smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 277176013 MZWIHOADFANDLZ-UHFFFAOYSA-N 384.411 -0.155 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1C[C@@H]2CC[C@H](C1)O2 456210077 XYHDOXZWOJHKMU-BETUJISGSA-N 398.441 -0.148 5 20 GBBD Cn1cc([C@@H](CO)NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 481830214 ODXYRJWBJUHXTE-CQSZACIVSA-N 376.373 -0.023 5 20 GBBD O=C(CN1CCOCC1)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 507754798 ZECPLZZURKWYIB-UHFFFAOYSA-N 379.417 -0.767 5 20 GBBD O=C([C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1)N1CCNCC1 517741807 YLRIEWFSZAZYQI-GFCCVEGCSA-N 383.430 -0.178 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 592910279 SUOOQOHNUJTIBA-RYUDHWBXSA-N 395.368 -0.284 5 20 GBBD COC(=O)CN(CC(=O)OC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 728560981 OMXBTUCRSVJTMA-UHFFFAOYSA-N 394.340 -0.031 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cn(C)c(=O)n(C)c1=O 735155675 VGPGBRSZJZVFJC-UHFFFAOYSA-N 392.324 -0.204 5 20 GBBD CCNS(=O)(=O)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 777939163 QHHIZRXRSJHMOE-UHFFFAOYSA-N 385.395 -0.040 5 20 GBBD COc1cc(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 800954719 HFTTVTBEAWRDQY-UHFFFAOYSA-N 379.416 -0.038 5 20 GBBD CNC(=O)CN1CCN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)CC1 915663395 MBNPNVRWCIRCCD-UHFFFAOYSA-N 394.384 -0.315 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ccc(F)cn2)CC1 1323904108 DHVGYCBCWYZTCM-UHFFFAOYSA-N 391.363 -0.210 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 1326612493 RYZSRFIGVYLZGY-SECBINFHSA-N 392.294 -0.813 5 20 GBBD CC1(C)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C[C@H](CO)O1 1590106955 NONHOFYWZQVTIJ-SNVBAGLBSA-N 398.401 -0.065 5 20 GBBD Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCO3)cc1[N+](=O)[O-] 1781303154 SCXRRIYZEFDHIC-SFHVURJKSA-N 393.396 -0.414 5 20 GBBD C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786784853 WCONKNSWQTUAFO-ZPFDUUQYSA-N 380.405 -0.494 5 20 GBBD CC[C@@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793395761 RHUVDXZCGQVKCC-CJWQTGLVSA-N 395.416 -0.072 5 20 GBBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)n1cncn1 1842000892 YIGGKGMRTYMAIP-LBPRGKRZSA-N 388.388 -0.153 5 20 GBBD CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843390264 GTROZOZWJWQRKE-UHFFFAOYSA-N 395.445 -0.381 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 264964116 BQXPIGOHNTXMGM-VIFPVBQESA-N 393.331 -0.245 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 273913932 AXGNWYUCVHCVMF-LBPRGKRZSA-N 392.411 -0.136 5 20 GBBD CN1CCN(C(=O)CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 274541146 UMRAUVUGTVTCEO-UHFFFAOYSA-N 377.401 -0.395 5 20 GBBD COc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)c([N+](=O)[O-])c1 275032080 UGKXJULEQDUXDM-SECBINFHSA-N 387.370 -0.185 5 20 GBBD C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 288646936 XEMNHVDXQDGSHX-VHSXEESVSA-N 379.373 -0.323 5 20 GBBD CC(C)NC(=O)CN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 299206304 JWWYMOZGXLKQJZ-UHFFFAOYSA-N 391.428 -0.007 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 461626201 BDPPZPOAEBDECG-SNVBAGLBSA-N 388.402 -0.200 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 531534201 HOULTMNIAFSOIH-UHFFFAOYSA-N 383.386 -0.198 5 20 GBBD CS(=O)(=O)NCCC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 573571281 STSZUQMJWYUKEF-UHFFFAOYSA-N 382.402 0.005 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 598032301 ZMMAGCCQSAACRL-STQMWFEESA-N 385.398 -0.357 5 20 GBBD CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nc1 600667040 QITIXOXPHJCWPW-UHFFFAOYSA-N 390.403 -0.226 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 610590017 PWILOVDSMVEIQR-YMTOWFKASA-N 383.386 -0.011 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 612668951 NGZPIUJBJBCWGR-UHFFFAOYSA-N 392.459 -0.151 5 20 GBBD COc1ccc(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 619751815 FWLCQZKFRZLKNA-UHFFFAOYSA-N 379.416 -0.038 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NS(=O)(=O)N1CCOCC1 750731593 MRUOSYDICXAVME-UHFFFAOYSA-N 386.386 -0.592 5 20 GBBD COCC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826154186 KCGREWWTBHFVDC-CYBMUJFWSA-N 386.390 -0.159 5 20 GBBD NS(=O)(=O)c1ccc(NCCS(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 853243836 WSBCHDSTWPDSRX-UHFFFAOYSA-N 394.431 -0.684 5 20 GBBD Cn1cc(CCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 1321340629 OQGUUXCESSENFO-UHFFFAOYSA-N 387.400 -0.269 5 20 GBBD COC(=O)NCC(=O)NCCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1591274759 LNOLPLIHCKTWMU-UHFFFAOYSA-N 378.349 -0.317 5 20 GBBD O=C1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)CN1 1783155931 FLOARYIZKHEFTN-APPDUMDISA-N 392.368 -0.233 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCOCC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011118 PYVRTMWPQYFSMQ-DABQJJPHSA-N 393.400 -0.052 5 20 GBBD CN(C)CC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842679904 FEAYRNAHCRFHIA-UHFFFAOYSA-N 377.401 -0.479 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 265098791 WMARWMYGLSMKGQ-UHFFFAOYSA-N 376.373 -0.022 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccn(CC(=O)N2CCOCC2)n1 265294700 NFURKXNIXGSVCY-UHFFFAOYSA-N 377.361 -0.125 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 288640379 QGMMFUPXUYDDFO-CYBMUJFWSA-N 398.803 -0.120 5 20 GBBD COC(=O)C1(NC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CCCCC1 298775262 IXPLVUXBXZHROI-UHFFFAOYSA-N 380.357 -0.153 5 20 GBBD O=C1[C@H]2[C@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 349416287 HLXIRPYMBIGXAT-DGCLKSJQSA-N 398.397 -0.339 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 411419052 GIGOZUPONJBOFI-GFCCVEGCSA-N 375.341 -0.087 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472616139 AOPWELHFGQNFOR-GFCCVEGCSA-N 395.347 -0.474 5 20 GBBD COC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)OC 484471401 WKHJVURTZNCIPE-SNVBAGLBSA-N 375.359 -0.532 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(O)CCSC1 498162745 PEBAXTYPULXAJG-ZDUSSCGKSA-N 375.428 -0.143 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CS(=O)(=O)CCO1 509607036 FECXKOJGJWQNTM-QWRGUYRKSA-N 389.434 -0.243 5 20 GBBD CC(C)N1C(=O)C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 537285862 YGSAUMAQVUNOLX-SNVBAGLBSA-N 398.397 -0.475 5 20 GBBD CNc1nccc(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c1[N+](=O)[O-] 553425482 QNOARFQSNDLYMX-UHFFFAOYSA-N 378.389 -0.158 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H](CO)CCF 593348740 NVIARFQORDNUKQ-JTQLQIEISA-N 378.382 -0.107 5 20 GBBD O=C(CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)O[C@@H]1CCNC1=O 769964258 INKFWSSUZWMABB-SNVBAGLBSA-N 377.762 -0.042 5 20 GBBD CC(C)CN1N=C(C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1=O 861326571 KSLRBJAUJNOARB-UHFFFAOYSA-N 386.390 -0.232 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] 1261648041 QBEMEZGJXXPRMM-UHFFFAOYSA-N 399.429 -0.184 5 20 GBBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NN1CCS(=O)(=O)CC1 1331806205 FDIWLBYZHIIAHV-UHFFFAOYSA-N 390.805 -0.260 5 20 GBBD O=C1OC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@@H]12 1593413104 JCIYTUKMXHBXSU-HTQZYQBOSA-N 380.342 -0.432 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 1601854608 QXIYIHGCJYIPER-ZDUSSCGKSA-N 383.382 -0.333 5 20 GBBD O=C(c1cccnn1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779461966 ZUTHRSCYYPCPQI-INIZCTEOSA-N 387.356 -0.135 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)c1ccc(O)c([N+](=O)[O-])c1 1790021738 JTXLDSOEEDCLQN-MJVIPROJSA-N 395.368 -0.796 5 20 GBBD CN1CCN(C(=O)CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 265140348 VOLRMHWSTUILDP-UHFFFAOYSA-N 391.428 -0.005 5 20 GBBD Cn1cc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O 293909061 FWBAWQLUOPYBSJ-UHFFFAOYSA-N 387.396 -0.050 5 20 GBBD COC(=O)[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 416206781 WGSFDDCCXSQNBC-CQSZACIVSA-N 389.386 -0.697 5 20 GBBD CN1CCO[C@H](C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 421971389 ATBVZMCKDNCWBY-AWEZNQCLSA-N 386.430 -0.338 5 20 GBBD COc1cccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] 444143499 QCVZOHYJISEWGA-UHFFFAOYSA-N 375.345 -0.426 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])CC1 543765859 SDIYRIWGJSCXLT-ZDUSSCGKSA-N 392.416 -0.192 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc([N+](=O)[O-])n1C 598910813 OPIILFYKNWKIEA-WPRPVWTQSA-N 379.329 -0.759 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC(NS(C)(=O)=O)C1 619751849 KJMOXJPYOAHSLS-UHFFFAOYSA-N 379.416 -0.038 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 750052872 QFLZHLUXDMNVPE-HNNXBMFYSA-N 390.396 -0.079 5 20 GBBD COC(=O)CCS(=O)(=O)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 842360195 YWEPRWKTINHWIF-UHFFFAOYSA-N 387.370 -0.276 5 20 GBBD O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(n2cnnn2)CCOCC1 850730275 AEGMQDRZYUPPBL-UHFFFAOYSA-N 382.358 -0.408 5 20 GBBD O=C(NC[C@H]1COCO1)c1cc(C(=O)NC[C@H]2COCO2)cc([N+](=O)[O-])c1 861977388 GNSRJJJTPZXKJQ-KBPBESRZSA-N 381.341 -0.200 5 20 GBBD O=C(c1cc(CO)on1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000133 QMAFTVVATDPBJN-UHFFFAOYSA-N 390.356 -0.211 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824964 AKRLZLATWWVFJZ-GFCCVEGCSA-N 391.384 -0.906 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 272251590 YKGXAGZMTCJBAB-VIFPVBQESA-N 386.386 -0.031 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)Nn2cn[nH]c2=O)cc1[N+](=O)[O-] 290520745 ZNRFEBCBJXSXMY-UHFFFAOYSA-N 399.389 -0.652 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 291798997 WYTPOIYPAXSYFV-UHFFFAOYSA-N 384.370 -0.802 5 20 GBBD O=C1CNC(=O)N1CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298306861 NKIMINSKQQFFTK-UHFFFAOYSA-N 397.413 -0.547 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 374848233 VAWCMTRBSUPUAB-SECBINFHSA-N 387.356 -0.513 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](C(=O)NCCN)C1 415373952 USJRJTWLGFHBEY-NSHDSACASA-N 393.400 -0.145 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H](N1CCNCC1)C(F)(F)F 417910674 LOSINNVJWVEUAH-LLVKDONJSA-N 379.343 -0.073 5 20 GBBD COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 444436869 NIXXADDRNDIVDH-WBMJQRKESA-N 393.352 -0.155 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](CO)[C@H]1CCCO1 468672597 YRLAUIQOFQQTMC-ZIAGYGMSSA-N 387.414 -0.081 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[S@@](=O)C1 475139282 OUOAZVAKQWZETP-CCGUKBGLSA-N 390.443 -0.307 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)N2CCC(C(=O)OC)CC2)n1 755762185 LWFXBLIRJNITIA-UHFFFAOYSA-N 389.390 -0.329 5 20 GBBD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCCn1cc([N+](=O)[O-])ccc1=O 761409864 WBESAKANQDLMNN-FIXIBIHLSA-N 391.336 -0.538 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851329354 JDYKIGWHAWSPEU-UHFFFAOYSA-N 382.358 -0.811 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 915213539 AXWYVFZBIXOSHG-UHFFFAOYSA-N 393.447 -0.829 5 20 GBBD COC1CCN(C(C)(C)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1322576520 PLIIYCSORHNDHE-UHFFFAOYSA-N 396.448 -0.087 5 20 GBBD COCCOC1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1348329845 WCCZQBDHKVIFSL-UHFFFAOYSA-N 393.400 -0.488 5 20 GBBD C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC[C@@H](C)[N+](=O)[O-] 1589976615 KGCVSJGUXUKMLZ-RKDXNWHRSA-N 384.374 -0.258 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1 1593473906 GHNGUCQPHHYLHR-UISBYWKRSA-N 396.385 -0.143 5 20 GBBD O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C[C@@H]32)C1 1792162810 MHNJVKGIDWBLFW-WFBYXXMGSA-N 391.384 -0.110 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800146383 QVBCJZVGYZNYJW-CLLJXQQHSA-N 381.389 -0.562 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)[C@H]1CCCOC1 1802072043 ITTUKCDEPYNVLJ-RVMXOQNASA-N 393.400 -0.052 5 20 GBBD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828431 QXVKUMGDXJNUAC-BDJLRTHQSA-N 382.373 -0.626 5 20 GBBD CNC(=O)CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 264905610 LMFKHQVWUBORKJ-CYBMUJFWSA-N 384.414 -0.048 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 265552425 JYSVLSOTDTUCBU-LLVKDONJSA-N 390.352 -0.446 5 20 GBBD COC(=O)[C@@]1(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCOC1 273061700 LNLWCESVYDLWPM-MRXNPFEDSA-N 381.341 -0.219 5 20 GBBD CS(=O)(=O)CCS(=O)(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 275369555 YNQJOJIPFCNLDG-LLVKDONJSA-N 380.400 -0.446 5 20 GBBD CNS(=O)(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 280922507 GEXWBLOQYBEXSS-UHFFFAOYSA-N 393.447 -0.735 5 20 GBBD NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 286450851 OCQCQUSOMSBGHH-LLVKDONJSA-N 394.203 -0.032 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] 290602233 JLZMLSCABADEKG-GXSJLCMTSA-N 385.398 -0.118 5 20 GBBD NC(=O)c1cn(C2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C2)nn1 374835577 DJJMSYAXJZROPS-UHFFFAOYSA-N 380.386 -0.286 5 20 GBBD