smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1CNCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 419150627 MQGQEGNIUKNAGD-LLVKDONJSA-N 399.429 -1.190 5 20 GABD O=C(C(=O)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1)N1CCOCC1 274913195 VEWUFMFSZZQRDI-UHFFFAOYSA-N 393.356 -1.161 5 20 GABD O=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)=NN1 1779381102 QQTACNCRIKCAHK-HNNXBMFYSA-N 391.344 -1.363 5 20 GABD COc1ccc(C(=O)NCC(=O)N2CCN(CC(N)=O)CC2)cc1[N+](=O)[O-] 531838974 KUWDNIDRAOSBHY-UHFFFAOYSA-N 379.373 -1.037 5 20 GABD CS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826223657 VFLWLLDFGLNKDY-UHFFFAOYSA-N 391.391 -1.398 5 20 GABD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830395986 GDTKQKCJDQBELR-OAHLLOKOSA-N 384.345 -1.696 5 20 GABD CN(CCCN)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 580467529 ZSIHNUNYSFDPAC-UHFFFAOYSA-N 387.418 -1.204 5 20 GABD O=C(O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 591568321 LQGCHWCHBVMXAP-LBPRGKRZSA-N 393.356 -1.050 5 20 GABD CNCCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 419121171 ANOMWOFXWPBTKI-UHFFFAOYSA-N 387.418 -1.285 5 20 GABD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCNC1 419173743 UEUXOELEIIDLCZ-NSHDSACASA-N 399.429 -1.143 5 20 GABD NC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 459844335 GTXIUWSWVQOBCK-CQSZACIVSA-N 391.384 -1.044 5 20 GABD C[C@@H](CN)N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 419152569 OPIYVVMBCJORPH-JTQLQIEISA-N 387.418 -1.205 5 20 GABD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1782785783 SNOOOMYLVNKREK-INIZCTEOSA-N 396.356 -2.103 5 20 GABD C[C@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N 419154687 SAHIXANFURBXEJ-GWCFXTLKSA-N 399.429 -1.205 5 20 GABD O=C(COCCO)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779387328 SMCBZSBGCCETBA-HNNXBMFYSA-N 383.361 -1.230 5 20 GABD NC(=O)c1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 498962866 CAFPUDCJBQSAHU-HUUCEWRRSA-N 398.441 -1.031 5 20 GABD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] 597625601 DIFZZGVYFMCWDU-LLVKDONJSA-N 395.372 -0.448 5 20 GABD O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CN1 1800524291 WYFOLSHQWWBYQG-GUDRVLHUSA-N 392.372 -1.343 5 20 GABD C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779386991 MQFYYMFNZBVGRC-BMIGLBTASA-N 380.361 -1.104 5 20 GABD COCCCS(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 432705532 GOMVKSQZDSXTBY-UHFFFAOYSA-N 376.395 -1.303 5 20 GABD C[C@H](c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C)[N+](=O)[O-] 1525484354 YPOWDBIUVCDOJM-LLVKDONJSA-N 381.393 -1.340 5 20 GABD CNS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 440159194 PQFUFLMLTMWGKV-UHFFFAOYSA-N 394.431 -1.071 5 20 GABD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 597500469 LJRAPRVQEQDNHD-MGPQQGTHSA-N 386.382 -1.103 5 20 GABD COC(=O)C[C@@H](O)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 600456220 IBLXUPUPRZYPJO-SECBINFHSA-N 375.359 -1.087 5 20 GABD CNCCCNC(=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 419169179 LWNAQSGMGGZCQZ-UHFFFAOYSA-N 387.418 -1.285 5 20 GABD NCCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H](O)CO 852753472 BRRHCORNTRMITG-INIZCTEOSA-N 381.433 -1.143 5 20 GABD O=C1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])CN1 1796405705 OTTDVQNPUDWKKC-GUDRVLHUSA-N 392.372 -1.343 5 20 GABD O=C([C@@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389648 PISSVYYWCFQZAK-CQSZACIVSA-N 394.388 -1.215 5 20 GABD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 567463656 UFQIKZYFDVGDDG-NSHDSACASA-N 385.354 -1.079 5 20 GABD O=C(Cn1ccc(=O)[nH]c1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66345517 KDMCNDNLOXKRDQ-UHFFFAOYSA-N 397.369 -1.461 5 20 GABD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1325745676 