smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1cccc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)c1[N+](=O)[O-] 236374702 KJXCDLCLIXHVGM-OCAPTIKFSA-N 303.296 -1.097 5 10 DABE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(NC2COC2)C1 1157601967 IREXTKOCBXTFCP-UHFFFAOYSA-N 308.294 -1.044 5 10 DABE CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)C(N)=O 1296887001 HFXWKGQZVIOYBQ-NXEZZACHSA-N 312.326 -1.166 5 10 DABE C[C@H](CN1CCN(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 1326911279 RUFFTJJDHUAPMJ-SNVBAGLBSA-N 311.346 -1.062 5 10 DABE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c1 236365880 JQEVKBSIWAEGTC-RKDXNWHRSA-N 303.296 -1.097 5 10 DABE CS(=O)(=O)N[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 342385753 DGDGXKBIWMYJFA-QMMMGPOBSA-N 317.327 -1.059 5 10 DABE COc1nc(=NC[C@H]2CCS(=O)(=O)N2)[nH]cc1[N+](=O)[O-] 2157684788 ZRVZPLOZNSYBDU-ZCFIWIBFSA-N 303.300 -1.081 5 10 DABE O=[N+]([O-])c1cncc(S(=O)(=O)N[C@H]2CNCC[C@@H]2O)c1 2183272865 WIBOUHDNPDKYCV-UWVGGRQHSA-N 302.312 -1.009 5 10 DABE NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCO)CCO 42288059 BFRBIMQPOOPEBX-UHFFFAOYSA-N 320.327 -1.144 5 10 DABE CS(=O)(=O)NCCN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1661421772 KOTXACGCFKKIIB-ZYUZMQFOSA-N 320.371 -1.562 5 10 DABE Cn1cc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 1272162707 RHEUVQVYQAHVET-VXGBXAGGSA-N 311.342 -1.004 5 10 DABE Cn1cnnc1CN1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1506094812 GMTMKNAJEQJDSL-NXEZZACHSA-N 324.341 -1.467 5 10 DABE NC(=O)C(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1688827612 FFBXARZGCNBFHG-NXEZZACHSA-N 312.326 -1.118 5 10 DABE CN(C)c1nc(=NCCCS(N)(=O)=O)[nH]cc1[N+](=O)[O-] 2157671024 GLRBZPMJUZBUOR-UHFFFAOYSA-N 304.332 -1.037 5 10 DABE NC(=O)C1(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]32)CC1 1354154236 CCLSEHNXALILTI-SPFKKGSWSA-N 322.321 -1.510 5 10 DABE CN=c1[nH]c(OC[C@H]2CCS(=O)(=O)N2)ncc1[N+](=O)[O-] 2184557559 WGESWNXSXBSELW-ZCFIWIBFSA-N 303.300 -1.081 5 10 DABE CO[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1O 599320782 GHGJMTRPUUISOF-HTQZYQBOSA-N 306.300 -1.292 5 10 DABE C[C@]1(CO)C[C@@H](O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1196285470 MUSPDQBNALTITL-IJLUTSLNSA-N 300.315 -1.030 5 10 DABE O=[N+]([O-])c1cnc(N2CCN3[C@@H](CNS3(=O)=O)C2)nc1 1643223391 OAYMDPKYFUQHPF-QMMMGPOBSA-N 300.300 -1.277 5 10 DABE O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](CO)[C@@H](O)C1 1466833806 QBOZOCZHKIOEIK-SKDRFNHKSA-N 311.294 -1.042 5 10 DABE NNc1ncc([N+](=O)[O-])c(=NCCS(=O)(=O)CCO)[nH]1 2361003962 BLSFKHPGCJGOQE-UHFFFAOYSA-N 306.304 -2.089 5 10 DABE CS(=O)(=O)CC(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704993144 COBDLLYONBIMSV-KHVQUVQLSA-N 319.339 -1.515 5 10 DABE O=[N+]([O-])c1ccccc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 5227299 KUWPCJHYPSUOFW-UHFZAUJKSA-N 301.251 -1.227 5 10 DABE O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCS(=O)(=O)C2)c1 37873902 JWFYALPFCDQWGF-SCZZXKLOSA-N 304.328 -1.071 5 10 