525 5 30 CHBC O=[N+]([O-])c1ccccc1COc1cccc2cccnc12 6095342 DMLVEQQZVAXREO-UHFFFAOYSA-N 280.283 3.722 5 30 CHBC Cc1nc(Cl)c([N+](=O)[O-])c(NCc2ccccc2)c1C 140031857 SXZBSJSVKKEIBX-UHFFFAOYSA-N 291.738 3.872 5 30 CHBC O=C(Nc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 4365197 YGDJRSABKQRHHV-UHFFFAOYSA-N 291.694 3.892 5 30 CHBC CC(C)CCCCCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 145212252 JKFMWCBNRBUHPM-UHFFFAOYSA-N 296.323 3.968 5 30 CHBC O=[N+]([O-])c1ccc(C=Cc2onc3ccccc23)cc1 2265279170 YEJLRKWXYAJJQQ-UHFFFAOYSA-N 266.256 3.906 5 30 CHBC O=[N+]([O-])c1ccc(Br)cc1NC1CCCC1 83730431 CWXSDTYCVIABLU-UHFFFAOYSA-N 285.141 3.712 5 30 CHBC CC(C)Oc1cc([N+](=O)[O-])c(OC(C)C)cc1Cl 5760976 ANYDHFJLAAOZED-UHFFFAOYSA-N 273.716 3.823 5 30 CHBC O=[N+]([O-])c1cc2c3c(ccc4cc([N+](=O)[O-])cc(c43)CC2)c1 6094446 GJWKESBGGYFNFA-UHFFFAOYSA-N 294.266 3.908 5 30 CHBC CC1=Cc2nc3c(ccc4ccccc43)c(C)c2[C@H](O)[C@H]1O 5159785 MGJQPVORMKNYPN-OALUTQOASA-N 291.350 3.508 5 30 CHBC Cc1cc2c(c3cc(F)c4ccccc4c13)C=C[C@@H](O)[C@@H]2O 6070342 XSAGGPWJWXETMI-IEBWSBKVSA-N 294.325 3.862 5 30 CHBC O=[N+]([O-])c1cnc2c(OC(F)(F)F)cccc2c1Cl 98061836 CONOMYDYILYDKL-UHFFFAOYSA-N 292.600 3.695 5 30 CHBC CSc1cccc(NC=Cc2onc(C)c2[N+](=O)[O-])c1 2265269942 VJWPFPWLTQYMPD-UHFFFAOYSA-N 291.332 3.696 5 30 CHBC Cc1ccc(Oc2ncccc2[N+](=O)[O-])c2c1CCC2 132548 JWPULRAZXYRZHI-UHFFFAOYSA-N 270.288 3.579 5 30 CHBC CCN(CC)c1ccc2nnc3ccccc3c2c1 32257106 GJYXMDPOQHWOSY-UHFFFAOYSA-N 251.333 3.629 5 30 CHBC O=[N+]([O-])c1ccc([C@H]2Nc3cc(Cl)ccc3O2)s1 94386 WCHILFJZKVUYKJ-NSHDSACASA-N 282.708 3.813 5 30 CHBC O=[N+]([O-])c1ccc2ncc(Br)cc2c1Cl 382687119 GWSLSGGKORHKSL-UHFFFAOYSA-N 287.500 3.559 5 30 CHBC Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1Br 396147583 FQBMQRNRORGIHE-UHFFFAOYSA-N 284.031 3.685 5 30 CHBC Cc1ccc2cccc([N+](=O)[O-])c2c1Br 575440712 SHFRBYYZJZDSJV-UHFFFAOYSA-N 266.094 3.819 5 30 CHBC CCC[C@@H]1O[C@H](c2cccc([N+](=O)[O-])c2)OC[C@@H]1CC 17311363 YXYUHCQYBBQVNQ-TUKIKUTGSA-N 279.336 3.835 5 30 CHBC O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)nc1 92584 HIBSWRHUZCYNFL-UHFFFAOYSA-N 295.092 3.545 5 30 CHBC CSc1sc([N+](=O)[O-])c2c1C(=O)CC(C)(C)C2 4349819 ATTYRDMBESHFEY-UHFFFAOYSA-N 271.363 3.533 5 30 CHBC O=[N+]([O-])/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 106179 YWHRYXZJZWKPRI-OWOJBTEDSA-N 285.143 3.972 5 30 CHBC O=[N+]([O-])c1ncccc1OCc1c(Cl)cccc1Cl 480170 WAZDUYHETWTYPM-UHFFFAOYSA-N 299.113 3.876 5 30 CHBC O=C(Nc1cccc(Cl)c1)Nc1csc([N+](=O)[O-])c1 4323513 FRBVFYWBWOUZIY-UHFFFAOYSA-N 297.723 3.954 