WHTMYPFSHNEUFQ-OLZOCXBDSA-N 387.418 -1.517 5 20 GABD C[C@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57443813 BAXUMIMOQOFDJO-VIFPVBQESA-N 394.431 -1.073 5 20 GABD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CC(N)=O)C(=O)C1 458036847 AUCPWGDQLFXWFS-SNVBAGLBSA-N 377.357 -1.131 5 20 GABD O=C1CNC(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826481156 JIIBSOBNAUTQSL-UHFFFAOYSA-N 396.345 -1.395 5 20 GABD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830393207 UGMYKDPUEKWTLA-AWEZNQCLSA-N 385.333 -2.301 5 20 GABD NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 273696249 CKQSPJNUEVMRRV-UHFFFAOYSA-N 394.387 -1.197 5 20 GABD O=C(CN1CCOCC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 280771058 YZPDLEXJCCDOOX-UHFFFAOYSA-N 386.386 -1.152 5 20 GABD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832800146 KBDWKAZKKRFQLF-WBMJQRKESA-N 397.388 -1.372 5 20 GABD NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411365 GWPPRQUMWYWAHV-VIFPVBQESA-N 379.377 -1.272 5 20 GABD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424502282 NNFACZBVCLWVIO-GFCCVEGCSA-N 399.381 -1.036 5 20 GABD CN1CC(=O)N(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 609736980 SQGFPMCEHWZUPX-UHFFFAOYSA-N 399.385 -1.117 5 20 GABD CS(=O)(=O)NC(=O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 282354832 XABSRVJWENDMIN-UHFFFAOYSA-N 398.353 -1.227 5 20 GABD CN(CCOC(=O)Cn1cnc([N+](=O)[O-])n1)S(=O)(=O)N1CCOCC1 731294494 JJJAMDGAFGMZRC-UHFFFAOYSA-N 378.367 -1.762 5 20 GABD O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)N1CCOCC1 826412911 JAFGZFBPZSXSPD-UHFFFAOYSA-N 397.373 -1.088 5 20 GABD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)ncc1[N+](=O)[O-] 1792796367 SRXNAJWLEUOTEB-DDFAGTSDSA-N 380.357 -1.188 5 20 GABD C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835525485 FZARNJUQYCSEME-BDJLRTHQSA-N 396.404 -1.017 5 20 GABD Cc1[nH]nc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1[N+](=O)[O-] 469891757 TZLMFNYIAOTTFA-UHFFFAOYSA-N 378.349 -1.271 5 20 GABD NC(=O)NCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1847106984 CVYDRVRZUPIEET-UHFFFAOYSA-N 392.372 -1.372 5 20 GABD NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1842945243 QKOYWYLVGKCOPZ-SECBINFHSA-N 379.377 -1.272 5 20 GABD CNc1nccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-] 567483711 ACYFBLUGTGWUAG-NWDGAFQWSA-N 399.429 -0.741 5 20 GABD O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 826425244 VXAMZJWBGBQONU-CMPLNLGQSA-N 389.332 -1.423 5 20 GABD CCN(CC)S(=O)(=O)CC(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 861326968 RLIHYHAEMFAPSZ-UHFFFAOYSA-N 383.408 -1.195 5 20 GABD O=C1NC(=O)N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]12 489513810 RMTZLWSDEGKDBP-JTQLQIEISA-N 387.308 -1.047 5 20 GABD O=C(Cn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795852510 PJQFIKWUXJITFL-DDFAGTSDSA-N 390.360 -1.187 5 20 GABD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404768 WWIFTLSFRLKTOC-OSUNSFLBSA-N 394.388 -1.756 5 20 GABD CCN(CC)S(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 917254381 RXEBGUZNZNSPQC-UHFFFAOYSA-N 375.411 -1.083 5 20 GABD O=C1CN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)N1 1848067629 NFDDGPJIKOBKFE-IUCAKERBSA-N 391.344 -1.315 5 20 GABD O=C1CN(c2cc(N3CCNC(=O)C3)c([N+](=O)[O-])cc2-c2nn[nH]n2)CCN1 1607047516 UDVKOXHMJJKPFC-UHFFFAOYSA-N 387.360 -1.353 5 20 GABD CCNCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 419344794 GGDCJNKFQXXCSR-UHFFFAOYSA-N 387.418 -1.285 5 20 GABD N=C(N)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795534145 JKVLHKXLPPGWRZ-WDAIWFPHSA-N 394.392 -2.136 5 20 GABD Cc1c(C(=O)N2CCN(C(=O)CO)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 481723169 JDDRLOLNXXCCHL-UHFFFAOYSA-N 386.386 -1.173 5 20 GABD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 