O=C(CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)NCCN1CCOCC1 489449068 CMDIKHPESXEJOO-UHFFFAOYSA-N 380.357 -0.498 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C(=O)O)[C@@H](O)Cc2ccccc2)n1 600653544 LAIZSYYPRFMMJV-RYUDHWBXSA-N 384.370 -0.337 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCCN1C(=O)CNC1=O 733374835 STDYLSHHPIQJIY-UHFFFAOYSA-N 390.308 -0.324 5 20 GBBD NC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1I 804356664 MPWGMWUNZIPYIJ-QMMMGPOBSA-N 379.110 -0.225 5 20 GBBD CS(=O)(=O)NC[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 821937869 RVSWHZAFGWEPIX-SECBINFHSA-N 382.406 -0.065 5 20 GBBD CCN(C(=O)[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 913301713 WWRRZQYLJBFBKQ-GHMZBOCLSA-N 388.402 -0.241 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@@H](C(=O)NCCC(=O)O)CS[C@@H]1C 1600720719 VUUVWDRFSCTEJN-NXEZZACHSA-N 385.402 -0.019 5 20 GBBD COc1cc(C(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)ccc1[N+](=O)[O-] 1842885005 OLHHXGVAFREJKB-UHFFFAOYSA-N 390.400 -0.097 5 20 GBBD O=C1CCCN1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848162428 XPQWNPDZYDGJRE-KBPBESRZSA-N 390.400 -0.385 5 20 GBBD CN1CC(=O)N(CC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1=O 16118002 OJDODURRPUNZDE-UHFFFAOYSA-N 376.325 -0.079 5 20 GBBD CCS(=O)(=O)NCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 24788727 STTYPDXGOVJASH-UHFFFAOYSA-N 386.386 -0.624 5 20 GBBD CN(CC(=O)NCCCN1CCNCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 262514010 QMHNEYFUVILSCB-UHFFFAOYSA-N 399.473 -0.373 5 20 GBBD NC(=O)CSCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 265371054 GCUUDUIJWKGXLO-UHFFFAOYSA-N 376.416 -0.792 5 20 GBBD Cc1cc(=O)c(C(=O)NCCOCC(N)=O)nn1-c1ccccc1[N+](=O)[O-] 268581790 YIERTGFZRIUGOE-UHFFFAOYSA-N 375.341 -0.319 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 272271477 YKCWSSLAFLOIFH-UHFFFAOYSA-N 394.384 -0.156 5 20 GBBD CNS(=O)(=O)CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 275825239 BNXUEHHRHSLFMS-UHFFFAOYSA-N 386.386 -0.052 5 20 GBBD C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 297691627 HPXDDVVMHVZIIM-UONOGXRCSA-N 394.428 -0.166 5 20 GBBD COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)OC 298129387 GJGSATODASPRFE-LLVKDONJSA-N 381.341 -0.146 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCNS(=O)(=O)N(C)C)c1 451534290 XTGCPYONJOMPLE-UHFFFAOYSA-N 380.448 -0.114 5 20 GBBD COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 500332347 NYDMEMUAOCPFNQ-LBPRGKRZSA-N 378.341 -0.187 5 20 GBBD CN(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O 571939056 NGLMEFCWBZWVLO-KBPBESRZSA-N 386.430 -0.604 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 600324050 BLZKTJPLHIIGSD-UHFFFAOYSA-N 377.400 -0.628 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 857727178 UROPEQKWSWFRBO-CABZTGNLSA-N 391.340 -0.515 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 1323939082 BBSCHAAESOBAOZ-GFCCVEGCSA-N 385.398 -0.135 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 1325943374 XRIATXLPRQAENB-SECBINFHSA-N 378.311 -0.340 5 20 GBBD C[C@](O)(CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C(=O)O 1593396045 FRAQGGVIYSEBPH-HNNXBMFYSA-N 387.414 -0.044 5 20 GBBD O=C(Cc1cc[nH]n1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1782791680 SLWZUKPMWPSFGL-INIZCTEOSA-N 389.372 -0.273 5 20 GBBD O=C(c1cc(O)n[nH]1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999400 OHCSEBPHMJLNHM-UHFFFAOYSA-N 375.345 -0.263 5 20 GBBD CN1C[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 116668399 MPYZQFWOLNHLJM-VIFPVBQESA-N 385.402 -0.609 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN2C(=O)NC[C@@H]2C1 267633631 JYTXHZIQSFOSEX-LLVKDONJSA-N 385.402 -0.010 5 20 GBBD CN1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 267716510 SROPVAXVIKVFKG-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1COC[C@H]1O 287190008 HDCNVDIDOYOQHS-CHWSQXEVSA-N 388.402 -0.738 5 20 GBBD COc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] 299627836 QFNWIFSLOZIDQX-OCCSQVGLSA-N 399.425 -0.169 5 20 GBBD CNS(=O)(=O)c1ccc(N2CC[C@@H](S(=O)(=O)NC)C2)c([N+](=O)[O-])c1 372739924 JUXHJLGFKOONEV-SNVBAGLBSA-N 378.432 -0.369 5 20 GBBD NC(=O)C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 376697007 SGAACHOQFAAFKG-LLVKDONJSA-N 399.429 -0.220 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(CC(N)=O)C(=O)C1 459713904 XQVOBXZBPRDNEN-JTQLQIEISA-N 379.373 -0.440 5 20 GBBD NS(=O)(=O)CCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 471040560 JXNFEMOVXJOSRM-CQSZACIVSA-N 388.446 -0.759 5 20 GBBD C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1C 507216446 ZCDSZADHVCGMIY-NSHDSACASA-N 399.429 -0.255 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](C(=O)NCCN)C2)ccc1[N+](=O)[O-] 577176277 JVUFMHAVSZZPGY-CQSZACIVSA-N 391.428 -0.053 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=NN2CCCN=C2N1 597501490 VXQWIRUKNNSZHO-UHFFFAOYSA-N 380.386 -0.537 5 20 GBBD CS(=O)(=O)NCCNC(=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 727064802 GAAURDNRHHZONK-UHFFFAOYSA-N 378.392 -0.157 5 20 GBBD C[C@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 733566320 CTPCTZIYHGVJAE-QMMMGPOBSA-N 378.297 -0.114 5 20 GBBD C[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748134383 PHHMSNNPIWLWII-XTAFZBPGSA-N 378.341 -0.115 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ncc1Br 846657098 UYEJBYGBPIDPDL-UHFFFAOYSA-N 396.223 -0.122 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cnc1N 854380897 GKRLFFSABJKEOB-LLVKDONJSA-N 381.345 -0.908 5 20 GBBD CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1118454688 APELQTOKIDIWDP-UHFFFAOYSA-N 376.377 -0.258 5 20 GBBD C/C(=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2)C(=O)O 1785415336 TYRCTEBYABWOFJ-DIEDAUMRSA-N 393.356 -0.208 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)[C@@H]1CCOC1 265577261 XOWSWVWWDHOHHS-SNVBAGLBSA-N 379.416 -0.419 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 267861071 GUWKJRDEKNIPIY-UHFFFAOYSA-N 396.422 -0.671 5 20 GBBD CNC(=O)C1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 274575901 YKOPKUPTKAWISF-UHFFFAOYSA-N 378.341 -0.101 5 20 GBBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCNS(=O)(=O)N(C)C)cc1C 295901061 HASLPAOMNMEAEL-UHFFFAOYSA-N 380.448 -0.114 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCS(=O)(=O)CC1 298770666 ONDVGEYKSNQAKD-UHFFFAOYSA-N 398.441 -0.439 5 20 GBBD COC[C@@H]1C[C@H](O)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 413912005 YZRIUGNKJODXBE-STQMWFEESA-N 387.414 -0.129 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] 440383833 NYBPRQXSQOROMT-JTQLQIEISA-N 386.386 -0.179 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 446514284 KEXXFULOHRWMKF-LBPRGKRZSA-N 385.398 -0.150 5 20 GBBD C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 498494434 MOTRPDZXDORDCH-GFCCVEGCSA-N 393.400 -0.243 5 20 GBBD COCC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(N)=O 540484284 CZMWNKCZJRHWAH-MRVPVSSYSA-N 375.359 -0.465 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 577500105 PDZUSVFXEUGMOL-UHFFFAOYSA-N 386.434 -0.623 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 598030936 VNAQUFQPLPOEHB-MWLCHTKSSA-N 392.411 -0.460 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 599300852 YAELHJKBDAHCBV-BDAKNGLRSA-N 381.436 -0.676 5 20 GBBD O=C(NCc1nn[nH]n1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 609533095 WYZILTNQLQFMEO-SNVBAGLBSA-N 395.401 -0.175 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](O)C2)c(C)c([N+](=O)[O-])c1 617080124 LVTQEUAJGFQSII-PHIMTYICSA-N 381.341 -0.418 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC2CC(NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 619778718 QDRYCXZFVZCEQT-UHFFFAOYSA-N 384.414 -0.171 5 20 GBBD CNc1c(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)cccc1[N+](=O)[O-] 813946762 KUSOMNULPPIGKG-UHFFFAOYSA-N 385.402 -0.225 5 20 GBBD Cc1c(C(=O)NN2CCS(=O)(=O)CC2)nnn1-c1cccc([N+](=O)[O-])c1 862738174 MTDBNIMMDNQJBT-UHFFFAOYSA-N 380.386 -0.141 5 20 GBBD CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1795464334 UBYHABORGQQNOW-DDFAGTSDSA-N 379.373 -0.786 5 20 GBBD COCCN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 273015066 RWHUGNJCPLXWEV-AAEUAGOBSA-N 387.414 -0.177 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 288322816 UWRSOWJTZDMSNK-ZDUSSCGKSA-N 385.402 -0.400 5 20 GBBD COC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 298818057 ZERBYNHMBMCQFL-SECBINFHSA-N 382.358 -0.467 5 20 GBBD O=C1CN2C(=O)N(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2CN1 348609405 WJQQPYGKADFAEG-NSHDSACASA-N 382.354 -0.869 5 20 GBBD O=C(O)c1cn([C@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)nn1 584722392 HYORMGNKQOYGIP-JTQLQIEISA-N 376.329 -0.090 5 20 GBBD Cc1nn(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C)c1[N+](=O)[O-] 918179858 HRQKVEFFQSNPPZ-UHFFFAOYSA-N 378.389 -0.341 5 20 GBBD COC(=O)CCNC(=O)COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 920704155 IUGFZXDJOOYHTK-UHFFFAOYSA-N 388.354 -0.166 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1329474210 XGRCLYWVIIBOJS-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD Cn1ncc(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)n1 1592598545 MVBFZPHJQZIDTK-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1604742011 XIUKYPAMPNPFJQ-ZYHUDNBSSA-N 376.377 -0.220 5 20 GBBD COCCN(CCOC)C1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 1605101071 IWBDPZZBESMPBB-UHFFFAOYSA-N 378.393 -0.047 5 20 GBBD CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1786742631 JFJHCVFRBLQLKC-GVXVVHGQSA-N 393.400 -0.396 5 20 GBBD CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411945 WLRZGHUJGHYZNS-JTQLQIEISA-N 393.404 -0.158 5 20 GBBD C=CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412055 IDIGTLVDEZOYAY-SNVBAGLBSA-N 376.373 -0.174 5 20 GBBD Nc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] 9852659 BXVPWALVJZVBJI-UHFFFAOYSA-N 391.384 -0.680 5 20 GBBD CN(C)S(=O)(=O)CCC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273400818 MZLDUAYGAWUQME-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD Cn1nnnc1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 276743908 VHAAQETZNOUXTG-GFCCVEGCSA-N 395.401 -0.412 5 20 GBBD O=C(CN1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 279023059 GZEHEEFCMXUFDM-INIZCTEOSA-N 391.340 -0.064 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cnn(CC(=O)N2CCOCC2)c1 371113003 JHHMJATZIAAPFO-UHFFFAOYSA-N 377.361 -0.125 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 457236938 PKQUEZZEHTXGAS-JQWIXIFHSA-N 379.325 -0.545 5 20 GBBD CNc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] 471318085 CEQUDXUANACHJB-UONOGXRCSA-N 398.441 -0.448 5 20 GBBD CNc1nccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] 564737001 VRYHJGWQMXRHKU-NSHDSACASA-N 376.417 0.456 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)n1 599214633 ZXKJAAKBFZKENH-SECBINFHSA-N 381.436 -0.579 5 20 GBBD CN(CCc1ccccn1)C(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599231045 UCTCCIKNXPYGSZ-UHFFFAOYSA-N 382.402 -0.297 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 612029175 KYQGHGLLXKHZCJ-ZDUSSCGKSA-N 388.446 -0.242 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 619498280 YHMLIRXGNHLTDV-UHFFFAOYSA-N 379.416 -0.227 5 20 GBBD COC(=O)CNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 911517229 ZGEAEKNYXKDWIY-SNVBAGLBSA-N 381.341 -0.146 5 20 GBBD O=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)CN1 1783166643 ZOHJJNGQVCIZRK-PIGZYNQJSA-N 391.384 -0.498 5 20 GBBD COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795132296 AKRKXFWTAGWSFJ-DDFAGTSDSA-N 395.372 -0.526 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404050 CLLYGJQPPMCKMT-WISYIIOYSA-N 379.373 -0.442 5 20 GBBD O=C1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1 1798747834 QMUIAOKJMNLHDW-ZVXAKGHKSA-N 391.384 -0.738 5 20 GBBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1)c1n[nH]cc1[N+](=O)[O-] 1819654703 VQMNOFBBUBHGNU-MRVPVSSYSA-N 379.333 -0.342 5 20 GBBD Cc1nnc(CC(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)o1 1843044036 JPLSACIAXFYBOT-UHFFFAOYSA-N 389.372 -0.071 5 20 GBBD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CN1 1845996592 PHGPJKYYSMWPKA-LLVKDONJSA-N 376.373 -0.869 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNS(=O)(=O)NC(C)C 276970065 DMZJBMIKYXIBJU-UHFFFAOYSA-N 396.447 -0.286 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 280670935 UEFLHYIYYUADLN-RYUDHWBXSA-N 386.386 -0.978 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](CO)O1 410978572 LNVJSWUENSSQDA-QWHCGFSZSA-N 393.400 -0.753 5 20 GBBD N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 419860583 LCGXGSSKBOQJTE-OAHLLOKOSA-N 389.412 -0.267 5 20 GBBD CNC[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419949209 KVUPNEAMDZNIPX-LLVKDONJSA-N 397.457 -0.088 5 20 GBBD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 487118863 MOQJQZDYMHQXCS-WDEREUQCSA-N 394.384 -0.103 5 20 GBBD O=C1CN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1 