5 30 CHBC O=[N+]([O-])c1ccc(-c2csc(Nc3ccncc3)n2)cc1 112976 LETUEAYDMNCUGE-UHFFFAOYSA-N 298.327 3.857 5 30 CHBC CC[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C 5688449 SKCQHKZCRLKONK-SFHVURJKSA-N 273.225 3.612 5 30 CHBC O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)ccc3O2)s1 94382 WCHILFJZKVUYKJ-LLVKDONJSA-N 282.708 3.813 5 30 CHBC c1ccc2c(c1)c1ccccc1c1nc3nsnc3nc21 39369565 QXOUBJWZRRELGS-UHFFFAOYSA-N 288.335 3.941 5 30 CHBC O=[N+]([O-])c1c(-c2ccc(Cl)cc2)nc2sccn12 5117220 VRDXZMZDTCQVBV-UHFFFAOYSA-N 279.708 3.624 5 30 CHBC CSc1ccccc1NC=Cc1onc(C)c1[N+](=O)[O-] 2265269931 RNLYNQZHSKBTLO-UHFFFAOYSA-N 291.332 3.696 5 30 CHBC O=[N+]([O-])c1cccc2c(-c3ccccc3)ccnc12 13282581 NKDNDDSXVZUMQC-UHFFFAOYSA-N 250.257 3.810 5 30 CHBC O=[N+]([O-])c1ccccc1-n1nccc1-c1cccs1 72190500 NCRGXUDFYSKLRA-UHFFFAOYSA-N 271.301 3.509 5 30 CHBC Cc1c(Br)cc([N+](=O)[O-])cc1C(F)(F)F 118603478 RWDCLDMMTOOIRF-UHFFFAOYSA-N 284.031 3.685 5 30 CHBC O=c1c(Cc2ccc([N+](=O)[O-])cc2)csc2ccccc12 136108 PRJKJLDLSVSKLP-UHFFFAOYSA-N 297.335 3.761 5 30 CHBC CC(C)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 5510705 FGHNPNBPVJDUTM-UHFFFAOYSA-N 258.277 3.906 5 30 CHBC CC(=O)c1cc([N+](=O)[O-])c(NC2CCCCC2)s1 8637216 IBCWXELRYLSQIY-UHFFFAOYSA-N 268.338 3.604 5 30 CHBC O=[N+]([O-])c1ccc(NCc2ccc(Cl)c(Cl)c2)nc1 20421102 HNKDSVPPAKQYKK-UHFFFAOYSA-N 298.129 3.909 5 30 CHBC C[N+](C)(C)CCN(c1ccccc1)c1ccccc1 2033174 SCWFPOLLEQQFQS-UHFFFAOYSA-N 255.385 3.531 5 30 CHBC COc1ccc2c(ccc3oc([N+](=O)[O-])c(C)c32)c1 2021266 CRJXXSSTSDKPEJ-UHFFFAOYSA-N 257.245 3.811 5 30 CHBC CC[N+](C)(CC)C(=O)Nc1ccc(Cl)cc1C 604934878 HFUUDXXGWBSZTQ-UHFFFAOYSA-O 255.769 3.667 5 30 CHBC Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 4365148 HGFSBUNTWYKUND-UHFFFAOYSA-N 272.260 3.787 5 30 CHBC Cc1ccc2nc3c(cc2c1)c(=O)oc1ccccc13 174013 AKTSTRRLOLYTSZ-UHFFFAOYSA-N 261.280 3.803 5 30 CHBC Cc1c[nH]c2c(OCc3ccccc3)cc([N+](=O)[O-])cc12 22001102 QDUILDQBDKMCPA-UHFFFAOYSA-N 282.299 3.964 5 30 CHBC C[C@@H](Cc1ccccc1)[N@@+](C)([O-])Cc1ccccc1 256169910 LXPCOISGJFXEJE-YJBOKZPZSA-N 255.361 3.762 5 30 CHBC O=c1c(=O)c2c3ccccc3cc3cc4ccccc4c1c32 96029575 AYSSMZWWOZPRMT-UHFFFAOYSA-N 282.298 3.895 5 30 CHBC in-vitro O=[N+]([O-])c1ccc2cc3ccccc3c([N+](=O)[O-])c2c1 34565588 KZKKCRIBUXLWCS-UHFFFAOYSA-N 268.228 3.809 5 30 CHBC O=[N+]([O-])c1ccc(-c2csc(-c3cccnc3)n2)cc1 171887 ZBJNAQWLRGXTCC-UHFFFAOYSA-N 283.312 3.780 5 30 CHBC Cc1ccc([N+](=O)[O-])c(C)c1Nc1ccccc1C(=O)O 133495 USWJBGWJODUKDU-UHFFFAOYSA-N 286.287 3.653 5 30 CHBC CC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 