DABE O=C(NC1(CCO)CN(CCn2cncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1570759685 KOTAGOQETZYXAQ-GHMZBOCLSA-N 324.341 -1.504 5 10 DABE O=C1NCCO[C@@H]2CCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)[C@H]12 1588099949 ALRGBQBDAGLOSY-SCZZXKLOSA-N 324.297 -1.308 5 10 DABE COC(=O)NCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1737995975 UZICPBBEJCCKQR-HTQZYQBOSA-N 300.271 -1.665 5 10 DABE Cn1[nH]c([N+](=O)[O-])nc1=NCC[C@H]1CNCCS1(=O)=O 2159182894 JGYCCMLEIHDMEA-ZETCQYMHSA-N 304.332 -1.666 5 10 DABE O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H](CO)[C@H](CO)C2)c1 1473673625 DFMYQKIYKZNWDC-JBLDHEPKSA-N 300.315 -1.315 5 10 DABE O=C(NCCN(C(=O)Cn1ncnn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1529759577 RVDXIWLCPZLHPP-NXEZZACHSA-N 323.313 -1.555 5 10 DABE Nc1ccc(C(=O)NCCNS(N)(=O)=O)c([N+](=O)[O-])c1 2157531868 HZHOUYXRVKYMSR-UHFFFAOYSA-N 303.300 -1.300 5 10 DABE O=[N+]([O-])c1ccccc1S(=O)(=O)NC(CO)(CO)CO 236500688 CLVUKTKAGVCGKA-UHFFFAOYSA-N 306.296 -1.411 5 10 DABE O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CS(=O)(=O)C[C@H]1O 2177807604 CKESODVOFOPXKB-NKWVEPMBSA-N 304.284 -1.935 5 10 DABE CN=c1[nH]cc([N+](=O)[O-])c(=NC[C@@H]2CCS(=O)(=O)N2)[nH]1 2146218293 APVMZRMTYXNXBL-LURJTMIESA-N 302.316 -1.626 5 10 DABE CNS(=O)(=O)CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1530431678 SPXHRPOSTTWBDX-HTQZYQBOSA-N 320.327 -2.472 5 10 DABE CN1CCN(C2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1 1639827298 OHSMXRNOEKFTAI-UHFFFAOYSA-N 309.330 -1.356 5 10 DABE C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)CC1 1626898119 UBAOMVNUIXBGOK-DJLDLDEBSA-N 319.339 -1.587 5 10 DABE CCN=c1[nH]cc([N+](=O)[O-])c(=N[C@H](C)CS(N)(=O)=O)[nH]1 2152954945 REYOYQHPMMHCCN-ZCFIWIBFSA-N 304.332 -1.251 5 10 DABE NNc1ncc([N+](=O)[O-])c(=NCCCNS(N)(=O)=O)[nH]1 2157534405 JLTRUDSJZYKHSK-UHFFFAOYSA-N 306.308 -2.313 5 10 DABE CCCn1cc([N+](=O)[O-])c(=O)n(CC(=O)NCCO)c1=O 111545286 MXXFLHVPOOZNBM-UHFFFAOYSA-N 300.271 -1.563 5 10 DABE CNC(=O)NCC(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1506296119 QVJRXOTXPIAVJT-RKDXNWHRSA-N 313.314 -1.750 5 10 DABE CN1C[C@H](O)[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 2146515419 QUHJWVKLIODZSU-BDAKNGLRSA-N 302.312 -1.057 5 10 DABE C[C@@H](CN=c1nc(N(C)C)c([N+](=O)[O-])c[nH]1)S(N)(=O)=O 2157672998 VPRCAFPNFFRZJI-LURJTMIESA-N 304.332 -1.038 5 10 DABE CNS(=O)(=O)CCN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] 1963384147 JCIUWNFRONRWNM-UHFFFAOYSA-N 305.316 -1.051 5 10 DABE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1Cc1nc(=O)o[nH]1 2173285329 ODAMVFMEQVGPDT-UHFFFAOYSA-N 304.244 -1.528 5 10 DABE O=C(O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O 13526571 QSUILVWOWLUOEU-RACFRTOFSA-N 315.234 -1.134 5 10 DABE CCN(CCNC(=O)CS(C)(=O)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1284602552 AWKSCBAYNXCSFB-RKDXNWHRSA-N 321.355 -1.339 5 10 DABE CC(=O)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1720791835 ISDRGUAFNQOEHL-GWOFURMSSA-N 312.326 -1.107 5 10 DABE