510941166 KJYAPLBJPXFKAJ-NSHDSACASA-N 395.441 -0.191 5 20 GBBD CCn1cc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])n1 533179414 LHYBJISAPYRNEA-UHFFFAOYSA-N 381.436 -0.487 5 20 GBBD NS(=O)(=O)C1(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 577183798 CDWCFJYOLLISST-UHFFFAOYSA-N 382.398 -0.300 5 20 GBBD O=C1CO[C@H]2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3[N+](=O)[O-])C[C@@H]2N1 583816207 PMPWFTNBCWBGFD-ONGXEEELSA-N 385.354 -0.429 5 20 GBBD Cc1nn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n1C 593985207 RZRGEYOBFAWNIA-UHFFFAOYSA-N 388.384 -0.217 5 20 GBBD Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN(CC(N)=O)C(=O)C2)c1 841541740 CKRHIJRPEOLWKJ-UHFFFAOYSA-N 390.805 -0.125 5 20 GBBD NC[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)=NO1 852802222 DWDZFFCAHDBCLI-NSHDSACASA-N 397.413 -0.469 5 20 GBBD O=C(C(=O)N1CCC[C@H]1CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1117903036 STAZRGLMJXNALL-NSHDSACASA-N 396.425 -0.076 5 20 GBBD O=C(CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1)NC1CC1 1344962383 JZJZYJBHDNBTSU-UHFFFAOYSA-N 389.412 -0.366 5 20 GBBD CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830519045 LMBGOZDHJYQINY-BZNIZROVSA-N 397.388 -0.841 5 20 GBBD NC[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc([N+](=O)[O-])ccc1F 1848055990 HWAKFDNRJANIEX-KKUMJFAQSA-N 379.392 -0.236 5 20 GBBD CS(=O)(=O)N1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 45335300 FYMSUQLZNBWCOJ-UHFFFAOYSA-N 384.414 -0.182 5 20 GBBD CCN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C(=O)C1=O 52615529 NAWMBAAAECLMPU-UHFFFAOYSA-N 390.400 -0.671 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CNC[C@@H]21 417279778 JFYSDBUKYWWRKS-RISCZKNCSA-N 383.430 -0.124 5 20 GBBD O=C(C(=O)N1C[C@H]2CCNC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423591663 KPCDBSNPWWBNGM-KGLIPLIRSA-N 388.428 -0.294 5 20 GBBD Cc1c(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cccc1[N+](=O)[O-] 437261331 YIBRMTBNYRBMSJ-UHFFFAOYSA-N 380.401 -0.005 5 20 GBBD CO[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O 456365735 HOVPHEVWRDVJHM-RRFJBIMHSA-N 399.425 -0.034 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)cc1 514801330 YLJIPPLRCNEHIP-UHFFFAOYSA-N 380.386 -0.072 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)CN2CC(=O)NC2=O)c([N+](=O)[O-])c1 521165549 ZHXMOGIBALUMGD-UHFFFAOYSA-N 399.385 -0.922 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 539579298 DYPMJNAWZOWUAD-UHFFFAOYSA-N 380.357 -0.692 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@]1(O)CCCOC1 593881867 YDMOXZRKFVNIBD-OAHLLOKOSA-N 387.414 -0.079 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2nccnn2)CC1 600182911 AYECWHXLAGXZTR-UHFFFAOYSA-N 397.351 -0.275 5 20 GBBD COC(=O)C[C@H](O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 600470259 SPCPOTGKJIVNFT-NSHDSACASA-N 389.386 -0.697 5 20 GBBD CCn1cc(S(=O)(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 611105980 QATCQPOIYLXVJB-JTQLQIEISA-N 395.463 -0.096 5 20 GBBD CN1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O 613865281 WWWJSSFPISDENA-AWEZNQCLSA-N 396.425 -0.094 5 20 GBBD O=C(CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 768804142 AUOYPTXHCACZAQ-MRVPVSSYSA-N 397.456 -0.372 5 20 GBBD NS(=O)(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 822894773 FXWBGHJFVIRYBR-UHFFFAOYSA-N 382.406 -0.815 5 20 GBBD CN1CCN(C(=O)CCNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1323045556 YJLYVQBABSLFMQ-UHFFFAOYSA-N 377.401 -0.509 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779865624 HQOBXFFVVAQJCA-HNNXBMFYSA-N 391.344 -0.682 5 20 GBBD Cn1cnc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 265261168 CRKINVGDBYACKC-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@@H]2C1 268951240 QLMMAGFPEPLENT-GFCCVEGCSA-N 391.384 -0.425 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc[nH]n3)CC2)cc1[N+](=O)[O-] 269421319 IZTHNWZWLUZOGS-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD NS(=O)(=O)c1cccc(NCCN2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 273478665 MAAISBSKXFXTNM-UHFFFAOYSA-N 378.432 -0.616 5 20 GBBD O=C(O)C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 274875216 BQASBGDGRXGQNL-LURJTMIESA-N 376.299 -0.428 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 275081558 ITOZAQXVUBJVFU-VIFPVBQESA-N 378.384 -0.143 5 20 GBBD CCN1C(=O)[C@@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 369473095 VMKFSWCUQMIGFU-ZDUSSCGKSA-N 389.368 -0.181 5 20 GBBD CN1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 498085680 YSSDHHJERXFGCX-OAHLLOKOSA-N 398.441 -0.242 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(CCO)CC1 517950345 ZBUZYHVRCGYNTJ-UHFFFAOYSA-N 386.430 -0.600 5 20 GBBD CNS(=O)(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 569022344 DPBUBYCDOBKQBU-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599291880 UOZIBFYKKCQWIA-JGVFFNPUSA-N 377.379 -0.937 5 20 GBBD O=C(NC[C@@H]1COCCN1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 599963122 ZBNSGZUCCPBUBY-CYBMUJFWSA-N 377.401 -0.652 5 20 GBBD CNS(=O)(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 600665089 IDJHTZWDWWPDFT-UHFFFAOYSA-N 379.416 -0.333 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 617350379 PYVOXDJJRHODFJ-UHFFFAOYSA-N 386.430 -0.090 5 20 GBBD Nc1cc(Cl)c(S(=O)(=O)NC(=O)CN2CCOCC2=O)cc1[N+](=O)[O-] 790782957 FKCSOZAPHNEIOT-UHFFFAOYSA-N 392.777 -0.506 5 20 GBBD O=C1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 815122616 ZZBWKOYJGHMNLI-NSHDSACASA-N 384.414 -0.094 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1326410468 STMACVQBPQUHOY-OCCSQVGLSA-N 379.369 -0.364 5 20 GBBD C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783363633 KZMIOWDROCGIBZ-MNXVOIDGSA-N 394.384 -0.084 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784712134 LYEPJDNYFJPQCM-SUMWQHHRSA-N 393.400 -0.342 5 20 GBBD N=C1NCCN1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798685714 BNVKRWLAJKWBGG-JGPRNRPPSA-N 390.404 -0.590 5 20 GBBD NCC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 261995429 TYOHKCZHVKYHKM-UHFFFAOYSA-N 386.430 -0.255 5 20 GBBD O=C(C[C@@H]1COCCN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262058255 IFORSSWVPYOYBC-CYBMUJFWSA-N 398.441 -0.194 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NCCCN2CCNC(=O)C2)cc([N+](=O)[O-])c1 269948295 UJNAIIWLTMHPHP-UHFFFAOYSA-N 384.414 -0.450 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 275100613 LNMIBVQSDPXNDU-SECBINFHSA-N 394.383 -0.524 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@H]2C(N)=O)cc1[N+](=O)[O-] 275160275 SZRKXTIWMUWWMZ-KWQFWETISA-N 387.370 -0.057 5 20 GBBD C[C@@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC(=O)N1 295854775 XVJPSSRDJUMVHB-LLVKDONJSA-N 385.446 -0.241 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NCCOCCO)c([N+](=O)[O-])c1 298203015 LMMXVESVOJTPER-UHFFFAOYSA-N 376.435 -0.145 5 20 GBBD CCN1CCOC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 367741961 WWYAGUGZPVHXMP-ZDUSSCGKSA-N 386.430 -0.290 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H](O)C(F)F 489606671 QUDSCZDWJNQXSY-SECBINFHSA-N 382.345 -0.202 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 516665314 ZHICRWYUONCSRY-DGCLKSJQSA-N 395.803 -0.365 5 20 GBBD COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1=O 552360934 YYWJZQUGCPGOFM-LBPRGKRZSA-N 381.389 -0.396 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCS(=O)(=O)NC[C@H]2CCCCO2)c1 572029710 ZCCZWTITJODFET-ZIAGYGMSSA-N 391.450 -0.770 5 20 GBBD COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c([N+](=O)[O-])c1 594827091 RMFHRTMHDFDKGU-MWLCHTKSSA-N 380.400 -0.306 5 20 GBBD CN(CCOCCN)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 599909980 IIHNMMYMLQURFT-UHFFFAOYSA-N 389.434 -0.510 5 20 GBBD CN1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 613865149 AFXHUFVMJCHLSE-GFCCVEGCSA-N 396.425 -0.094 5 20 GBBD C[C@H](NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C 918838762 FXQBDEFACBRUGP-JTQLQIEISA-N 380.357 -0.539 5 20 GBBD O=C(NCC(=O)N1CCNCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 1325404972 GEQKCLIUPAZTNU-UHFFFAOYSA-N 383.792 -0.588 5 20 GBBD COC(=O)N1CC(NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1348749725 SKHIVPLFUZTQOD-UHFFFAOYSA-N 392.372 -0.795 5 20 GBBD CCN1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1=O 1604340948 PHLYLCHBXDXNEX-JTQLQIEISA-N 381.374 -0.326 5 20 GBBD CN(CCN1CCNCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1609275910 USZZLIYDPZNJHQ-UHFFFAOYSA-N 396.433 -0.699 5 20 GBBD O=C(c1nc[nH]n1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416003 URURNEDFTIANNF-OAHLLOKOSA-N 375.345 -0.202 5 20 GBBD C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1789877346 AZYOSYKEECRNRU-RHYQMDGZSA-N 394.388 -0.954 5 20 GBBD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CCN1 1846422247 LFARCAKXNKISHX-JTQLQIEISA-N 376.373 -0.339 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847168991 XRAWOPJIEICPNT-VWYCJHECSA-N 379.373 -0.404 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 283456158 FJRYMVDNDLTZAE-UHFFFAOYSA-N 392.459 -0.018 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1 285965464 ASRRIILOSHLFOM-UHFFFAOYSA-N 379.373 -0.050 5 20 GBBD O=[N+]([O-])c1cc2c(N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)ncnc2s1 286680308 ZKEMUTXMFHGUOI-GHMZBOCLSA-N 399.454 -0.121 5 20 GBBD O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 294389312 DWBLZGPCMYNRSV-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD CCOC(=O)CN(C)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O 296836200 WWPQPFYLAPIZAP-UHFFFAOYSA-N 385.354 -0.239 5 20 GBBD CCOC(=O)c1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc([N+](=O)[O-])c1 458038163 CTBZVRFNVYKHAO-UHFFFAOYSA-N 378.341 -0.459 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 468713988 KQXLJRCIEGHWCZ-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD O=C(N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1(O)CCOCC1 475289479 CLVTYWIQHJELNL-UHFFFAOYSA-N 399.425 -0.031 5 20 GBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 489759484 OWULIVYYXXWFOY-LLVKDONJSA-N 390.422 -0.915 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)CO)CC1 544664333 GAXAPOXPQCNRFV-UHFFFAOYSA-N 387.370 -0.793 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 593816901 RLDYFRGPYSMAAL-CHWSQXEVSA-N 387.414 -0.129 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(N2CC[C@@H](O)C2)C1 593856488 YJBAXJPLMOBRNP-CQSZACIVSA-N 398.441 -0.459 5 20 GBBD O=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO3)=NN1 1778933940 UOLPSAINJHJVLJ-INIZCTEOSA-N 391.340 -0.493 5 20 GBBD O=C(O)CSCC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1846390999 NGIIHZYROXSNPM-UHFFFAOYSA-N 383.386 -0.047 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 32822342 MIEKUPMDQAMIMG-UHFFFAOYSA-N 380.386 -0.107 5 20 GBBD CCOC(=O)COCCNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 297008410 GGNNCXVLFJOJOI-ZFWWWQNUSA-N 385.373 -0.132 5 20 GBBD CO[C@@H]1C[C@H]2C(=O)N(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)N2C1 349337325 YOTXHPXNMFNQSQ-YPMHNXCESA-N 398.397 -0.075 5 20 GBBD NC(=O)N1CCN2C(=O)N(CCC(=O)Nc3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 410045745 AQXLWNUEXKUJIU-LBPRGKRZSA-N 390.356 -0.050 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H]2CNC[C@@H]2C1 417676851 GAAXRRVWVAPYOU-TXEJJXNPSA-N 383.430 -0.266 5 20 GBBD CN(CC(=O)NCc1nccc(N)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 433048025 YSDPAHHLFPLNAD-UHFFFAOYSA-N 380.386 -0.096 5 20 GBBD NS(=O)(=O)CC1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 498635292 DLXBXGZOJLMINN-UHFFFAOYSA-N 378.432 -0.253 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N 516316869 MNISKRIISDDQNN-SECBINFHSA-N 388.377 -0.309 5 20 GBBD CN1CCNC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 564957037 XLHAGHNLIZUOBV-ZDUSSCGKSA-N 385.446 -0.717 5 20 GBBD COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] 594826802 OAEJNBGMOWSMAO-JOYOIKCWSA-N 380.400 -0.306 5 20 GBBD O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2nccnn2)CC1 600665241 POWNGLDSTIYDMQ-UHFFFAOYSA-N 394.369 -0.011 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1=O 733563997 FVECUKVASLRCCU-UHFFFAOYSA-N 378.297 -0.479 5 20 GBBD O=C(O)Cn1cc(COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nn1 821537223 ASVIDBJLGNABGG-UHFFFAOYSA-N 391.296 -0.260 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 821592360 BUIFTSLKDMDURD-VIFPVBQESA-N 395.401 -0.486 5 20 GBBD Cc1cc(C(=O)OCc2cn(C)nc2[N+](=O)[O-])nc2c1c(=O)n(C)c(=O)n2C 847782442 GWUOXMYTVNQJOW-UHFFFAOYSA-N 388.340 -0.061 5 20 GBBD O=C(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@@H]1CCS(=O)(=O)C1 1116346307 RQLJQOUOIKEOKH-VXGBXAGGSA-N 383.430 -0.221 5 20 GBBD CN(C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC(O)C1 1325059335 VUWPYLUTWJSDOG-UHFFFAOYSA-N 396.425 -0.078 5 20 GBBD O=C1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]c2[N+](=O)[O-])N1 1796849658 NZLNDONUVLULDW-VLEAKVRGSA-N 376.373 -0.152 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012330 