267384438 NYAIPGOKHHSGGH-UHFFFAOYSA-N 388.344 -1.109 5 20 GABD CCn1cc(-c2nn[nH]n2)c(=O)n(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O 821565265 LPNXDEATLMZITL-VIFPVBQESA-N 377.321 -1.624 5 20 GABD CN1CCN(S(=O)(=O)c2ccc(N[C@@H](CO)C(N)=O)c([N+](=O)[O-])c2)CC1 286370043 NROHJTZLFNXUMS-LBPRGKRZSA-N 387.418 -1.211 5 20 GABD O=C(CN1CCC(=O)NC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 518906412 DHXCYDUZUMQFGG-UHFFFAOYSA-N 399.385 -1.069 5 20 GABD O=C1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])N1 1796402032 XVSFHHLCCJKWHJ-WYFGTUCQSA-N 392.372 -1.200 5 20 GABD N=C(N)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010822 FPXZNVAITHEQOH-AKZRSSKFSA-N 380.365 -1.996 5 20 GABD NC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778059501 SNCZENSLDPJFSS-LYOVBCGYSA-N 395.420 -1.269 5 20 GABD C[C@H](N)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 591418868 NKCFJMGCEPZURN-NSHDSACASA-N 399.429 -1.109 5 20 GABD O=C(NCCN1C(=O)CNC1=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 265104809 VGZKNVHTIJPSJU-DGCLKSJQSA-N 381.345 -1.160 5 20 GABD CNC(=O)[C@@H](O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 808048557 YBTBAUKAXHQTGI-ZDUSSCGKSA-N 389.434 -1.047 5 20 GABD O=C(NCCN1CCNCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 576332398 UVLQJYPAHBTWCY-UHFFFAOYSA-N 391.432 -1.340 5 20 GABD CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837793796 CGXMMSMWRKJYTP-MRXNPFEDSA-N 396.404 -1.051 5 20 GABD Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 375240609 ITRPFZWRRDNMKD-RYUDHWBXSA-N 385.402 -1.200 5 20 GABD C[C@H](CN)N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 419351106 OJNPXILHDZJMFD-SNVBAGLBSA-N 387.418 -1.205 5 20 GABD CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000352 NCJIMYYFCXOQKA-DRXBFXEBSA-N 380.405 -1.058 5 20 GABD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CNC(=O)CN)CC1 262326561 ACFSVNAPKYLVNZ-UHFFFAOYSA-N 399.429 -1.189 5 20 GABD CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382143 GGQQCMVHQWNQAR-HNNXBMFYSA-N 380.361 -1.103 5 20 GABD 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392.372 -1.103 5 20 GABD NCC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 470471969 BVIOQZBNXKFUTC-UHFFFAOYSA-N 385.402 -1.497 5 20 GABD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC(=O)N1 562691415 JVJYVDQDQIVPDH-NSHDSACASA-N 376.373 -1.015 5 20 GABD CNC(=O)CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 563500454 JSJGZAVYFNBBCX-UHFFFAOYSA-N 385.402 -1.254 5 20 GABD CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])n1 611105963 PNHMBZAPCARLAE-UHFFFAOYSA-N 396.451 -1.076 5 20 GABD O=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)=NN1 1778939195 UPIZGRNDBLHNCT-OAHLLOKOSA-N 391.344 -1.363 5 20 GABD Cn1c(=O)c2cc(C(=O)OCCn3cnc([N+](=O)[O-])n3)n(C)c2n(C)c1=O 789444306 ZHZUZAIWEPWCKA-UHFFFAOYSA-N 377.317 -1.068 5 20 GABD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1326356242 KXKNLINDBGXRIE-NWDGAFQWSA-N 387.418 -1.286 5 20 GABD CNC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 281326815 TUNHRLOUKAYYKM-NSHDSACASA-N 386.386 -1.154 5 20 GABD O=C1CN2C(=O)N(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2CN1 348396736 VFXDIFFSRPBLEN-NSHDSACASA-N 397.369 -1.364 5 20 GABD Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 375240615 ITRPFZWRRDNMKD-VXGBXAGGSA-N 385.402 -1.200 5 20 GABD CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 467302664 KKBAQANXIXXEHN-UHFFFAOYSA-N 391.388 -1.281 5 20 GABD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCNCC1 579952897 UKRKUQNYGMKHQZ-UHFFFAOYSA-N 378.389 -1.058 5 20 GABD NC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 531838884 VOBQZMRMCOHQMK-UHFFFAOYSA-N 399.429 -1.107 5 20 GABD Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798007851 QHFMCMDPNWHFIL-BZBKMWRSSA-N 390.360 -1.037 5 20 GABD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840021643 NAWWDJMTMBPQMH-MLGOLLRUSA-N 397.388 -1.372 5 20 GABD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCNC1 419133210 FKNREYWQVZIWAG-NSHDSACASA-N 399.429 -1.143 5 20 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Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)c(=O)n(C)c1=O 750759680 DHFZVIYGOJWBII-ZZXKWVIFSA-N 395.353 -1.095 5 20 GABD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCN1C(=O)CNC1=O 281009712 SCKKFDHGXJZNAA-UHFFFAOYSA-N 399.385 -1.069 5 20 GABD C[C@@H]1CNCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 419361221 XOAKPQRKXKJDOS-LLVKDONJSA-N 399.429 -1.190 5 20 GABD CN(CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 57405118 SUPOHKWGKBEFGX-UHFFFAOYSA-N 394.431 -1.119 5 20 GABD O=C(NCC(=O)N1CCOCC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1323366630 UJICWBKAKVXUQT-UHFFFAOYSA-N 394.388 -1.070 5 20 GABD NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1787425976 JEPHGGHFMMRTET-GMOBBJLQSA-N 381.393 -1.803 5 20 GABD CN1CCN(S(=O)(=O)c2ccc(NC[C@H](O)C(N)=O)c([N+](=O)[O-])c2)CC1 278466402 CBPHDKDFDIODGM-ZDUSSCGKSA-N 387.418 -1.211 5 20 GABD NCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 419843649 XXZAZSZBRVQOCL-UHFFFAOYSA-N 399.429 -1.107 5 20 GABD O=C1CN(C(=O)c2cc(C(=O)N3CCNC(=O)C3)cc([N+](=O)[O-])c2)CCN1 460977570 GQLGAMMXNAJBQU-UHFFFAOYSA-N 375.341 -1.261 5 20 GABD NC(=O)C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 600677886 KQOLQYSPKWOPLL-JTQLQIEISA-N 386.386 -1.024 5 20 GABD O=C1CN2C(=O)N(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2CN1 348389095 NRAXQNRVGYHLEK-LLVKDONJSA-N 397.369 -1.364 5 20 GABD Cn1nncc1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 480475745 WQMFPJMQKVFDLO-UHFFFAOYSA-N 390.403 -1.020 5 20 GABD CN(C)C(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840392604 KVGRVUNDFULZEM-LZQZFOIKSA-N 383.361 -1.556 5 20 GABD CCn1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c([N+](=O)[O-])n1 1777009181 BCDUIKYSBAPOSO-SSDOTTSWSA-N 382.376 -1.317 5 20 GABD CN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H](CN)C1 564827277 UHFBEHWBJMOMJK-AWEZNQCLSA-N 391.432 -1.260 5 20 GABD CN1CCN(S(=O)(=O)N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CC1 478017006 NLWUDGQEBMSLCW-UHFFFAOYSA-N 387.466 -1.099 5 20 GABD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CS(=O)(=O)C[C@H]1O 565212640 JRLZNUCNESRAPE-MWLCHTKSSA-N 385.354 -1.406 5 20 GABD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] 597625602 DIFZZGVYFMCWDU-NSHDSACASA-N 395.372 -0.448 5 20 GABD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893049 LSMDDTXSXADSDP-LLVKDONJSA-N 399.385 -1.078 5 20 GABD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781242347 SWUSVTYANOARPM-WBMJQRKESA-N 394.388 -1.244 5 20 GABD O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CN1 1800524292 WYFOLSHQWWBYQG-MWGHHZFTSA-N 392.372 -1.343 5 20 GABD CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779388188 DXTRPYRAWRTUNY-OAHLLOKOSA-N 380.361 -1.103 5 20 GABD C[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782789280 PZBLKPZWHNSHSU-YVEFUNNKSA-N 394.384 -1.033 5 20 GABD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 530774903 NYHTZJQMXZLREE-UHFFFAOYSA-N 379.420 -1.415 5 20 GABD O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 534912714 KIELCWBSDZHGGL-KGLIPLIRSA-N 386.430 -1.156 5 20 GABD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 548410676 LUBYVRLUQUWQJK-UHFFFAOYSA-N 387.422 -1.432 5 20 GABD O=C(Cn1cnc([N+](=O)[O-])n1)NCCS(=O)(=O)NC[C@H]1CCCCO1 609507719 KBDDXKJJIQGPGE-SNVBAGLBSA-N 376.395 -1.209 5 20 GABD N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388886 BZYNHEPWYGINHF-UHFFFAOYSA-N 376.377 -1.025 5 20 GABD O=C1COCCN1CC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861407420 