COC(=O)C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 1116231284 SITDMUFVXHWDFF-MRVPVSSYSA-N 313.270 -1.023 5 10 DABE Cn1cc([N+](=O)[O-])c(C(=O)NN2CCS(=O)(=O)CC2)n1 1645733978 WKAZEXXJFQXUMB-UHFFFAOYSA-N 303.300 -1.297 5 10 DABE CNC(=O)CCCC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1703155529 LOWWPPZEMQMTCC-RKDXNWHRSA-N 300.315 -1.200 5 10 DABE Cc1[nH]c(=N)[nH]c(=NCCCNS(N)(=O)=O)c1[N+](=O)[O-] 2157544479 FVSDDRUQDAUXPH-UHFFFAOYSA-N 305.320 -1.877 5 10 DABE CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCn1cncn1 1688325710 NHMNNMDJGKZHTI-NXEZZACHSA-N 310.314 -1.092 5 10 DABE CN(C)S(=O)(=O)c1ncn(-c2nc([N+](=O)[O-])nn2C)n1 2179124143 GEAKBTAVWLUKGD-UHFFFAOYSA-N 302.276 -1.446 5 10 DABE CS(=O)(=O)[C@@H]1CNC[C@H]1N=c1ccc([N+](=O)[O-])c(N)[nH]1 2192674646 CCZMOZXOATXAIG-HTRCEHHLSA-N 301.328 -1.209 5 10 DABE O=[N+]([O-])c1cccc(S(=O)(=O)NC(CO)(CO)CO)c1 3776959 JVROSQUCYCDRGW-UHFFFAOYSA-N 306.296 -1.411 5 10 DABE Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 236369224 YRDMMLPOYJSBJK-AOOOYVTPSA-N 303.296 -1.097 5 10 DABE O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](O)[C@H](CO)C2)c1 1171229183 IYHXJEFUUPHEMZ-WCQGTBRESA-N 300.315 -1.173 5 10 DABE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]2(CO)CCNC2)cn1 2190274363 VDSGEPNPMZLLAD-SNVBAGLBSA-N 302.312 -1.008 5 10 DABE NS(=O)(=O)c1ccc(NCC2(O)CNC2)c([N+](=O)[O-])c1 312333528 OKKMVYHJERLAGH-UHFFFAOYSA-N 302.312 -1.012 5 10 DABE Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)CN2CCOCC2)n1 1325908753 HQIIKLKNCHAZMO-VIFPVBQESA-N 313.314 -1.249 5 10 DABE CCC(=O)NCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1297201776 ZBXQSSMINYCHBY-NXEZZACHSA-N 312.326 -1.248 5 10 DABE CN(C)S(=O)(=O)CCNc1ncnc(NN)c1[N+](=O)[O-] 231021386 GNBSNRPEFQDOSH-UHFFFAOYSA-N 305.320 -1.026 5 10 DABE Cn1ncc([N+](=O)[O-])c1N1CCN2[C@H](CNS2(=O)=O)C1 1612963415 PPLTWIXNQMOIRF-SSDOTTSWSA-N 302.316 -1.333 5 10 DABE O=C(CCn1cncn1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1704559583 HUCLSQRJKGIRMQ-GHMZBOCLSA-N 322.325 -1.092 5 10 DABE Cn1ncc([N+](=O)[O-])c1C(=O)NCCCNS(N)(=O)=O 2186531453 GQDFFXAYUCBFJE-UHFFFAOYSA-N 306.304 -1.759 5 10 DABE Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCn2ccnn2)n1 599271797 MRGVJZPCSBAOOH-UHFFFAOYSA-N 301.288 -1.102 5 10 DABE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CCCO)n1 1348136458 PVOHRFBRPBQCOO-UHFFFAOYSA-N 308.316 -1.306 5 10 DABE CN=c1nc(N2CCS(=O)(=O)CCN2)c([N+](=O)[O-])c[nH]1 2173805397 ROMJOUDBEFJGLG-UHFFFAOYSA-N 302.316 -1.412 5 10 DABE Cn1cc(CN2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1569772843 BEDPIUGSECMVAE-NXEZZACHSA-N 310.314 -1.857 5 10 DABE NNc1ncc([N+](=O)[O-])c(NCC2(S(N)(=O)=O)CC2)n1 713966276 YILKCWDNWIUYSC-UHFFFAOYSA-N 303.304 -1.097 5 10 DABE O=C(CCn1cc([N+](=O)[O-])cn1)N1CC2(C[C@H](O)CNC2=O)C1 1634491648 HFBOJERLFWEJHS-JTQLQIEISA-N 323.309 -1.109 5 10 DABE CN1C[C@@H](Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)CC1=O 2156814123 WOVSCMJAQDCUIF-LURJTMIESA-N 303.300 -1.083 5 10 DABE CS(=O)(=O)[C@H]1CNC[C@@H]1Nc1ncc([N+](=O)[O-])c(=N)[nH]1 2192657475 