RTZUREAIUUDZNI-MGAJZRQESA-N 394.388 -0.954 5 20 GBBD Cn1c(COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc(=O)n(C)c1=O 11236093 MUNSMNCTWIXPRB-UHFFFAOYSA-N 376.325 -0.535 5 20 GBBD Cn1nc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1=O 109246662 FSHLVFVOHPOYJM-UHFFFAOYSA-N 381.370 -0.603 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O 265297040 WOLHUQMIVGMAOB-VIFPVBQESA-N 379.416 -0.578 5 20 GBBD O=C1CN(C(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCN1 332443206 BPHBGHSBBBZCJD-UHFFFAOYSA-N 381.414 -0.628 5 20 GBBD CNC(=O)[C@@H]1CN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CCO1 368470974 QOGMGADJFLDRDA-ZDUSSCGKSA-N 380.357 -0.551 5 20 GBBD C[C@H]1NCCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420173747 VUTHYXNFXSNXDD-RISCZKNCSA-N 398.441 -0.259 5 20 GBBD Cn1cc(C[C@@H](O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 469373230 LBUBMESZPIYMRO-CYBMUJFWSA-N 397.413 -0.674 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2OCCOC)c([N+](=O)[O-])n1 485935381 VCDWJJVYJOIQAK-MNOVXSKESA-N 378.407 -0.090 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC[C@@](C)(O)CN2CCOCC2)ccc1[N+](=O)[O-] 542958635 KWEIYGOKVMFWMH-GOSISDBHSA-N 394.428 -0.168 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1[N+](=O)[O-] 574101344 NDAMSZHMGCSNCS-GVXVVHGQSA-N 375.385 -0.458 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCS(=O)(=O)N2CCSCC2)c1 578619503 SMYUFMCYERVHIB-LBPRGKRZSA-N 379.464 -0.880 5 20 GBBD Cc1nn(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)n1C 594039024 OMWBABBFELWQFH-UHFFFAOYSA-N 388.384 -0.217 5 20 GBBD COC(=O)CNC(=O)[C@H]1CCCN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596275747 WJFNNPKPYHOGHO-SNVBAGLBSA-N 386.386 -0.500 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](CC(N)=O)C1 599498522 QYKXBSSXICHABG-JTQLQIEISA-N 387.370 -0.354 5 20 GBBD CNc1nccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 848791586 VIEOLNUWIXFWMR-BDAKNGLRSA-N 386.386 -0.120 5 20 GBBD O=C(O)CN1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 1574716003 IAMJGBYMMBBVIB-UHFFFAOYSA-N 390.352 -0.144 5 20 GBBD C[C@H]1OCC[C@H]1N(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590337457 MYTSCDCZGYUMAV-NXEZZACHSA-N 398.401 -0.065 5 20 GBBD O=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)=NN1 1778939352 KBUKUEXSJSXRBF-MRXNPFEDSA-N 390.356 -0.758 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796083456 ZCFPDZRLEFGIDX-LMLFDSFASA-N 393.404 -0.838 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840965803 NBBDROZAYDJZKO-SNVBAGLBSA-N 379.373 -0.402 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2cn[nH]c2)C1 1843502318 PAQYWEOITAMCBI-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 29015259 AQKZMGBLFFXGMG-UHFFFAOYSA-N 398.401 -0.071 5 20 GBBD C[C@@H](C[S@@](C)=O)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 273105149 BHTFXDHJQYSJPH-UZKFNYRNSA-N 392.459 -0.073 5 20 GBBD Cc1c(C(=O)NCCOCCS(N)(=O)=O)nnn1-c1cccc([N+](=O)[O-])c1 294485429 RXUNTHOAQPTXKF-UHFFFAOYSA-N 398.401 -0.481 5 20 GBBD O=C1CN(C(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCN1 297964373 VQDOLWZCRGJCIC-UHFFFAOYSA-N 376.369 -0.077 5 20 GBBD O=C([C@H]1COCCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298385645 BIGOQHXSIDBASO-CYBMUJFWSA-N 385.398 -0.157 5 20 GBBD NS(=O)(=O)CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 298731450 SVAJFTNYLQYGMZ-UHFFFAOYSA-N 394.431 -0.684 5 20 GBBD CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CC(=O)NC1=O 502526281 NIRIGHKUTKLRAH-NSHDSACASA-N 376.325 -0.416 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](C(=O)OC)C1 543186458 HOYNOIAITVBXNS-LLVKDONJSA-N 388.354 -0.056 5 20 GBBD C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 565273632 CQBZQXFTTNTFRC-HHHXNRCGSA-N 395.441 -0.334 5 20 GBBD NC(=O)c1ccnc(Nc2cnn(CC(=O)N3CCOCC3)c2)c1[N+](=O)[O-] 582458772 BMQOPJFESHVZGB-UHFFFAOYSA-N 375.345 -0.112 5 20 GBBD C[C@H](NC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CN(C)CCO1 588662865 ZNHPJUNFZXTLCL-IINYFYTJSA-N 390.400 -0.077 5 20 GBBD O=C1NCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 596642103 FOIGZNIZYKBWIX-NSHDSACASA-N 382.398 -0.436 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] 599500363 LRFAKAQATMNWJI-SECBINFHSA-N 387.370 -0.354 5 20 GBBD CCn1nncc1CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 599507779 HFUGYMHCCAGGCT-UHFFFAOYSA-N 388.388 -0.434 5 20 GBBD Cn1c(N2CCc3c(cccc3[N+](=O)[O-])C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 826355530 DOSUQYZMXLSJBV-UHFFFAOYSA-N 384.356 -0.265 5 20 GBBD CN(CCNS(C)(=O)=O)C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 1325500423 FCUSTWNBSWBTEO-UHFFFAOYSA-N 392.821 -0.128 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419746 SUNGCMUTTLWKLY-PIGZYNQJSA-N 393.400 -0.109 5 20 GBBD C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1793425885 MNNIVBBQLBSLPU-YYHMBLRTSA-N 394.384 -0.098 5 20 GBBD CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840209654 WGVJOOCDAMXVGJ-BDJLRTHQSA-N 397.388 -0.577 5 20 GBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC(=O)N1CCOCC1 11390261 QQQBHWQEJMPPGI-UHFFFAOYSA-N 377.309 -0.407 5 20 GBBD COC[C@H](O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265351601 BNMIBIUERHXCBO-SNVBAGLBSA-N 376.391 -0.820 5 20 GBBD CNC(=O)[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 272769672 MAJZJNQHFJFIMF-LBPRGKRZSA-N 387.370 -0.499 5 20 GBBD CNc1nc(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-] 455555752 POXKWGRPGHXPKS-UHFFFAOYSA-N 378.389 -0.158 5 20 GBBD CN(CC(=O)N[C@H](CO)[C@@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 468661123 OQAIBFDYJKSXSK-KGLIPLIRSA-N 387.414 -0.129 5 20 GBBD Cn1cc(OCC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 500826161 VFMCYRXZLOHNGW-UHFFFAOYSA-N 383.386 -0.198 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 505985845 CSNMUVICSGAMEJ-ZDUSSCGKSA-N 382.421 -0.523 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 517881983 BHIDQEDHRLVVQO-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD CCn1cc(S(=O)(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])n1 533174033 DAAVSOJUYBCWKY-UHFFFAOYSA-N 395.463 -0.144 5 20 GBBD COC[C@@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 609565697 SHMMETGQDUDXIX-AWEZNQCLSA-N 390.418 -0.430 5 20 GBBD COCCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739183528 LJEFQPFGKAWZNT-UHFFFAOYSA-N 395.415 -0.692 5 20 GBBD CNC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)C 826051353 KSHVMOOCFSFYCR-NSHDSACASA-N 383.390 -0.176 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 1261164897 FVWQWVXRCCCONZ-UHFFFAOYSA-N 378.267 -0.902 5 20 GBBD COc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1318117420 GAVZUTTYWWDWDP-LLVKDONJSA-N 385.398 -0.021 5 20 GBBD CNC(=O)CCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1321721996 HWRMMUZKKSARLB-UHFFFAOYSA-N 377.401 -0.114 5 20 GBBD O=C(N[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1329042047 QQBVQXVFBVCZMA-NSHDSACASA-N 390.400 -0.166 5 20 GBBD CN1CC2(CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C2)OC1=O 1591171105 JZFZVZYCOPTDAC-UHFFFAOYSA-N 395.357 -0.400 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@](O)(C(=O)O)C1 1777244048 JBPIFGRKUKWHKF-CYBMUJFWSA-N 375.359 -0.198 5 20 GBBD O=C(Cn1cnnn1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415666 NPRVNLNOXKUXBH-HNNXBMFYSA-N 390.360 -0.947 5 20 GBBD CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786853585 NHQNQTYGMLPDOH-AVGNSLFASA-N 394.432 -0.089 5 20 GBBD CN(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795434760 ZUCLGZRESYCIJR-PTEHBNRSSA-N 380.405 -0.527 5 20 GBBD Cc1cc(C(=O)NCC(=O)OCC(=O)N2CCNC(=O)C2)ccc1[N+](=O)[O-] 11626742 GWLLAWDVUNSQDF-UHFFFAOYSA-N 378.341 -0.865 5 20 GBBD Nc1c(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc(F)cc1[N+](=O)[O-] 58399375 CNJVNWFURTXMEI-UHFFFAOYSA-N 379.348 -0.121 5 20 GBBD CS(=O)(=O)CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280766502 MAUXUBWFZLCZHL-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCCn3ncnn3)cc2[N+](=O)[O-])CC1 473893142 FAUBJNKSJNNVEX-UHFFFAOYSA-N 388.388 -0.320 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[S@@](=O)C1 475133081 YDWSKLTZTLPRGU-VKTRGTBVSA-N 390.443 -0.307 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](CO)O1 502812697 GFTDTIKURKAJRI-GXSJLCMTSA-N 377.357 -0.305 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](CO)O1 502812708 GFTDTIKURKAJRI-MWLCHTKSSA-N 377.357 -0.305 5 20 GBBD Cn1cc(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 522762787 XSFHTISJSPGEIF-UHFFFAOYSA-N 381.370 -0.394 5 20 GBBD Cn1c(=O)c2c(ncn2Cc2nc(Cc3ccc([N+](=O)[O-])cn3)no2)n(C)c1=O 545072598 HOHQVTCTTSZOSY-UHFFFAOYSA-N 398.339 -0.241 5 20 GBBD COc1nccc(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 549249935 RNLFCGKYZHUEIG-UHFFFAOYSA-N 396.385 0.493 5 20 GBBD O=C(NC[C@H]1COCCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 551785105 RWXRUHMORQYBSG-HNNXBMFYSA-N 378.385 -0.225 5 20 GBBD COC(=O)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C(=O)OC)C1 599273210 ADEFGMRJOBTKNS-DTWKUNHWSA-N 390.374 -0.556 5 20 GBBD O=C(NC[C@@H]1COCCN1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 599899970 QYIIRWMSUXNLAX-SNVBAGLBSA-N 380.357 -0.201 5 20 GBBD Cn1nnnc1CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 611306566 LAJHHXVPTVVEDW-UHFFFAOYSA-N 397.417 -0.206 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 619873672 HFHWGNKBOOGDOY-GFCCVEGCSA-N 383.361 -0.912 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1253411512 JMTLCVSKAMGIRT-UHFFFAOYSA-N 391.384 -0.950 5 20 GBBD CN1C[C@@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O 1591168712 WVHFFAXYULTABM-VIFPVBQESA-N 395.401 -0.078 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591679073 RHOGXEQLYFQTNG-UHFFFAOYSA-N 397.421 -0.841 5 20 GBBD O=C(C(O)O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1825123797 UDUFWUGPFVKIIC-AWEZNQCLSA-N 395.416 -0.278 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 294772803 TUSFCDCPOXMILS-UHFFFAOYSA-N 383.390 -0.699 5 20 GBBD CN1CCNC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 418757608 HSSWHIUBSQFOSE-MRXNPFEDSA-N 390.444 -0.034 5 20 GBBD CCc1[nH]nc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-] 444158882 UZHTZZZVLFSEGN-GHMZBOCLSA-N 387.418 -0.892 5 20 GBBD CC[C@@H](C)[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NCCN1CCOCC1 501209594 OEBUJSCZWGJPNT-TZMCWYRMSA-N 396.448 -0.079 5 20 GBBD CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 554580769 TVPKNCBKWNSJGM-CYBMUJFWSA-N 390.400 -0.625 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 582371725 KJFJSBYSMZQCSH-KGLIPLIRSA-N 375.385 -0.976 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(O)(CO)CC1 598179430 ZDDXSXASTCYJGW-UHFFFAOYSA-N 387.414 -0.391 5 20 GBBD COC(=O)[C@](C)(NC(=O)CNC(=O)CNC(C)=O)c1cccc([N+](=O)[O-])c1 600526806 HNGCCISRAZPLBP-MRXNPFEDSA-N 380.357 -0.649 5 20 GBBD O=C(CCCN1C(=O)CNC1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 770771827 GTEHAOKNWNPMEU-UHFFFAOYSA-N 388.333 -0.129 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCN1CCCS1(=O)=O 773094502 GPVJHMZOXXARCA-UHFFFAOYSA-N 397.365 -0.231 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC[C@@H]2CO)c1-c1nn[nH]n1 826500284 RUQIAEMMFVJYDC-QMMMGPOBSA-N 386.415 -0.127 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839300156 QZZMKIHIRIXKRI-ZDUSSCGKSA-N 389.412 -0.020 5 20 GBBD CCc1[nH]nc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1[N+](=O)[O-] 854591000 INDNTUVWPSTODI-UHFFFAOYSA-N 379.420 -0.236 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(O)CCC3(CC2)OCCO3)n1 859063389 IOGPZLBNRYUQMU-UHFFFAOYSA-N 376.391 -0.345 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCCS(=O)(=O)N1CCOCC1 1609600303 BZMDMWGNIZCGNI-UHFFFAOYSA-N 384.378 -0.756 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1777128536 KJGORVQNPPCVRL-CQSZACIVSA-N 388.354 -0.018 5 20 GBBD O=C(Cn1ccnn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378677 GBTZBHYTBJXIJZ-OAHLLOKOSA-N 390.360 -0.947 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792352594 BSEWXHCRFQWNFZ-YYHMBLRTSA-N 394.384 -0.098 5 20 GBBD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2)n1cnnn1 1803085819 JMDZPOANRSMHCK-CHWFTXMASA-N 389.376 -0.183 5 20 GBBD CN1CCN(CC(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)CC1 1843389814 HLLHWCZYQXCQOD-UHFFFAOYSA-N 391.432 -0.618 5 20 GBBD CS(=O)(=O)CCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1846699664 RANFGYKQGHTVIX-UHFFFAOYSA-N 399.429 -0.571 5 20 GBBD NC(=O)c1ccc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 27365814 BHUPRFGCDSQWOS-AWEZNQCLSA-N 382.442 -0.002 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 46042406 GVMUGCYXYGHPTR-UHFFFAOYSA-N 376.369 -0.077 5 20 GBBD Cc1c(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 268034143 WCMMAOIRMFYUOR-NSHDSACASA-N 398.397 -0.184 5 20 GBBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 271181453 YVGBCAOTHQHEEX-ZIAGYGMSSA-N 384.414 -0.098 5 20 GBBD