OLAZGNAICYGBNC-UHFFFAOYSA-N 387.370 -1.037 5 20 GABD O=C(CN1CC(=O)NC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 518987130 VQYIVGHZEALHBD-UHFFFAOYSA-N 385.358 -1.459 5 20 GABD CN(C)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 544198356 YYMYTAVCXWDKBL-UHFFFAOYSA-N 394.431 -1.119 5 20 GABD C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508027 HFRMBVLVULXNLF-ZUZCIYMTSA-N 383.361 -1.231 5 20 GABD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 1848165123 ANQGCRFDOJMHDL-RYUDHWBXSA-N 375.349 -1.320 5 20 GABD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]cc2[N+](=O)[O-])N1 1848130432 SMJDKUAWHBOKRN-VGMNWLOBSA-N 391.344 -1.269 5 20 GABD NC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779601178 VFOIPSOTFFEZMI-KANYHAFZSA-N 395.420 -1.269 5 20 GABD CC(C)NC(=O)C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 298788152 IVVXNYOLOOOMAJ-UHFFFAOYSA-N 379.373 -1.048 5 20 GABD Cn1nncc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 477600508 TYYYSMOLBLWCIF-UHFFFAOYSA-N 390.403 -1.020 5 20 GABD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)n1 599265607 GNBSQPLYRLASHK-UHFFFAOYSA-N 390.403 -1.020 5 20 GABD CN(C)C(=O)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 275943989 ZPYUEJFJUUDPSN-UHFFFAOYSA-N 386.386 -1.311 5 20 GABD CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 809838684 GEVWIPVNYWECIW-LLVKDONJSA-N 388.358 -1.063 5 20 GABD NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1842880333 CYPUFVLDNHVQAO-VIFPVBQESA-N 379.377 -1.272 5 20 GABD O=C1NC(=O)[C@@H](CC(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)N1 1841960441 ZAVKUPVDBPLVNO-MRVPVSSYSA-N 391.344 -1.267 5 20 GABD NC(=O)C1=NO[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 281854167 NDDUJKHHIAEOSW-SSDOTTSWSA-N 375.297 -1.063 5 20 GABD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC(=O)N1CCOCC1 280929212 HAWIHVZLBHIXHF-UHFFFAOYSA-N 386.386 -1.152 5 20 GABD CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834716541 XTVQCDXEOZQPBM-OAHLLOKOSA-N 381.345 -1.023 5 20 GABD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCNC1 419133209 FKNREYWQVZIWAG-LLVKDONJSA-N 399.429 -1.143 5 20 GABD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1326356243 KXKNLINDBGXRIE-RYUDHWBXSA-N 387.418 -1.286 5 20 GABD O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCNCC2)c1-c1nn[nH]n1 1593484685 DBKXPKJKGYJWPX-UHFFFAOYSA-N 382.406 -1.042 5 20 GABD CNS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 267572721 HOYSTKRZJZXVEN-UHFFFAOYSA-N 380.404 -1.462 5 20 GABD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848162423 XKLWUDHEONKQNS-AGIUHOORSA-N 393.404 -1.414 5 20 GABD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424494958 FLKKEMWQMHTTTH-LBPRGKRZSA-N 399.381 -1.036 5 20 GABD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)C(O)O)C2)C1 1832793833 URDDUHRMVNDIBV-OAHLLOKOSA-N 399.360 -2.442 5 20 GABD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1838824577 MUGDAJANXGWFSD-HNNXBMFYSA-N 384.345 -1.696 5 20 GABD CN[C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 419157402 WMQVHZSPJANRSH-SNVBAGLBSA-N 387.418 -1.287 5 20 GABD O=C1CN2C(=O)N(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2CN1 348396735 VFXDIFFSRPBLEN-LLVKDONJSA-N 397.369 -1.364 5 20 GABD NCCn1cc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 582677113 NRRYUDUWSLSSEV-UHFFFAOYSA-N 383.390 -1.147 5 20 GABD 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COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 619491433 LDFAXTCTKFJBJJ-VIFPVBQESA-N 384.370 -1.065 5 20 GABD COc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-] 269165774 WVQRERCLCQWZFG-VIFPVBQESA-N 384.370 -1.065 5 20 GABD Cn1cnn(CCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O 293641008 HDNHCHMBSBPLLM-UHFFFAOYSA-N 398.401 -1.025 5 20 