KEMDMMZQODOWJP-FSPLSTOPSA-N 302.316 -1.406 5 10 DABE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCn3c(O)nnc3C2)c1 358805257 KUCJPDRQSXTRIN-SECBINFHSA-N 309.286 -1.035 5 10 DABE NC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)O 70302075 DHXRSHHHHBNCSG-LURJTMIESA-N 318.267 -1.403 5 10 DABE COC(=O)C1(O)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 1471417530 WHFJYDGQMUGGLG-UHFFFAOYSA-N 311.250 -1.497 5 10 DABE CN(C(=O)CCn1cnnn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1585499672 JBROMXWQAUSHSP-NXEZZACHSA-N 323.313 -1.602 5 10 DABE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1nccn1 1357215604 BWSLLLYYSONZGC-NXEZZACHSA-N 310.314 -1.140 5 10 DABE NC(CO)(CO)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2286184635 UGDYUPRHVMKGPJ-UHFFFAOYSA-N 305.312 -1.445 5 10 DABE Cn1nnc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1279711371 OESPTLOYENVRTI-RKDXNWHRSA-N 313.318 -2.214 5 10 DABE CS(=O)(=O)NCCN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1567829497 RFFGRRZHICCDJN-NXEZZACHSA-N 320.371 -1.751 5 10 DABE CS(=O)(=O)CC(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1704993143 COBDLLYONBIMSV-BNEREYBLSA-N 319.339 -1.515 5 10 DABE NNc1cnc([N+](=O)[O-])cc1C(=O)NCCS(N)(=O)=O 383548303 RSFHHKNUWPAXKT-UHFFFAOYSA-N 304.288 -1.706 5 10 DABE COCc1ncc([N+](=O)[O-])c(=NCCNS(N)(=O)=O)[nH]1 2286643987 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CNC(=O)NC(=O)CNCCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1276002457 RMTAUNGJOIXTOJ-RKDXNWHRSA-N 315.330 -1.455 5 10 DABE CN(CCNC(=O)c1c[nH]nc1[N+](=O)[O-])CCOCCO 1455178575 PPXOPSKKAMRHIS-UHFFFAOYSA-N 301.303 -1.012 5 10 DABE CCN(C)C(=O)CN1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1716936280 IXSABSRCTFFCLW-NXEZZACHSA-N 314.342 -1.707 5 10 DABE Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 236369073 GITPTZSGCTXBMI-IUCAKERBSA-N 303.296 -1.097 5 10 DABE CCNC(=O)CCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1297047645 RSYZGIJENXNBMQ-NXEZZACHSA-N 312.326 -1.105 5 10 DABE CCC(=O)NCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1505987446 XOORZGQFHPNUDP-RKDXNWHRSA-N 312.326 -1.057 5 10 DABE O=C(O)[C@@H](CO)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2188010684 XSQOACBRFBWAAF-ZCFIWIBFSA-N 305.268 -1.039 5 10 DABE CC(C)(C(=O)N1CC2(C1)NC(=O)NC2=O)n1cc([N+](=O)[O-])cn1 1180851154 NFVARJGLPWBDRN-UHFFFAOYSA-N 322.281 -1.053 5 10 DABE C[C@@H](O)CN(CCO)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1328756089 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O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2CCS2(=O)=O)c1 2150740302 WUOBBLIOORCJMR-NXEZZACHSA-N 304.328 -1.071 5 10 DABE Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(S(C)(=O)=O)C2)n1 1329221501 BGZZYIBHJCTPRP-UHFFFAOYSA-N 324.340 -1.254 5 10 DABE CNC(=O)NCCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1745853496 XBMHAFFPYCUNMT-RKDXNWHRSA-N 313.314 -1.702 5 10 DABE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1CCS(C)(=O)=O 302330508 RXKOVQUAALOEAG-UHFFFAOYSA-N 312.329 -1.208 5 