33975033 REOMFOZWXMXDFP-UHFFFAOYSA-N 290.241 3.598 5 30 CHBC Nc1ccc(S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 70223 QQZFCJMNSFXDAD-AWEZNQCLSA-N 292.335 3.518 5 30 CHBC O=[N+]([O-])c1ccc2oc([C@@H](O)c3ccc(F)cc3)cc2c1 83756 WBFAIEJVVRMXNW-HNNXBMFYSA-N 287.246 3.562 5 30 CHBC O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccn1 138821 HQYNUUOLXDFUHF-UHFFFAOYSA-N 266.709 3.794 5 30 CHBC O=[N+]([O-])c1ccc(-n2nccc2-c2cccs2)cc1 72190501 HMFGKUNVTVASFT-UHFFFAOYSA-N 271.301 3.509 5 30 CHBC O=[N+]([O-])c1ccc(CSc2cccs2)cc1 96483 GJXZTOFJKOWSAI-UHFFFAOYSA-N 251.332 3.949 5 30 CHBC C[N+](C)(C)CCCCCNC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 2265339947 IWYZMMIPAJDJBN-WAAHFUDESA-N 293.519 3.669 5 30 CHBC Cc1cc(NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1C 4300154 MYSZGFLDQABFEU-UHFFFAOYSA-N 288.278 3.603 5 30 CHBC Cc1ccc([C@H](C[N+](=O)[O-])Sc2ccc(N)cc2)cc1 103665 VPJGFOVUFUHEMI-HNNXBMFYSA-N 288.372 3.687 5 30 CHBC CCOC(=O)c1ccc(Oc2sccc2[N+](=O)[O-])cc1 149620 RQGCKYCFUXUGEQ-UHFFFAOYSA-N 293.300 3.625 5 30 CHBC C[C@H](Cc1ccccc1)[N@@+](C)([O-])Cc1ccccc1 256169908 LXPCOISGJFXEJE-QAPCUYQASA-N 255.361 3.762 5 30 CHBC CCOc1cc2ncc([N+](=O)[O-])c(Cl)c2cc1OCC 98061830 YZRSGIQPJASFGY-UHFFFAOYSA-N 296.710 3.594 5 30 CHBC Cc1ccc(OC(=O)/C=C/c2cccs2)c([N+](=O)[O-])c1 73922 LBLKEBAOEMOTHS-FNORWQNLSA-N 289.312 3.584 5 30 CHBC O=C(Nc1cccc(Cl)c1)c1csc([N+](=O)[O-])c1 143191 KOTVYVPVRROKPB-UHFFFAOYSA-N 282.708 3.562 5 30 CHBC Cc1c([N+](=O)[O-])cc(Br)c2ccccc12 1506662 SIGLNJPRJCTIDS-UHFFFAOYSA-N 266.094 3.819 5 30 CHBC COc1ccc2ccc3ccc(OC)c(O)c3c2c1 14651125 GKDSKCYMUUXQLA-UHFFFAOYSA-N 254.285 3.716 5 30 CHBC endogenous,in-man O=[N+]([O-])c1ccccc1-n1nccc1-c1ccsc1 72190488 BRFAFRQYDWCVIZ-UHFFFAOYSA-N 271.301 3.509 5 30 CHBC O=C(Nc1ccc(Cl)cc1)c1csc([N+](=O)[O-])c1 143188 XCYJFGVTQZQYBP-UHFFFAOYSA-N 282.708 3.562 5 30 CHBC CC(C)(C)c1csc(Sc2ccc([N+](=O)[O-])cn2)n1 140538 YQONGZXLMRKZNG-UHFFFAOYSA-N 295.389 3.895 5 30 CHBC O=[N+]([O-])c1ccc(Cl)c(Br)c1Cl 307395043 GCZNRAYEBNRGKX-UHFFFAOYSA-N 270.897 3.664 5 30 CHBC Cc1cc(OCc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] 110667 ZWVFRMRHZAPZMH-UHFFFAOYSA-N 279.242 3.760 5 30 CHBC CC(=O)c1ccc(Sc2ccccc2N)c([N+](=O)[O-])c1 164830 KQQWGWNTDJNMEF-UHFFFAOYSA-N 288.328 3.531 5 30 CHBC Cc1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 6071472 RNAVNJJFQSEMKN-UHFFFAOYSA-N 284.318 3.900 5 30 CHBC C[N+](C)(C)C1CCC(CC2CCC([N+](C)(C)C)CC2)CC1 1650 GSTUMYVOFKPZNS-UHFFFAOYSA-N 296.543 3.907 5 30 CHBC in-man