GABD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824190 MZDOUJVGJSMTPH-UHFFFAOYSA-N 391.388 -1.557 5 20 GABD O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 825630664 MCVCMPDZAFGOSA-AWEZNQCLSA-N 375.345 -1.014 5 20 GABD NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826391139 XSWZPRNQGXTHEE-QMMMGPOBSA-N 383.346 -1.350 5 20 GABD C[C@@H](c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C)[N+](=O)[O-] 1525484369 YPOWDBIUVCDOJM-NSHDSACASA-N 381.393 -1.340 5 20 GABD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005095 KUKXACWMQHCBRI-OHTBPHCPSA-N 394.388 -1.485 5 20 GABD 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Cn1cnn(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 487676344 PPFLZAFKPANHRB-UHFFFAOYSA-N 384.374 -1.415 5 20 GABD COC(=O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543566327 XCGYMZLIKSNLDC-NSHDSACASA-N 375.359 -1.087 5 20 GABD O=C(CNC(=O)[C@@H]1CCCN1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 592054927 DOJUTMNNLCSEBT-ZDUSSCGKSA-N 399.429 -1.143 5 20 GABD CN[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 419157393 WMQVHZSPJANRSH-JTQLQIEISA-N 387.418 -1.287 5 20 GABD Cn1cnc2c1c(=O)n(CC(=O)OCCn1cnc([N+](=O)[O-])n1)c(=O)n2C 749075792 BOCGMAHANHAVKU-UHFFFAOYSA-N 378.305 -1.823 5 20 GABD Cn1nncc1S(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 781736056 DATUKUXNEZZPOQ-UHFFFAOYSA-N 396.341 -1.046 5 20 GABD NC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1785625505 MPKDOZJRWRFRRW-HNNXBMFYSA-N 395.376 -1.711 5 20 GABD O=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])CN1 1796405706 OTTDVQNPUDWKKC-MWGHHZFTSA-N 392.372 -1.343 5 20 GABD O=C1C[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CN1 612566238 QZRRXMFAJXKQBX-SCVCMEIPSA-N 398.397 -1.277 5 20 GABD O=C1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 1324744294 HEJDKQNASXCCAV-UHFFFAOYSA-N 389.368 -1.162 5 20 GABD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 279345287 VCBMWYRQTBHYPR-LBPRGKRZSA-N 385.406 -1.118 5 20 GABD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCNC(=O)C1 512466041 OGPQJKDUEADQAO-UHFFFAOYSA-N 399.429 -1.189 5 20 GABD CN(CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O 265292463 VKJXHDRQHNRNKY-UHFFFAOYSA-N 394.431 -1.119 5 20 GABD COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 468671073 XEUUNHJMJQGFSF-NSHDSACASA-N 392.324 -1.180 5 20 GABD NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801356214 LAXCDNQMIJMPSB-RNJOBUHISA-N 392.416 -1.319 5 20 GABD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)COCCO)C1 1845213094 DLBGUSIJWNWPSD-UHFFFAOYSA-N 394.384 -1.031 5 20 GABD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CC(N)=O)C(=O)C1 458054457 UVXWCXURWFWKAK-SNVBAGLBSA-N 381.393 -1.017 5 20 GABD O=C(NCC(=O)N1CCNCC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 577714258 FOSMCNAGWJQJEB-UHFFFAOYSA-N 391.384 -1.268 5 20 GABD C[C@@H](CN)N(C)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 419351105 OJNPXILHDZJMFD-JTQLQIEISA-N 387.418 -1.205 5 20 GABD CNS(=O)(=O)NCC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 566404433 RJPKLURVRJFNKA-UHFFFAOYSA-N 380.404 -1.462 5 20 GABD CNc1nccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[N+](=O)[O-] 567483710 ACYFBLUGTGWUAG-NEPJUHHUSA-N 399.429 -0.741 5 20 GABD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCNC1 577651764 PXFFNBIGTXPJPY-JTQLQIEISA-N 385.402 -1.533 5 20 GABD CN(CC(=O)NCCC(=O)NC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 268180165 LFJAEWSMFUYQPL-UHFFFAOYSA-N 387.374 -1.084 5 20 GABD CN(CCN)C(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 422986447 GVJACNFIAFJIBR-UHFFFAOYSA-N 399.429 -1.155 5 20 GABD O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 502706829 SQVSJYYXUXKIQU-OLZOCXBDSA-N 387.418 -1.205 5 20 GABD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n1 