10 DABE Cn1ccnc1CNCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1279710759 CEYFJZYRZKPMFQ-GHMZBOCLSA-N 311.342 -1.004 5 10 DABE CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(N)=O 1280813593 DZGLNHANOJXWJS-RKDXNWHRSA-N 315.330 -1.373 5 10 DABE CN1C[C@@H](Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)OC1=O 2156815550 IXVMILZKTJKMEE-YFKPBYRVSA-N 305.272 -1.111 5 10 DABE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccc([N+](=O)[O-])cn1 2295578290 GTDCDRZJAQEUGC-IUCAKERBSA-N 301.280 -1.123 5 10 DABE NNc1ncc([N+](=O)[O-])c(N2CC[C@H](S(N)(=O)=O)C2)n1 707415976 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303.256 -1.632 5 10 DABE NS(=O)(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1[N+](=O)[O-] 135327640 MGMAPNFNUHLCBA-RXMQYKEDSA-N 310.313 -1.202 5 10 DABE CN(C(=O)CNC(=O)C1CC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1285998256 AVGMWUVDCTWIQF-GHMZBOCLSA-N 324.337 -1.153 5 10 DABE CN(CCNC(=O)CCc1cnn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721127246 ZBAHWBKMGJQPGR-GHMZBOCLSA-N 324.341 -1.013 5 10 DABE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(NC2COC2)C1 1636333305 HBLNYNUVUZMZFJ-UHFFFAOYSA-N 308.294 -1.044 5 10 DABE CNS(=O)(=O)CCN=c1[nH]c(COC)ncc1[N+](=O)[O-] 2286633846 ZTKWZFRVYOGAGQ-UHFFFAOYSA-N 305.316 -1.086 5 10 DABE O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCNC[C@H]2O)cn1 710420293 OSNIIBUGHARQIJ-RKDXNWHRSA-N 302.312 -1.009 5 10 DABE NC(=O)CNC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 1724355754 MYYCSGLPRPFMRG-RKDXNWHRSA-N 300.315 -1.608 5 10 DABE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1(C(N)=O)CC1 1758369802 SOBRXQZWZGHMJT-RKDXNWHRSA-N 312.326 -1.118 5 10 DABE 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CN(CCNS(C)(=O)=O)C(=O)c1nn(C)cc1[N+](=O)[O-] 1319784849 QVNOGMXEBBBBEU-UHFFFAOYSA-N 305.316 -1.051 5 10 DABE CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cnnn1 1758369488 GWEMHVMYORRFAF-RKDXNWHRSA-N 311.302 -1.697 5 10 DABE Cc1c(S(N)(=O)=O)c([N+](=O)[O-])nn1C[C@H]1CNC(=O)C1 2156822850 FGJGQHAQBCXTLR-ZCFIWIBFSA-N 303.300 -1.117 5 10 DABE Nc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 236365888 JQEVKBSIWAEGTC-IUCAKERBSA-N 303.296 -1.097 5 10 DABE C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCS1(=O)=O 1643704828 NEAIQNZBGOTVED-ZETCQYMHSA-N 303.300 -1.168 5 10 DABE CC(=O)N(C)CC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1721079685 XKQCNIMWDBNQLJ-NXEZZACHSA-N 300.315 -1.296 5 10 DABE Cn1cc(C(=O)N2C[C@H]3C(=O)NC(=O)[C@@H]3C2)cc([N+](=O)[O-])c1=O 1889801920 KQDPJALDOHMTIZ-HTQZYQBOSA-N 320.261 -1.362 5 10 DABE CN(C(=O)CCCC(N)=O)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1286020821 WZVWPPPVQNSLCO-NXEZZACHSA-N 312.326 -1.024 5 10 DABE Cn1cc(CN2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])n1 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Cn1[nH]c(=NCCNS(=O)(=O)C(F)F)nc1[N+](=O)[O-] 2345019397 QRYGBBTVNOZMQT-UHFFFAOYSA-N 300.247 -1.301 5 10 DABE O=C(CCn1ccnn1)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1349949596 