COc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)cc1[N+](=O)[O-] 275066334 ZZOOAJGAXCHXMM-SECBINFHSA-N 387.370 -0.185 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 276441564 SVRGYVTYGGZQJR-UHFFFAOYSA-N 388.384 -0.374 5 20 GBBD COc1ccc(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 276772450 OTYUEYONLRFEEJ-UHFFFAOYSA-N 389.324 -0.044 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)c(C)c([N+](=O)[O-])c1 296158113 KZDWCZSIEYMXAR-MRVPVSSYSA-N 378.341 -0.025 5 20 GBBD CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)NC1=O 502569638 MMLDWSCJXUOEJD-LBPRGKRZSA-N 377.357 -0.342 5 20 GBBD CCC(CC)(NC(=O)C1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1)C(N)=O 581029309 VUACPNHLVHVCHN-UHFFFAOYSA-N 380.405 -0.131 5 20 GBBD COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 583420128 NOCHRGZJIJXLDW-CQSZACIVSA-N 387.414 -0.112 5 20 GBBD C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 585719000 AYXRIDJPGITZEH-ZDUSSCGKSA-N 394.432 -0.208 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(OCCO)CCOC1 595127076 ZEFFQTSAWGYSLP-INIZCTEOSA-N 383.357 -0.174 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 596289470 QFJVVRWKDWHPJE-UHFFFAOYSA-N 387.418 -0.235 5 20 GBBD NS(=O)(=O)CC1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598595937 LZMQOJWAKNMMTH-UHFFFAOYSA-N 386.434 -0.274 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 610410927 YSYHFGVYNPOYNT-SECBINFHSA-N 378.432 -0.253 5 20 GBBD CC(C)N(C)S(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 729915193 GJKABMUDMRCSBA-UHFFFAOYSA-N 384.370 -0.108 5 20 GBBD CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 768812321 KKGPYRKMEBLEMQ-UHFFFAOYSA-N 398.488 -0.488 5 20 GBBD CC(C)(C(N)=O)N1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 826126521 FMQDRYZZLSYILI-UHFFFAOYSA-N 393.400 -0.205 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 845486505 QHGSSCWBYCUWKB-UHFFFAOYSA-N 382.358 -0.811 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 1329390173 WQUMGRZBZWUQHV-KGLIPLIRSA-N 391.432 -0.154 5 20 GBBD C[C@H](O)C[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1589996990 LNCIULRCBAZUII-UWVGGRQHSA-N 398.401 -0.065 5 20 GBBD COCCS(=O)(=O)CC(=O)OCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1605121723 YMPHRUAIOLUGFG-UHFFFAOYSA-N 385.358 -0.121 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 1777620431 NOQLORDNIZFPQY-JTQLQIEISA-N 382.347 -0.394 5 20 GBBD CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840208771 WBMYJYMBBGQYFY-ZBEGNZNMSA-N 397.388 -0.577 5 20 GBBD CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 265990939 YRPWXURAIKRMKV-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD NS(=O)(=O)CCN1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 266226109 RXQUSUMJRHWQBC-UHFFFAOYSA-N 383.430 -0.110 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 269941080 ZVJHNEVUXIRYBJ-HUUCEWRRSA-N 385.442 -0.121 5 20 GBBD CC1(C)CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 421943095 RLDNOYUAQRSZKA-NSHDSACASA-N 387.414 -0.129 5 20 GBBD CN(CC(=O)O)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1O 435698965 VQWSUXVINSBTPX-HUUCEWRRSA-N 389.368 -0.018 5 20 GBBD CN(C)c1noc(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 505924751 KHTGRHJXKQMOOZ-UHFFFAOYSA-N 398.401 -0.019 5 20 GBBD C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 517040494 TZDMFUIEBXEDOR-SECBINFHSA-N 387.418 -0.962 5 20 GBBD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 571003743 ZRZZFFPXJOINJM-OLZOCXBDSA-N 392.416 -0.014 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596074852 HVVONGLYDTVYJH-UHFFFAOYSA-N 393.447 -0.829 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 609955107 IAZAGTLSJMUDSF-GFCCVEGCSA-N 377.357 -0.614 5 20 GBBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N(C)CC(=O)NC1CC1 748912878 UVUMXNDHHIKRQU-JTQLQIEISA-N 380.357 -0.575 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2cccc(-c3nnnn3C)c2)n1 780318634 YECGWRTYHFKCOE-UHFFFAOYSA-N 392.357 -0.363 5 20 GBBD C[C@H]1OC(=O)N[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 817643999 SPYNBFHEEWHWDD-SKDRFNHKSA-N 386.386 -0.172 5 20 GBBD C[C@@H]1COCCN1CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1323373909 QAKSADITGAVYLW-CYBMUJFWSA-N 380.401 -0.073 5 20 GBBD O=C(CN1CCOCC1=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1592868404 BLRQCGSCJZNSSX-UHFFFAOYSA-N 390.360 -0.838 5 20 GBBD O=C(CN1CC[C@@](O)(C(=O)O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1601304984 XTDLKVOUFJCRHJ-KRWDZBQOSA-N 378.385 -0.235 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1609540234 TZNISRWGOITWHS-UHFFFAOYSA-N 386.372 -0.298 5 20 GBBD O=C(Cn1cncn1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415506 DNUYOABRAPWWAK-INIZCTEOSA-N 389.372 -0.342 5 20 GBBD O=C(Cn1nccn1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1781419241 PYYDSQFNLZTCBP-OAHLLOKOSA-N 390.360 -0.947 5 20 GBBD O=C(c1cc(CO)on1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389411 PFGFRLKJQKJWJE-UHFFFAOYSA-N 376.329 -0.071 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCCN1C(=O)CNC1=O 264504242 WBZDTPTXQNMYND-UHFFFAOYSA-N 389.324 -0.751 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 264516926 COFZPDSOXCERDR-UHFFFAOYSA-N 381.341 -0.111 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 267196245 MHFSXSLDGVEZOE-UONOGXRCSA-N 387.389 -0.350 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O 269131621 IRTDJSNACIDNCH-QMMMGPOBSA-N 388.789 -0.421 5 20 GBBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 299727748 VNIALBWFFPFHIS-LLVKDONJSA-N 389.368 -0.681 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)OC)CCOC2)cc1[N+](=O)[O-] 416422688 NWAJDXUANFQORP-CQSZACIVSA-N 388.354 -0.008 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)COC2CNC2)CC1 429740773 FTMFCZNZWBBCAM-UHFFFAOYSA-N 398.441 -0.275 5 20 GBBD O=C1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1 434099079 WDVBKEVQQLZMNO-LLVKDONJSA-N 399.429 -0.159 5 20 GBBD COC(=O)Cn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)nn1 441895584 VCMQUIUQGLNAKE-UHFFFAOYSA-N 385.358 -0.154 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CCC(=O)NC1=O 492573397 PREMDJNFPHSTDJ-RKDXNWHRSA-N 398.397 -0.039 5 20 GBBD COC[C@@H](C(N)=O)N(C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 500345237 VKNXTAAHOVUNRS-LBPRGKRZSA-N 388.402 -0.778 5 20 GBBD Cn1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(O)nc1=O 524862762 SDWMRHUILCRVIQ-UHFFFAOYSA-N 387.352 -0.008 5 20 GBBD O=C(NCCn1ncnn1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 533226852 YZNQPNFRSJABFS-ZDUSSCGKSA-N 395.401 -0.449 5 20 GBBD NC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)o1 544814216 NJSOORUQFVUFRH-UHFFFAOYSA-N 382.358 -0.412 5 20 GBBD O=C(N[C@@H]1CCn2ccnc2C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 561913867 IISXPSAFPVJGTH-CYBMUJFWSA-N 399.411 -0.034 5 20 GBBD N[C@@H]1C[C@@H]2CN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CCN2C1=O 578338821 YYRQJHGSQYIBJQ-ZIAGYGMSSA-N 389.412 -0.185 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 597926900 KHXNWERCYNGMTJ-BETUJISGSA-N 384.352 -0.170 5 20 GBBD C[C@H](NC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCCCC1 748910292 DEMQRVKIPBQHIB-LBPRGKRZSA-N 394.384 -0.183 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 1326214132 NGBYMTXCOQYDTM-OLZOCXBDSA-N 379.369 -0.064 5 20 GBBD O=C(NCCC(=O)N1CCCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 1328035366 AFIZFLLWMSKYDZ-UHFFFAOYSA-N 380.405 -0.184 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1781551274 PNNSYZNJKPUACM-YOEHRIQHSA-N 395.391 -0.537 5 20 GBBD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)cc1[N+](=O)[O-] 1792799140 NZSNZSBKZGBJDU-YWVIFJGQSA-N 393.396 -0.654 5 20 GBBD CC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795444693 PLLPHXVTGKTJHY-CLLJXQQHSA-N 376.369 -0.016 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796850160 TYHBGRLZDBQFIO-VLEAKVRGSA-N 393.404 -0.838 5 20 GBBD CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834717146 JDTAIRBHEDNWBV-MRXNPFEDSA-N 380.357 -0.418 5 20 GBBD CN(CC(=O)N1CCN(CCO)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265811650 PWISAHLWPKIVPH-UHFFFAOYSA-N 386.430 -0.648 5 20 GBBD O=C(CN1CCc2cc([N+](=O)[O-])ccc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 280540429 PUPQBSZPODDQKX-LLVKDONJSA-N 382.398 -0.030 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 376726045 NHRJSTVPXTUHKH-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD O=C(O)[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCS1(=O)=O 424363981 COFSGSWJBOUHQG-GFCCVEGCSA-N 392.411 -0.349 5 20 GBBD CNC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 470658486 XWSOSMFGHHHUAF-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD C[C@@H](O)C(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 497548976 LXRXWDHIBNQZAB-LLVKDONJSA-N 386.430 -0.126 5 20 GBBD COc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 508404562 YJPSAEVIWWEQPF-KBPBESRZSA-N 399.425 -0.481 5 20 GBBD CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 510280297 BGYUBUUUMOAVHQ-UHFFFAOYSA-N 393.448 -0.372 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)O 594543867 ITUKFOULXGRJHG-LLVKDONJSA-N 392.368 -0.284 5 20 GBBD CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 595187261 CLKLDUCLYOLKBN-ZDUSSCGKSA-N 393.400 -0.488 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] 611896482 HQHCDTYDFMQLTM-UHFFFAOYSA-N 393.400 -0.226 5 20 GBBD O=C(O)c1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 738694346 OBISSSQEEXUBNL-UHFFFAOYSA-N 379.373 -0.331 5 20 GBBD COc1cc(CCNC(=O)C(=O)NCC[S@@](C)=O)c([N+](=O)[O-])cc1OC 785586750 HFKSHIUMXVIXFW-AREMUKBSSA-N 387.414 -0.235 5 20 GBBD CN1CCO[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@@H]21 821628408 HXJOOXNTYJBIDG-QWRGUYRKSA-N 395.401 -0.522 5 20 GBBD CCS(=O)(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825663102 IVADYYNDNMMMHF-UHFFFAOYSA-N 390.403 -0.512 5 20 GBBD CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1324318094 YZQLQJZXZNKRRI-UHFFFAOYSA-N 382.421 -0.523 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC(NC(=O)COC)CC2)c([N+](=O)[O-])n1 1341111520 LHHMEHIQQZWVES-UHFFFAOYSA-N 375.407 -0.273 5 20 GBBD CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1342883124 BZHCPHWMVYMHKE-UHFFFAOYSA-N 391.428 -0.338 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1345055368 VRSKFHPOAIIWSP-UHFFFAOYSA-N 391.428 -0.420 5 20 GBBD CC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1590144516 HDTIIWLGJNZWPH-ZYHUDNBSSA-N 388.388 -0.029 5 20 GBBD CN1CCOC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591195122 SRVQIJSVBMDXHS-SECBINFHSA-N 383.390 -0.616 5 20 GBBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCn1cnc(-c2nn[nH]n2)n1 1609603587 OQUNLMKFLFJFJN-JTQLQIEISA-N 375.349 -0.604 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778129156 ITBJRRVNWYICSV-QEORTHHSSA-N 393.400 -0.608 5 20 GBBD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(O)O)C[C@@H]32)ncc1[N+](=O)[O-] 1787638101 ZNAWXOFWQLEUAO-MJVIPROJSA-N 394.384 -0.798 5 20 GBBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1)C(O)O 1814708912 CSRWPVFDQJHFMC-MRVPVSSYSA-N 379.333 -0.342 5 20 GBBD COC(=O)CNC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8632957 TYHHBKDHZSAOFV-UHFFFAOYSA-N 379.281 -0.977 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)OC)[C@H](C)O)cc1[N+](=O)[O-] 275707987 GOSRBLUAUDPDRJ-WRWORJQWSA-N 391.358 -0.026 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c(C)c1[N+](=O)[O-] 276896277 UZRZWVGWFSIHHG-JTQLQIEISA-N 388.358 -0.005 5 20 GBBD CC(C)NS(=O)(=O)NCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 277158584 LMBLUPAULCSOJL-UHFFFAOYSA-N 380.448 -0.153 5 20 GBBD Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 288984911 VKHDWYAXLUVLQK-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC(=O)N1 295721701 LCOCSIOWZIEYOH-GFCCVEGCSA-N 397.457 -0.144 5 20 GBBD COc1ccc(NC(=O)[C@@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 376784157 FXENXXGZRWNBFJ-MNOVXSKESA-N 391.384 -0.427 5 20 GBBD CNC(=O)COc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 492279248 YGAUBKIVIZSYLB-UHFFFAOYSA-N 390.356 -0.329 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 537721079 TYROJUYNEJRSCH-UHFFFAOYSA-N 375.382 -0.026 5 20 GBBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCS(=O)(=O)C1 779102861 DMMWBMWWFUNYIB-VIFPVBQESA-N 386.386 -0.236 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1118123208 KNFYASNOBQBEFH-NHYWBVRUSA-N 378.385 -0.241 5 20 GBBD CN(C)C(=O)N1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 1118193129 RTRHXBZJIJOKJQ-UHFFFAOYSA-N 393.400 -0.084 5 20 GBBD CN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCNC1=O 1325417028 CAELPPXMONUMAV-AWEZNQCLSA-N 375.385 -0.410 5 20 GBBD CN1CCC[C@H](NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1=O 1349065492 DLAHFVHLUPYFDH-AWEZNQCLSA-N 376.369 -0.079 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1588822349 AABNILHQUYHUKP-UHFFFAOYSA-N 389.376 -0.337 5 20 GBBD CN1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCC1=O 