1794590631 IGGDDJZSMLDRMA-DOFRTFSJSA-N 390.360 -1.037 5 20 GABD COc1cc(S(=O)(=O)NC(=O)Cn2ccc(=O)n(C)c2=O)ccc1[N+](=O)[O-] 761425432 BDYVAPOXILEWFZ-UHFFFAOYSA-N 398.353 -1.031 5 20 GABD NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCN1 14300869 AMVXXNBESSALPT-GFCCVEGCSA-N 399.429 -1.121 5 20 GABD CCOC(=O)CNC(=O)[C@H]1COCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 497589548 SYWSHMGKZXYDBQ-QWHCGFSZSA-N 385.377 -1.468 5 20 GABD N[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 419157824 WSFIKDLKDJODMW-LLVKDONJSA-N 399.429 -1.061 5 20 GABD CN[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 419352351 PHNAFCGIHBBTPO-JTQLQIEISA-N 387.418 -1.287 5 20 GABD CN(CC(=O)NCCS(N)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 524588775 WCGOAXYTNIQCAO-UHFFFAOYSA-N 380.404 -1.380 5 20 GABD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1781248314 VIGKZRYJGUXUII-MEBBXXQBSA-N 380.361 -1.104 5 20 GABD NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005982 VPFSSPRSMSZXTL-CULMDFNYSA-N 394.388 -1.354 5 20 GABD O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830385050 DQPJSKKBGSSMEV-HNNXBMFYSA-N 385.329 -1.432 5 20 GABD CN[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 419176704 ZQSLURQIQVRPDG-JTQLQIEISA-N 387.418 -1.287 5 20 GABD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)N1 593421509 REJKADMUHXZADK-LLVKDONJSA-N 392.415 -1.319 5 20 GABD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009869 QAOTVADVWRQYQH-GUDRVLHUSA-N 380.361 -1.344 5 20 GABD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594760065 XSVJZIZDCAQTBK-UHFFFAOYSA-N 379.420 -1.415 5 20 GABD Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1339836214 BIPWCSRIGGRNFC-JTQLQIEISA-N 393.447 -1.033 5 20 GABD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 66048385 MGOZFDPCHALNFF-UHFFFAOYSA-N 392.372 -1.080 5 20 GABD O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1799338631 FDCOACPQQSNVCA-PEGIJTEDSA-N 383.361 -1.470 5 20 GABD CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834713149 CGQYQVLEISTQIF-HNNXBMFYSA-N 381.345 -1.023 5 20 GABD CN(CC(=O)N[C@@]1(C(N)=O)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 580784413 VKKQKRQSAQFPIP-AWEZNQCLSA-N 386.386 -1.024 5 20 GABD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1)C(O)O 1833221168 QHEJDQFZBIYPJM-UHFFFAOYSA-N 396.404 -1.186 5 20 GABD CN(CC(N)=O)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611627029 DUHPCVJZKMTHID-ONGXEEELSA-N 386.386 -1.338 5 20 GABD NC(=O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 503602207 KTKALWMIXKUPLK-GFCCVEGCSA-N 386.386 -1.024 5 20 GABD NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1802160129 YNOUBMZNATVFDR-WDAIWFPHSA-N 395.376 -1.951 5 20 GABD CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011107 PINQLRLQGYUZGY-DOFRTFSJSA-N 380.361 -1.391 5 20 GABD C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840021642 NAWWDJMTMBPQMH-LRDDRELGSA-N 397.388 -1.372 5 20 GABD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840023889 ICYWNLMHFWEGJY-BMIGLBTASA-N 383.361 -1.231 5 20 GABD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999392 NDBMHIYKEDFSOM-UHFFFAOYSA-N 375.349 -1.319 5 20 GABD CN1C(=O)CN(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 599176793 YNRVVLOFOZVQAH-UHFFFAOYSA-N 399.385 -1.117 5 20 GABD NC(=O)CN1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1=O 576123921 OLAADIOBAGEJCM-UHFFFAOYSA-N 389.368 -1.364 5 20 GABD NC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 274898339 HKYRYQJYQMMOSZ-LURJTMIESA-N 375.315 -1.027 5 20 GABD NC[C@H]1CCCN1C(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 419157895 WZOSYPFZCSYABX-GFCCVEGCSA-N 399.429 -1.061 5 20 GABD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799156 UJFMJPTZFKQFPJ-MEBBXXQBSA-N 383.361 -1.231 5 20 