WEVSXVFQVHAQTB-NXEZZACHSA-N 310.314 -1.044 5 10 DABE CN1CCN(C(=O)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 1457324187 YOVZFGWLOASEJJ-UHFFFAOYSA-N 310.314 -1.168 5 10 DABE O=C(CC(=O)NCC1CC1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1686589083 HQKWIWMBYWAERF-NXEZZACHSA-N 312.326 -1.200 5 10 DABE O=C(NCCN1CCN(Cc2cnon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1731365250 JPVCIOOUNOEFKL-VXGBXAGGSA-N 324.341 -1.031 5 10 DABE C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C1(O)CNC1 1918664799 ASZRYBKZDJYPJS-SSDOTTSWSA-N 302.312 -1.009 5 10 DABE O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@]2(O)CCNC2)cn1 2144612080 ZODFUOPBWQSCDK-JTQLQIEISA-N 302.312 -1.008 5 10 DABE CN1C[C@@H](O)[C@H](NS(=O)(=O)c2cncc([N+](=O)[O-])c2)C1 2146512308 AXQZKSBIIWLAHT-NXEZZACHSA-N 302.312 -1.057 5 10 DABE Nc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](O)[C@H](O)C1 312617897 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O=C(CNC(=O)C1CC1)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1533393978 OMMXBTVXZOYMAJ-JLVKAVFRSA-N 324.337 -1.034 5 10 DABE O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](CO)CN1CCOCC1 619871153 ZHQBAOZCSIUYIO-SNVBAGLBSA-N 313.314 -1.399 5 10 DABE O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1[C@H]2COC[C@H]21 1322979937 OVHCZBXLOPIAKA-MYJAWHEDSA-N 309.282 -1.332 5 10 DABE CNC(=O)NCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1585396592 ORZSYDPEMQISJH-RKDXNWHRSA-N 313.314 -1.750 5 10 DABE C[C@@H](C(=O)NC(N)=O)n1cc(S(N)(=O)=O)c([N+](=O)[O-])n1 2156818416 SYAKICYCBDCFBP-VKHMYHEASA-N 306.260 -1.805 5 10 DABE NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CCO)c1 40750916 IASQGSUFZIRPOO-UHFFFAOYSA-N 320.327 -1.144 5 10 DABE COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1618357426 SCVKTONICGRALK-PRJMDXOYSA-N 306.296 -1.550 5 10 DABE C[C@H](CS(N)(=O)=O)NC(=O)CCn1cnc([N+](=O)[O-])c1 2152956561 FAOXMQHZUWPPAT-SSDOTTSWSA-N 305.316 -1.025 5 10 DABE O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 2539570 IFBHRQDFSNCLOZ-PREPNJAASA-N 301.251 -1.227 5 10 DABE CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1nc[nH]n1 1532970254 VRVBHOAFSPJQPF-RKDXNWHRSA-N 310.314 -1.071 5 10 DABE COCC(=O)NCC1(O)CN(Cc2c([N+](=O)[O-])ncn2C)C1 1699909700 XPMWOFDZNPROIL-UHFFFAOYSA-N 313.314 -1.362 5 10 DABE NNc1ncnc(NC[C@@H]2CCS(=O)(=O)N2)c1[N+](=O)[O-] 2146206982 KBTDTLZDMDSJON-YFKPBYRVSA-N 303.304 -1.226 5 10 DABE COCCN(CC(=O)N(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 353845580 YULJXLVQNSRNQG-UHFFFAOYSA-N 314.302 -1.251 5 10 DABE O=C1CO[C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]2N1 1436607329 SKSXHIYSZLBBTR-HTQZYQBOSA-N 310.270 -1.698 5 10 DABE O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 5227192 IFBHRQDFSNCLOZ-MJDLHHQISA-N 301.251 -1.227 5 10 DABE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] 1646362023 MJSHSLZWDUWHCQ-ZETCQYMHSA-N 311.254 -1.226 5 10 DABE CC(=O)N1CC(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 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