1604846795 QHJOEQUIJOTNBV-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD CC(C)(C)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401118 AAFZAOVKLHIKTO-PTEHBNRSSA-N 394.432 -0.091 5 20 GBBD COC(=O)c1cc(C)nc(N2CCN(CCS(N)(=O)=O)CC2)c1[N+](=O)[O-] 288481542 QZSYLFYOVAECAJ-UHFFFAOYSA-N 387.418 -0.505 5 20 GBBD COCCOCCN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297689897 IPIAAXBFEBYSEF-UHFFFAOYSA-N 395.416 -0.240 5 20 GBBD CCOC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(=O)OC)c2=O)CC1 298731309 RPGHNYMMWHDSOS-UHFFFAOYSA-N 396.356 -0.156 5 20 GBBD O=C(CN1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 441168474 AQPZYRYIDBJOLZ-MRXNPFEDSA-N 380.449 -0.218 5 20 GBBD CNC(=O)C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 455457096 FVIJWRBAJUAAOJ-SNVBAGLBSA-N 387.418 -0.303 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN([C@@H]3CC(=O)NC3=O)CC2)c([N+](=O)[O-])c1 569936647 BNKAQUGMUHYTQJ-CYBMUJFWSA-N 382.398 -0.465 5 20 GBBD O=C(NC[C@@H]1CCCCN1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591418665 HQHWYZUFRWVMQS-ZDUSSCGKSA-N 376.417 -0.103 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)n1 597565416 XODMWHPNEFVJPF-UHFFFAOYSA-N 383.390 -0.319 5 20 GBBD NC(=O)c1cc(F)ccc1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 598892890 RZWNHORSCZJZIE-UHFFFAOYSA-N 377.336 -0.227 5 20 GBBD CNCCOCCN(C)C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 599947239 UQJRXHODTYIMLY-UHFFFAOYSA-N 378.389 -0.218 5 20 GBBD CNC(=O)CN(C)c1cc(-c2nn[nH]n2)c([N+](=O)[O-])c(N(C)CC(=O)NC)c1 736872917 DLEBSWMYXAFLOF-UHFFFAOYSA-N 391.392 -0.861 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@]2(CO)C1 782946907 VNACFTLCQFIXJE-XHDPSFHLSA-N 384.414 -0.103 5 20 GBBD COC(=O)[C@H](C)S(=O)(=O)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 797287371 QPEGYXHMMBIUSZ-VIFPVBQESA-N 387.370 -0.278 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 807972494 CXCRXVUQNFBSTO-UHFFFAOYSA-N 375.382 -0.026 5 20 GBBD COC[C@@](C)(NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 831608284 JTHAQWSNDCXVFI-CQSZACIVSA-N 389.386 -0.179 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)CN(C)S(C)(=O)=O)cccc1[N+](=O)[O-] 842405148 HCUGMHAOLBWMHT-UHFFFAOYSA-N 379.416 -0.259 5 20 GBBD O=C([C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCOCC1 1319368749 FRBPGDASAIVBOT-ZDUSSCGKSA-N 378.385 -0.004 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 1329130494 OJQGSDKKFHTVOH-UONOGXRCSA-N 399.425 -0.476 5 20 GBBD CN(CCNC(=O)CN1CCCC1=O)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1604764922 KJUIETCROYLIOW-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD NC(=O)c1ncccc1C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1842156345 HQKGOQSODZUJPE-UHFFFAOYSA-N 399.367 -0.057 5 20 GBBD COCCN1CCN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CC1=O 271059057 DBERFYNLDLSTMR-UHFFFAOYSA-N 394.384 -0.207 5 20 GBBD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 282403031 XKKYASFXUJQCDV-GXFFZTMASA-N 399.429 -0.303 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@](O)(c2c[nH]nn2)C1 285604061 CCJAVFRZTOBENK-AWEZNQCLSA-N 396.385 -0.889 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@](O)(C(N)=O)C2)c(C)c1[N+](=O)[O-] 286409578 LUWCTYXRCVRAPU-ZDUSSCGKSA-N 388.358 -0.269 5 20 GBBD O=C(CCn1cnccc1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 292140912 IADKGOYBRHFQAT-UHFFFAOYSA-N 395.397 -0.364 5 20 GBBD C[C@@H](Cn1cncn1)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299270774 YODNLGCLPCYQKU-JTQLQIEISA-N 397.417 -0.159 5 20 GBBD NC[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 420061950 MCEQNJOCNWCJNI-LLVKDONJSA-N 395.441 -0.206 5 20 GBBD CS(=O)(=O)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 516759872 SSENENIYGIGPNK-UHFFFAOYSA-N 391.427 -0.284 5 20 GBBD NC(=O)C1(O)CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 577872806 BLPHZLHPQCVIQZ-UHFFFAOYSA-N 387.370 -0.633 5 20 GBBD CN(C)S(=O)(=O)N1CC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 599182010 GRDFGTSNPCHDFB-UHFFFAOYSA-N 379.420 -0.855 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 609522522 VGJVBUXIYQTIJK-AWEZNQCLSA-N 394.432 -0.427 5 20 GBBD Cc1nc(CN2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)n[nH]1 612092730 LOMXHEVHDHWENF-UHFFFAOYSA-N 381.418 -0.009 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1F 736410336 QXBZYODUDYAQEJ-KGLIPLIRSA-N 387.389 -0.039 5 20 GBBD COC(=O)CN(CC(=O)O)C(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 737605139 OQUGXJRVXGAYQA-MRVPVSSYSA-N 393.308 -0.335 5 20 GBBD COC(=O)C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OC 796932388 CPKQATRHHSZPTI-SNVBAGLBSA-N 394.292 -0.161 5 20 GBBD CCN1CCO[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 825465055 GVYBPWDOLOVGDS-SNVBAGLBSA-N 397.417 -0.226 5 20 GBBD O=C(CNS(=O)(=O)c1csc([N+](=O)[O-])c1)NCCN1CCOCC1 840951014 QWQZCAKFUUQTBS-UHFFFAOYSA-N 378.432 -0.617 5 20 GBBD Cc1nn(CC(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)n1C 847647122 NCDFYOGUHKGAQM-UHFFFAOYSA-N 378.345 -0.447 5 20 GBBD CN(CCCNC(=O)Cn1cc([N+](=O)[O-])nc1Br)S(C)(=O)=O 849991602 SBSMLZHRMHRFND-UHFFFAOYSA-N 398.239 -0.049 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@@H](CC(N)=O)C1 863485341 ZPJUKQZYZVEBDK-NSHDSACASA-N 381.341 -0.103 5 20 GBBD CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 1326572275 OLYKLMMRCBQYBU-CYBMUJFWSA-N 385.398 -0.265 5 20 GBBD CN(C)C(=O)CN1CCN(c2nnc(-c3ccc([N+](=O)[O-])c(N)n3)n2C)CC1 1343521310 ZFAXIDHPJOLAAB-UHFFFAOYSA-N 389.420 -0.422 5 20 GBBD CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)C1 1784781699 AQSODRSHULVROA-INIZCTEOSA-N 378.389 -0.677 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784851073 UFOCZUWACHUNBG-ZKAWZIJESA-N 391.384 -0.346 5 20 GBBD CN(C)C(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792700744 OWIUOMINZBOHLU-JGPRNRPPSA-N 393.404 -0.159 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401195 FBCMBOJOCDETBM-USZNOCQGSA-N 376.373 -0.951 5 20 GBBD CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011095 NYVQPMSZVURWMN-SSYGJKRZSA-N 394.432 -0.106 5 20 GBBD C[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835101172 PVWDTQOBZXHFPF-LLVKDONJSA-N 394.432 -0.116 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)C(=O)N(C)C)C3)n1 1843585508 QUFJBCMJXIHIKM-UHFFFAOYSA-N 391.384 -0.096 5 20 GBBD COC(=O)CCNC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 19133606 GCZAHWZVWFYKOI-UHFFFAOYSA-N 393.308 -0.587 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 264648633 HYKBBBFMCNBYTL-LBPRGKRZSA-N 389.434 -0.296 5 20 GBBD NC(=O)c1ccc(SCC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c([N+](=O)[O-])c1 268485147 FOWSEDAPWOMJLR-GXSJLCMTSA-N 382.398 -0.065 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] 268497996 ILFUMAMQFKZOEB-GWCFXTLKSA-N 380.357 -0.518 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1 269219874 ZXJIDCOQXWLZHV-SECBINFHSA-N 386.386 -0.023 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 276194034 IHOKLXAPLBTQSB-GXSJLCMTSA-N 387.370 -0.307 5 20 GBBD O=C(C(=O)N1CCn2cnnc2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 298005632 ZJQAVTYHNMZRDL-UHFFFAOYSA-N 385.384 -0.123 5 20 GBBD CN(CC(=O)O)[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O 435693727 VFHKXXHNCVFBDH-UONOGXRCSA-N 394.384 -0.697 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] 443235874 CZVHCCDMDZHSBS-OAHLLOKOSA-N 389.430 -0.035 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O 482052470 IBUIARKSLYKCBE-LBPRGKRZSA-N 390.356 -0.131 5 20 GBBD O=C(O)[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 590645334 SBYWJZBIGRYCFS-LBPRGKRZSA-N 387.370 -0.425 5 20 GBBD CC(=O)NCC(=O)N1CCCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 600411054 QZFSDHAUYYVVTN-UHFFFAOYSA-N 394.432 -0.005 5 20 GBBD NS(=O)(=O)CC1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 610410842 FZMNTYDHGIGFAF-UHFFFAOYSA-N 378.432 -0.253 5 20 GBBD CCCN(C)S(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 770614792 RLSIUHGMTVQVOP-UHFFFAOYSA-N 384.370 -0.106 5 20 GBBD COC(=O)Cc1ccc(N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])c1 827391294 ZGCZAMWSHDDLCC-UHFFFAOYSA-N 389.372 -0.354 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 1332390109 DZHHWHREGANFOP-KBPBESRZSA-N 393.396 -0.022 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1779388738 GJERDXWRKFBAFC-LRDDRELGSA-N 379.373 -0.060 5 20 GBBD COC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794001176 MPCUCYPOTUGJBK-NFFDBFGFSA-N 395.416 -0.337 5 20 GBBD Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)cc1[N+](=O)[O-] 1843350048 XDXOCDPPDJHMRZ-AWEZNQCLSA-N 375.429 -0.065 5 20 GBBD O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CN1 1845996593 PHGPJKYYSMWPKA-NSHDSACASA-N 376.373 -0.869 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2)CC1 269188859 KLBPQIVETCBOSN-ZIAGYGMSSA-N 398.441 -0.541 5 20 GBBD CN(CC(=O)N[C@H]1CCC(=O)NC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 269574765 OHATVZWNDYSRID-NSHDSACASA-N 384.370 -0.863 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C(=O)O)O1 290872512 ZWNSMSJRQGNGIB-NWDGAFQWSA-N 387.370 -0.379 5 20 GBBD CN1C[C@H](C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 421986456 KIVXKGDSRSCJBQ-LLVKDONJSA-N 384.414 -0.190 5 20 GBBD O=C(C(=O)N1C[C@@H](O)[C@@H](CO)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 460010649 HHKAXPOLBOREPL-IUODEOHRSA-N 378.385 -0.945 5 20 GBBD COc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 508404564 YJPSAEVIWWEQPF-KGLIPLIRSA-N 399.425 -0.481 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 516665315 ZHICRWYUONCSRY-WCQYABFASA-N 395.803 -0.365 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(CCOCCOC)CC2)c([N+](=O)[O-])n1 593665325 AOGKRGKFJHSQED-UHFFFAOYSA-N 391.450 -0.220 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 598030288 UEXIBLVLTKHZPG-MWLCHTKSSA-N 397.365 -0.881 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 732073870 MARXZZPYEORAEF-LBPRGKRZSA-N 379.329 -0.030 5 20 GBBD CCN(C(=O)[C@@H](C)OC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCS(=O)(=O)C1 766966311 BUFJUVBVERYBJG-ZJUUUORDSA-N 388.402 -0.091 5 20 GBBD NC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)O 776444782 PWIWKZPDJVFNTC-ZETCQYMHSA-N 396.175 -0.036 5 20 GBBD Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 840421590 OJAZSYOZPGWFQE-KSTCHIGDSA-N 392.372 -0.538 5 20 GBBD CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1321766176 HSFUTAQQICDDTP-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N(CCO)CCc1ccccc1 1325569574 HVQCRJWMJANQBV-UHFFFAOYSA-N 375.385 -0.029 5 20 GBBD CN1C[C@@H](C(=O)O)N(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1=O 1606199698 ICAXPKZIMOVUCE-AWEZNQCLSA-N 392.368 -0.201 5 20 GBBD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc([N+](=O)[O-])ccc1F 1793806144 OAAUEQVPYFQWKZ-DPIQGUFMSA-N 380.376 -0.175 5 20 GBBD O=C1NC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)O1 1794274370 RPAIMOUNMFAFJG-NOHGZBONSA-N 392.372 -0.462 5 20 GBBD NC(=O)C1=NO[C@@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 275899817 PKEAPZLYPKFPMT-SSDOTTSWSA-N 386.342 -0.726 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 278736863 MLGLVAZKNGZBNO-CQSZACIVSA-N 384.370 -0.034 5 20 GBBD CCOC(=O)COCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 296759038 CNXYKXGZPMLTAU-UHFFFAOYSA-N 379.325 -0.113 5 20 GBBD Cc1c(C(=O)N[C@@H](C)CS(C)(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 325666889 FXQJDPAEEBGYJD-ZETCQYMHSA-N 379.416 -0.286 5 20 GBBD Cn1nnc(CNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 427926303 RCWCDWDMESMHJP-UHFFFAOYSA-N 377.317 -0.466 5 20 GBBD COC(=O)Cn1cc(CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])nn1 441871204 LAUUMNMQGONPOV-UHFFFAOYSA-N 385.358 -0.154 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CNC(=O)C3)cc2[N+](=O)[O-])CC1 498574505 DYHDJOLTWFKZGR-CYBMUJFWSA-N 375.385 -0.118 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CNC(=O)C3)cc2[N+](=O)[O-])CC1 498574508 DYHDJOLTWFKZGR-ZDUSSCGKSA-N 375.385 -0.118 5 20 GBBD O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 578997500 GWTCCOKJJGYPPP-ULQWKZLWSA-N 375.385 -0.451 5 20 GBBD CN1C(=O)CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 579492507 HPXNJAURXHYALR-UHFFFAOYSA-N 384.370 -0.910 5 20 GBBD C[C@@H](NC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CN(C)CCO1 588662866 ZNHPJUNFZXTLCL-QMTHXVAHSA-N 390.400 -0.077 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598900158 OGFUEAFTMQPBPQ-LLVKDONJSA-N 379.373 -0.232 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NCCCN2C(=O)CNC2=O)cc([N+](=O)[O-])c1 609383759 BDHDLAUJVKOTNK-UHFFFAOYSA-N 384.370 -0.330 5 20 GBBD COC(=O)CNC(=O)COC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 731102080 CDWXXHJVMOYQFV-UHFFFAOYSA-N 387.732 -0.190 5 20 GBBD CC1(Cn2cc(C(=O)NS(=O)(=O)c3cccnc3[N+](=O)[O-])nn2)COC1 851328683 NGGDXMWGIIRGIL-UHFFFAOYSA-N 382.358 -0.264 5 20 GBBD C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1323035653 