GABD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401586 PECOCMVKVCCZHX-AYMMMOKOSA-N 376.333 -1.047 5 20 GABD NS(=O)(=O)c1cccc(N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] 273489817 OWIHECSPRSHIDB-UHFFFAOYSA-N 396.389 -1.423 5 20 GABD C[C@@H]1CN(CCC(=O)O)CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1594512832 CEEUVKFLGUMYGK-LLVKDONJSA-N 382.377 -1.085 5 20 GABD O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 502706833 SQVSJYYXUXKIQU-STQMWFEESA-N 387.418 -1.205 5 20 GABD Cc1nc(N2CCN(CCO)CC2)nc(N2CCN(CCO)CC2)c1[N+](=O)[O-] 535628650 AGWGRZAMFMLKMA-UHFFFAOYSA-N 395.464 -1.078 5 20 GABD NCCn1cc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 569940826 GFYCEEOMPLHHNK-UHFFFAOYSA-N 383.390 -1.147 5 20 GABD CCn1cc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)c([N+](=O)[O-])n1 532853634 MIEPXDKCEGTJAM-VIFPVBQESA-N 388.406 -1.174 5 20 GABD CCn1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c([N+](=O)[O-])n1 532854389 HIWBRLNSHQAAMN-MRVPVSSYSA-N 375.363 -1.137 5 20 GABD CNc1nccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-] 567483713 ACYFBLUGTGWUAG-VXGBXAGGSA-N 399.429 -0.741 5 20 GABD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1779387504 VDVKWGKGYABYSQ-MMPTUQATSA-N 394.388 -1.516 5 20 GABD O=C(NC1CC1)C(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269064422 WKQFRSKYMPGNCF-UHFFFAOYSA-N 379.377 -1.076 5 20 GABD C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 419158095 XLQQLQLTKQVMFW-LLVKDONJSA-N 399.429 -1.190 5 20 GABD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800285025 QWCDZSGNFXPSJN-MCYUEQNJSA-N 394.384 -1.273 5 20 GABD O=C(COCCO)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779387390 SMCBZSBGCCETBA-OAHLLOKOSA-N 383.361 -1.230 5 20 GABD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)ncc1[N+](=O)[O-] 1796338244 LITFVAMMWRGRED-OXIQGZBJSA-N 392.416 -1.213 5 20 GABD NC(=O)CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O 458044385 LUGQYUGTGUBOIG-UHFFFAOYSA-N 389.324 -1.653 5 20 GABD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 848787760 SSHCLIZCZIMRAI-UHFFFAOYSA-N 394.388 -1.039 5 20 GABD CN[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 419131696 CTKYARUIFRBOPS-LLVKDONJSA-N 399.429 -1.190 5 20 GABD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)c1nc[nH]c1[N+](=O)[O-] 1796404628 QVBRWGOMMPKSKS-PEGIJTEDSA-N 383.361 -1.470 5 20 GABD N[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 419145332 AEADQYXXHJGKIG-SNVBAGLBSA-N 385.402 -1.451 5 20 GABD COCCNCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591424762 XAGARQYCOHHHEI-UHFFFAOYSA-N 380.405 -1.009 5 20 GABD O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 1116351122 ZOUZRQVOXJWCIP-HZSPNIEDSA-N 389.434 -1.760 5 20 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5 20 GABD C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1N 419173739 UCZLIVBTTUKANF-ZWNOBZJWSA-N 399.429 -1.205 5 20 GABD NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCN1 14300868 AMVXXNBESSALPT-LBPRGKRZSA-N 399.429 -1.121 5 20 GABD C[C@@H]1CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N 419154692 SAHIXANFURBXEJ-ZWNOBZJWSA-N 399.429 -1.205 5 20 GABD CS(=O)(=O)NCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 518650661 URVQWQAEAXSEBS-UHFFFAOYSA-N 394.431 -1.071 5 20 GABD CN(C)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 543291688 UPCNCZVODXQVSR-UHFFFAOYSA-N 394.431 -1.119 5 20 GABD N[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 419172116 QNYRJPOQQMIUGO-NSHDSACASA-N 399.429 -1.061 5 20 GABD N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O 571538206 PADDEIQWTYNARD-TZMCWYRMSA-N 391.384 -1.140 5 20 GABD NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1842943840 KWRDXWRGVCLPHE-LBPRGKRZSA-N 393.404 -1.413 5 20 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