SLOMKIQYOQTXOI-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD Cn1c(-c2nc[nH]c2[N+](=O)[O-])nnc1N1CCN(CC(=O)N2CCCC2)CC1 1344597248 OXAZTPDSIXEYHK-UHFFFAOYSA-N 389.420 -0.142 5 20 GBBD CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)C1 1792357350 XJZJGMYUYLHYED-JJLQDPRZSA-N 378.385 -0.047 5 20 GBBD COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389728 ZMZOYQMKQZZWPI-LLVKDONJSA-N 394.388 -0.714 5 20 GBBD COC(=O)c1cc(C(=O)Nc2cnn(CC(=O)NCCO)c2)cc([N+](=O)[O-])c1 272260628 QJFBTYBXNQJLEU-UHFFFAOYSA-N 391.340 -0.061 5 20 GBBD O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273339634 KWLKRQAHNQDSDL-UHFFFAOYSA-N 380.386 -0.212 5 20 GBBD COc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] 275170810 VJSWCXIFRZVTBB-KCJUWKMLSA-N 387.370 -0.057 5 20 GBBD COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 275536647 KRRXZIIPSVBURU-WFASDCNBSA-N 395.368 -0.142 5 20 GBBD O=C(N[C@@H]1COC[C@H]1O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 297107100 XTIATHWUAJUUCL-HZSPNIEDSA-N 385.398 -0.376 5 20 GBBD CN(C)C(=O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 299277393 CSDSPDCKIAYXSK-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD Cc1c(C(=O)N[C@H](C)CS(C)(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 325666888 FXQJDPAEEBGYJD-SSDOTTSWSA-N 379.416 -0.286 5 20 GBBD COCCNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 328359983 INEOOCFNJMNKEZ-UHFFFAOYSA-N 375.359 -0.578 5 20 GBBD COc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] 479893439 XORMRLZXHWHAQV-UONOGXRCSA-N 399.425 -0.481 5 20 GBBD CCS(=O)(=O)N(C)CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 544479983 IOHQFYLXLKXLTI-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(OCCO)CCOC1 595127077 ZEFFQTSAWGYSLP-MRXNPFEDSA-N 383.357 -0.174 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 783785081 HYYKIHVCSRCIBZ-MEBBXXQBSA-N 384.414 -0.115 5 20 GBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 809838355 WEXOSZIIAKDWHV-SECBINFHSA-N 382.192 -0.258 5 20 GBBD CCOC[C@H](O)CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821367705 MBGMUQAILVDVGY-LLVKDONJSA-N 378.393 -0.311 5 20 GBBD O=C(O)CNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 821533063 YOJABTAXBCBYNV-QMMMGPOBSA-N 383.288 -0.169 5 20 GBBD CC1(Cn2cc(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cn3)nn2)COC1 847893919 ZVOZWTOCOVZQEC-UHFFFAOYSA-N 382.358 -0.264 5 20 GBBD Cn1c(C[N+](=O)[O-])nnc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1123073517 ATDGXMPNCVPBJH-UHFFFAOYSA-N 391.413 -0.137 5 20 GBBD NC(=O)CC(=O)N1C[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@@H]2C1 1606412032 HMKGSPGPEFJJPN-PHIMTYICSA-N 386.372 -0.455 5 20 GBBD C/C(=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C(=O)O 1779394802 VDZFNOMQGNTUQH-DIEDAUMRSA-N 393.356 -0.208 5 20 GBBD CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415574 ICJNKKBKTXWORP-INIZCTEOSA-N 379.373 -0.545 5 20 GBBD O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CN1 1841110760 FTMFAZOHFUWCPP-LBPRGKRZSA-N 390.400 -0.479 5 20 GBBD C[C@@H](C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)n1cnnn1 1846644099 FGTQPAPQTNTOAL-NSHDSACASA-N 389.376 -0.758 5 20 GBBD CCNC(=O)[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265342555 YRRPNMHOYYYKKI-SNVBAGLBSA-N 387.418 -0.303 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 269287566 CHBCGBJNBPAAFR-CZUORRHYSA-N 392.324 -0.125 5 20 GBBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCN1CCNC(=O)C1 272627047 AAOULASQKUQSNO-UHFFFAOYSA-N 383.792 -0.474 5 20 GBBD CNS(=O)(=O)N1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 288414864 LVLZGIHLQGUDIC-UHFFFAOYSA-N 384.461 -0.354 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN3C(=O)OC[C@H]3C2)cc1[N+](=O)[O-] 369768515 XHTLWUJYWDTSTD-LLVKDONJSA-N 378.341 -0.004 5 20 GBBD COCC1(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 451112467 WVMGRYBNPHVBBP-UHFFFAOYSA-N 393.443 -0.029 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 596074397 UVRBHUDGXCDRCD-UHFFFAOYSA-N 385.450 -0.814 5 20 GBBD COc1ccc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 599489514 YPXRVPRACHZCQR-UHFFFAOYSA-N 394.431 -0.450 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 600324146 DLBOTEXCXDASRN-JTQLQIEISA-N 386.386 -0.448 5 20 GBBD COCC(=O)N(C)CC(=O)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 759180925 LECSMZJNIHXJLY-UHFFFAOYSA-N 375.359 -0.487 5 20 GBBD CS(=O)(=O)CCn1cccc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1=O 760797727 ZYNOIWUCDWWECT-UHFFFAOYSA-N 398.401 -0.181 5 20 GBBD O=C(CN1CCCS1(=O)=O)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 917452676 JHNJZTNXGARFQG-UHFFFAOYSA-N 381.363 -0.426 5 20 GBBD C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1324650330 PWHLURPLAHKLQH-SNVBAGLBSA-N 385.398 -0.266 5 20 GBBD CCN([C@@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1609221109 GYHQCVAJJSWBLN-SECBINFHSA-N 381.374 -0.326 5 20 GBBD O=C(Cn1cnnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796849900 ICNHBGVGAGGOLP-ILWJIGKKSA-N 375.349 -0.744 5 20 GBBD CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800539395 FLUIOYDOAFKENV-PTEHBNRSSA-N 394.388 -0.953 5 20 GBBD Cc1c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-] 3467833 LFMVIIPAOVLQHV-UHFFFAOYSA-N 376.325 -0.077 5 20 GBBD CC(=O)NCCNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 54039547 ZLZHAMSDVUKUIC-UHFFFAOYSA-N 387.418 -0.155 5 20 GBBD CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 270831541 HTMFQYBAWHFZDH-UHFFFAOYSA-N 375.407 -0.170 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1[N+](=O)[O-] 270836027 DXLFESOTTKYPPF-LLVKDONJSA-N 394.384 -0.615 5 20 GBBD COCCN(CC(=O)OC)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 270984613 DFMGWVPVWOVZGF-UHFFFAOYSA-N 383.357 -0.019 5 20 GBBD Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1[N+](=O)[O-] 276902729 VYVBNXYXNGHBSI-NSHDSACASA-N 382.398 -0.457 5 20 GBBD COCC[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 281570455 LKKXXAXPHXRMFL-LLVKDONJSA-N 375.403 -0.271 5 20 GBBD Cc1c(C(=O)NC[C@@H](C)N2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 462090560 FBUWXHVSCTXTQX-LLVKDONJSA-N 399.473 -0.084 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 536377867 ILSPIPMSLQAKMO-HNNXBMFYSA-N 393.444 -0.379 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(Cc2nc[nH]n2)CC1 593859510 VLTGEQJDKOUJJC-UHFFFAOYSA-N 399.367 -0.347 5 20 GBBD N[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 598730986 FNRNAPUZVLIJBY-SCLBCKFNSA-N 388.428 -0.022 5 20 GBBD O=C(O[C@@H]1CCNC1=O)c1cc(C(=O)O[C@@H]2CCNC2=O)cc([N+](=O)[O-])c1 764573105 CWOABBSMWLWWPR-VXGBXAGGSA-N 377.309 -0.315 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1C 839211648 QHXLCHCKVLOBDS-CYBMUJFWSA-N 389.412 -0.068 5 20 GBBD COC[C@@H](CS(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)OC 853204179 MYOXEDNOOBVZID-LBPRGKRZSA-N 399.385 -0.104 5 20 GBBD O=C(NCCCN1CCOCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1116957862 DFPAMFUYLCJAGY-UHFFFAOYSA-N 380.401 -0.072 5 20 GBBD O=C(NCCNC(=O)C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1117160869 UNOLVVHZLITAJQ-UHFFFAOYSA-N 390.400 -0.719 5 20 GBBD O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CN1C1CC1 1607047381 LPIVLJSRLRSNSP-UHFFFAOYSA-N 379.358 -0.272 5 20 GBBD O=C(Cn1cnnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794276636 BVGCIGYPUPYLIN-ZSBIGDGJSA-N 389.376 -0.884 5 20 GBBD Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798744193 VDFRZPLKUBMFDE-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411925 UYLBRGPLRNACPO-LLVKDONJSA-N 396.360 -0.801 5 20 GBBD Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] 275974965 HDKBXYWKANLJGX-AWEZNQCLSA-N 380.401 -0.007 5 20 GBBD COC[C@H](CNC(=O)c1cc([N+](=O)[O-])[nH]n1)NC(=O)c1cc([N+](=O)[O-])[nH]n1 286815021 PXGSKAGDQZXIIF-LURJTMIESA-N 382.293 -0.876 5 20 GBBD CS(=O)(=O)NCCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 298267791 ALIKBKHXOSLKMK-UHFFFAOYSA-N 390.443 -0.159 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@H](O)C[C@@H]1CO 367168868 XUKLPLMANCDBQL-VXGBXAGGSA-N 387.414 -0.452 5 20 GBBD Cc1nncn1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 472150622 CEPPHRNDEDUBCC-UHFFFAOYSA-N 382.402 -0.020 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CS(=O)(=O)CCO1 509600371 LOEXWCKEBPDKIC-CYBMUJFWSA-N 385.398 -0.356 5 20 GBBD NC(=O)N1CCN2C(=O)N(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 521479133 WKYIKGAWKUKHIW-DGCLKSJQSA-N 393.356 -0.638 5 20 GBBD CNS(=O)(=O)C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 549617292 IRAYIDDKOCHQRW-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 551712423 MMWRVHUENZIZCE-UHFFFAOYSA-N 387.356 0.076 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)O1 565742901 RSKMHNUWLBGDAG-KBPBESRZSA-N 388.384 0.489 5 20 GBBD Nc1nc(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1 584295933 WFFRDQYDAAXKDW-UHFFFAOYSA-N 389.372 0.007 5 20 GBBD C[C@@H](O)c1cn(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 756319825 NAASZYBEIYRDEB-SNVBAGLBSA-N 383.386 -0.170 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 824153091 AWOHUXJZCOUNPE-AWEZNQCLSA-N 378.385 -0.176 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 826026981 GTCAIFDFCFPDEL-YOEHRIQHSA-N 392.412 -0.323 5 20 GBBD O=C(NCC(=O)N1CCOCC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1346238294 BKHLWWBTQFKCHU-UHFFFAOYSA-N 392.368 -0.841 5 20 GBBD Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n1 1779382139 AUFGRAONDSGARR-OAHLLOKOSA-N 390.360 -0.796 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccccc1[N+](=O)[O-] 45832147 IQTPWBXMPXGDTF-LLVKDONJSA-N 385.398 -0.265 5 20 GBBD NC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 263646222 AQZZMPQWLSYEHI-UHFFFAOYSA-N 385.402 -0.514 5 20 GBBD CN1N=C(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1=O 265236159 DWOHZQKZDRTOLD-UHFFFAOYSA-N 383.386 -0.403 5 20 GBBD O=[N+]([O-])c1c(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2sccn12 270873772 AFQLPRLSFPCLAA-UWVGGRQHSA-N 387.443 -0.416 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(=O)O)C[C@H]1C(N)=O 275075442 HRGYGXPSMQCUKT-WPRPVWTQSA-N 387.370 -0.057 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 375554077 YCFNIKZCVSVRNV-UHFFFAOYSA-N 393.747 -0.039 5 20 GBBD COc1cc(OCC(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424235292 FZHHUMHYNNRQQM-LBPRGKRZSA-N 388.354 -0.308 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2ncnc2C1 473903384 GYUNHJDZWLJOEO-UHFFFAOYSA-N 395.401 -0.310 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 585795713 WTLSLQNBVOHTKQ-PXAZEXFGSA-N 388.384 -0.032 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(=O)(=O)NC1CC1 619475716 GYJSWOSZMYAUDY-UHFFFAOYSA-N 379.416 -0.037 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCN1C(=O)CNC1=O 733270835 MWYCCFVFJIDKLA-UHFFFAOYSA-N 380.313 -0.537 5 20 GBBD CNC(=O)[C@H](O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 757693378 MWWJDHROTJLNGJ-GFCCVEGCSA-N 388.402 -0.866 5 20 GBBD NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826391174 ZFWLLWKNMSDRQN-MRVPVSSYSA-N 399.414 -0.634 5 20 GBBD CNS(=O)(=O)CCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 1322719760 WFJFVJRWKZRALE-UHFFFAOYSA-N 384.414 -0.249 5 20 GBBD Cn1cc(N2CCN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)CC2=O)cn1 1327437156 NDGXIBWDYUQWEP-UHFFFAOYSA-N 386.368 -0.180 5 20 GBBD CN1CCN(C(=O)CCNC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1345010299 JGVCVHCRJDLZSE-UHFFFAOYSA-N 391.428 -0.466 5 20 GBBD O=C1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3-c3nn[nH]n3)CCN12 1593393447 JHOACNQCVPCJME-JTQLQIEISA-N 393.385 -0.230 5 20 GBBD COCC1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1605068334 UWZBSMKEASXODQ-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1609477441 XHLVJCHDSNYFRR-UHFFFAOYSA-N 387.312 -0.450 5 20 GBBD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)n1 1794587996 IPMVWXCXNQWFEZ-DDFAGTSDSA-N 390.356 -0.167 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 18259767 QOEJXLASBWLDDA-UHFFFAOYSA-N 396.381 -0.705 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 263682195 NSFWOMHWUOOVED-ZDUSSCGKSA-N 399.473 -0.375 5 20 GBBD COC[C@@H](CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OC 272689740 CDTONTGJZVLMKT-GFCCVEGCSA-N 390.418 -0.166 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 273356803 PZFHABDTFQPLIL-QWHCGFSZSA-N 388.446 -0.160 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] 279455657 KSNFEWWWNCDUCI-KRWDZBQOSA-N 389.368 -0.166 5 20 GBBD CC(C)N=c1[nH]c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(=NCCO)[nH]1 376430135 VXFMVYOSMZAULO-UHFFFAOYSA-N 391.436 -0.114 5 20 GBBD C[C@](O)(CO)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 480853253 PNCJLPNGBSFDNM-CQSZACIVSA-N 375.403 -0.229 5 20 GBBD CS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 506114468 AAOCVUOILDRNSL-UHFFFAOYSA-N 391.427 -0.528 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 508529716 CLQZTBZCYVWFSX-GFCCVEGCSA-N 382.421 -0.075 5 20 GBBD CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 591114403 WXGFZNOTDWTUGT-JTQLQIEISA-N 388.402 -0.241 5 20 GBBD CNS(=O)(=O)c1ccc(NC2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])c1 599182723 QUTDNHDJFGNHPJ-UHFFFAOYSA-N 393.447 -0.595 5 20 GBBD CNS(=O)(=O)c1ccc(NC2CC(NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 619745997 FGKQFQTVAQVMJP-UHFFFAOYSA-N 378.432 -0.005 5 20 GBBD O=C(O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 740056414 BMGOPUCYYZRKIT-CABCVRRESA-N 378.385 -0.237 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCNS(=O)(=O)c1cnn(C)c1 744870708 DVPJQPGWWDBVEE-UHFFFAOYSA-N 386.390 -0.255 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)CCNC(=O)N(C)C 1327347510 FGBFCRAXIXBZQR-UHFFFAOYSA-N 381.389 -0.051 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C 1328797304 QOEUDGYCYVCQBQ-AWEZNQCLSA-N 379.417 -0.418 5 20 GBBD CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844267174 WCBKNRAEPVUUCL-UHFFFAOYSA-N 395.445 -0.381 5 20 GBBD COc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)ccc1[N+](=O)[O-] 1846872663 JMBJVRZIGSTFTQ-LBPRGKRZSA-N 377.401 -0.294 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847854327 NIHHNYLYJDUXKK-DRZSPHRISA-N 378.389 -0.495 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 276998258 CVQUAYWEAQEHIV-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(S(N)(=O)=O)CC1 298060356 FRYZUGNRCGDOLU-UHFFFAOYSA-N 387.418 -0.247 5 20 GBBD CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O 298351157 ORINAVNCBZSXPJ-LBPRGKRZSA-N 396.425 -0.094 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 298425726 PVHAIOIBYCWNAK-UHFFFAOYSA-N 399.429 -0.241 5 20 GBBD CC(C)Cn1c(N)c(C(=O)Cn2cccc([N+](=O)[O-])c2=O)c(=O)n(C)c1=O 299660397 XKQMAOUERUUMCB-UHFFFAOYSA-N 377.357 -0.262 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CSCC(N)=O 421986544 KMWHVZGSXJJYFO-UHFFFAOYSA-N 390.443 -0.450 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])CC1 443461742 DYVDHTVUKJMOGN-UHFFFAOYSA-N 378.432 -0.494 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])n1 533631834 BJONGMLYULIIDO-SNVBAGLBSA-N 395.463 -0.239 5 20 GBBD COCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(N)=O 543165915 AHQQKFJFLJYFGB-SNVBAGLBSA-N 375.359 -0.450 5 20 GBBD Nc1nccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1[N+](=O)[O-] 547729674 ASKKWKXTNRVYCB-UHFFFAOYSA-N 398.379 0.074 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCNCC2)C1 572484253 JRUSIVCZAYFEHK-ZDUSSCGKSA-N 397.457 -0.621 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cccc([N+](=O)[O-])c1N1CCOCC1 574889402 YRWGWNWJFUMUAC-DGCLKSJQSA-N 385.398 -0.681 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 595130763 YEQBWRADZDGZSU-ZYHUDNBSSA-N 387.370 -0.530 5 20 GBBD COCCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 732520742 FRLCAIIOSULVGI-SECBINFHSA-N 375.359 -0.115 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 763824666 RUAXJWBGLWKJKK-UHFFFAOYSA-N 382.377 -0.309 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)n1 826363017 SRCPDYUDUSUFQY-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 846968323 PDOWDUKBYHXVEH-UHFFFAOYSA-N 380.452 -0.619 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCS(=O)(=O)C1 1317799040 AORJQOMESBINQL-SNVBAGLBSA-N 383.382 -0.129 5 20 GBBD C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838826696 VMSSVYIRUDZAKD-SJCJKPOMSA-N 395.416 -0.412 5 20 GBBD O=C(NC[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1)[C@@H]1CCCN1 261871221 ODZNFUFSIMKQIR-ZFWWWQNUSA-N 391.428 -0.137 5 20 GBBD CN1CC(=O)N(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 265884641 NNEBLOOSPHQSFG-UHFFFAOYSA-N 389.368 -0.227 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 281168081 XMWRGYOPYITSRS-UHFFFAOYSA-N 382.421 -0.570 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 288322810 UWRSOWJTZDMSNK-CYBMUJFWSA-N 385.402 -0.400 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H](C)CO 297708122 IUWDEAPFKWBKAS-STQMWFEESA-N 395.416 -0.771 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 299646587 USORVTZWEHKQMD-HUUCEWRRSA-N 399.425 -0.412 5 20 GBBD Cn1cnn(CC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1=O 485116216 JVBYPDBYIYQUFB-UHFFFAOYSA-N 398.401 -0.878 5 20 GBBD C[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)N(C)C 559450404 NKBCCYCMSUBDSU-CYBMUJFWSA-N 391.428 -0.055 5 20 GBBD Cc1[nH]c(=NCC[C@]2(O)CCOC2)[nH]c(=NCC[C@]2(O)CCOC2)c1[N+](=O)[O-] 593494735 ICLGXOMGRLDOCX-IRXDYDNUSA-N 397.432 -0.556 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 598031461 XDWIPNOTTUPYFP-QWHCGFSZSA-N 381.370 -0.283 5 20 GBBD CCc1nc(CN2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CC2)no1 599234767 OQDREUIWBOKPJH-UHFFFAOYSA-N 385.406 -0.220 5 20 GBBD O=C(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NCCN1CCOCC1 609531894 AIXFTPGWDDAXPZ-UHFFFAOYSA-N 394.384 -0.456 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 782882247 MJHNHNRANVVGNN-LLVKDONJSA-N 384.414 -0.096 5 20 GBBD CC(C)(C)OC(=O)C(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 844340209 MIAKXLUVEVQJJR-ZDUSSCGKSA-N 383.405 -0.362 5 20 GBBD C[C@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 847893623 QJCPFZLSQUPCLC-CQSZACIVSA-N 397.369 -0.485 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1345843895 AVNMYTKUCNXTBX-JSGCOSHPSA-N 379.369 -0.364 5 20 GBBD CC1(C)OC[C@H](CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 1346788912 WLHXWSBNYIKLNR-ZDUSSCGKSA-N 393.400 -0.094 5 20 GBBD CN1CCN(C)[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1579374517 AQWYBIBEPVGASI-LLVKDONJSA-N 396.433 -0.701 5 20 GBBD C[C@H](C(=O)NC1CC1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1588971874 AGGTZNAKBPAQLW-SNVBAGLBSA-N 387.404 -0.041 5 20 GBBD CN1CC2(CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3-c3nn[nH]n3)C2)OC1=O 1591170481 GQHYQAHAEWSTOT-UHFFFAOYSA-N 395.357 -0.400 5 20 GBBD C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789391073 ZFDRAAMFKSYUBK-MNXVOIDGSA-N 393.400 -0.349 5 20 GBBD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)C1 1841876960 ZFECSXMFDNMTLD-UHFFFAOYSA-N 392.391 -0.037 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 274131872 WGBAHPFTPHDXQY-LLVKDONJSA-N 392.411 -0.136 5 20 GBBD O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)N2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423692252 JFSMUGFDKHAGAO-KGLIPLIRSA-N 388.428 -0.009 5 20 GBBD CN(C)C[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 502918918 KLCLUHDUWOOHOJ-OAHLLOKOSA-N 388.446 -0.308 5 20 GBBD CCN1C[C@H](CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1=O 593933795 DRNYJWBQXCNTEQ-LBPRGKRZSA-N 392.416 -0.061 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 598030938 VNAQUFQPLPOEHB-ONGXEEELSA-N 392.411 -0.460 5 20 GBBD O=C(NCCCn1cncn1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609745053 XNZQYIHIROUCOK-UHFFFAOYSA-N 397.417 -0.146 5 20 GBBD Cn1c(S)nnc1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 731438403 IHSCCVVPTIDYAU-UHFFFAOYSA-N 376.354 -0.076 5 20 GBBD CS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733050469 NWLUMWGIRPNCLD-LLVKDONJSA-N 377.400 -0.176 5 20 GBBD Cn1cc([C@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 826359340 CZWPORICVCPMRQ-SNVBAGLBSA-N 394.373 -0.480 5 20 GBBD CN1CC[C@@H](C(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 861407140 QMAFKKYFUBEYPT-LLVKDONJSA-N 385.398 -0.027 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cnoc1 1796525034 NADDMYIEOXMMMF-JJLQDPRZSA-N 390.356 -0.317 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 16738351 CYXNKQRZXZUEEK-UHFFFAOYSA-N 378.432 -0.416 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 26558374 BQSDLRLQCLEMPD-UHFFFAOYSA-N 384.414 -0.182 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1csc([N+](=O)[O-])c1 264212921 UHJAWSFUYGPVTF-QWRGUYRKSA-N 375.428 -0.116 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 272415051 HECRRSJZCKEYKJ-ZDUSSCGKSA-N 385.398 -0.169 5 20 GBBD COC[C@H](CO)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 280192533 IVOUYPHXWJHMKI-LBPRGKRZSA-N 388.446 -0.050 5 20 GBBD C[C@@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 376873018 WTRWUUNZCJLRJH-LOWVWBTDSA-N 387.414 -0.394 5 20 GBBD O=C(NC[C@@H]1CCCN1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419901207 SUTQZIRJFMDZKW-NSHDSACASA-N 395.441 -0.191 5 20 GBBD O=C1NC(=O)[C@]2(CCCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)N1 447743647 HOFRXQZQKSBPBO-QGZVFWFLSA-N 389.368 -0.085 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c(C)c([N+](=O)[O-])c1 487829313 BPFMWOOZIBAQCO-NSHDSACASA-N 382.373 -0.333 5 20 GBBD Cn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 531891168 ULIHCGCXMYSEJT-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 542238646 IRHJDQYMYAQMIT-SECBINFHSA-N 393.399 -0.567 5 20 GBBD CNc1nccc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1[N+](=O)[O-] 566445717 APSGWBMGWNVPEZ-INIZCTEOSA-N 376.373 0.482 5 20 GBBD COC(=O)[C@@H](CCF)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 593796819 NPWLZOLJDXEGJF-SECBINFHSA-N 377.350 -0.110 5 20 GBBD CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CC(N)=O)C(=O)C1 596263443 FXTJOBDHLPGUTF-UHFFFAOYSA-N 399.429 -0.583 5 20 GBBD CC(=O)N[C@H]1CCCN(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 748918575 WEIFEBXDJPGRTJ-LBPRGKRZSA-N 380.357 -0.573 5 20 GBBD CN1CCC(O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 826028696 GFLHPDXSFAOXKA-UHFFFAOYSA-N 397.417 -0.490 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 845505756 CMCFFRZBBUFRMP-UHFFFAOYSA-N 399.360 -0.067 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](CC(N)=O)C1 858822051 WFRFZEUOIISKGL-LLVKDONJSA-N 388.402 -0.143 5 20 GBBD C[C@@H](N)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1335392208 ONYOUFNOLLVVAS-GFCCVEGCSA-N 377.401 -0.315 5 20 GBBD O=C(COCCO)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1781313176 MZSHRLYJADZKRS-INIZCTEOSA-N 383.357 -0.360 5 20 GBBD O=C(CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC(F)(F)F 47179852 PYKJGFLIZKSABS-UHFFFAOYSA-N 388.258 -0.015 5 20 GBBD CN1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 57405059 IEKMJLYVXGABNX-NSHDSACASA-N 384.414 -0.142 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 264048000 LMFYAQKIKAAWQU-AAEUAGOBSA-N 385.398 -0.472 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc([N+](=O)[O-])ccc1N)C2 276298056 VFHHOVJIYCNCBK-UHFFFAOYSA-N 389.372 -0.721 5 20 GBBD CCN1CCO[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 369942451 MXHWJTDIKLPCBU-AWEZNQCLSA-N 386.430 -0.290 5 20 GBBD CCOC(=O)[C@H]1NCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 422933181 HKDQZPQRQZSYOB-KGLIPLIRSA-N 386.430 -0.244 5 20 GBBD N[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 423379248 MUGBOOPRRPDPMX-CQSZACIVSA-N 389.412 -0.171 5 20 GBBD CC(C)NS(=O)(=O)CCNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 520907281 BQQLRDOZWUGPEL-UHFFFAOYSA-N 386.386 -0.053 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1[N+](=O)[O-] 542106267 JDSUYMSYKFMNDF-UHFFFAOYSA-N 388.340 -0.122 5 20 GBBD COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] 542999578 GALNRIQUQGQCFX-QGZVFWFLSA-N 396.400 -0.259 5 20 GBBD CNc1nccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1[N+](=O)[O-] 578080891 FIIDLSYGTVEUQT-UHFFFAOYSA-N 397.457 0.367 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 593674369 QVZZSUMLWIPUJY-UHFFFAOYSA-N 386.386 -0.018 5 20 GBBD CO[C@@](C)(CO)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 594216029 PPOPVKOZQPBYMJ-CQSZACIVSA-N 390.418 -0.430 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(OCCO)CCOC1 597996919 RIXADQSNWWLTDA-PXAZEXFGSA-N 381.385 -0.003 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 598028551 OKLVERLFBYTWHL-HBNTYKKESA-N 389.434 -0.245 5 20 GBBD COC(=O)CCNC(=O)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 600504082 CEHGBGICBGZLOJ-UHFFFAOYSA-N 390.356 -0.025 5 20 GBBD CC(C)(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)n1cc([N+](=O)[O-])cn1 608812588 UDVMESQJSRXYPN-UHFFFAOYSA-N 388.450 -0.780 5 20 GBBD NC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 732072832 QJIKVHARVJBOAX-LBPRGKRZSA-N 393.400 -0.188 5 20 GBBD CC(=O)N1CCN(C(=O)[C@@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)C(C)C)CC1 919520684 DQRAGFLMQLQHCN-ZDUSSCGKSA-N 382.377 -0.555 5 20 GBBD O=C(N[C@H]1CCCS(=O)(=O)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1342117645 PYYOGZFCYIBMLL-NSHDSACASA-N 397.409 -0.122 5 20 GBBD O=C(O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] 1602199253 IAPRELHYVRATDE-ONGXEEELSA-N 394.315 -0.118 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1609230357 DVSLIBVNOHMFDL-UHFFFAOYSA-N 375.345 -0.013 5 20 GBBD O=C(O)[C@H]1[C@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1610732575 FWJHFYKULQDABV-IAQYHMDHSA-N 379.325 -0.243 5 20 GBBD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)n1ccnn1 1848163913 GGHNIPVTLZHLBQ-UBHSHLNASA-N 388.388 -0.154 5 20 GBBD O=[N+]([O-])c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])c1 271073815 WKJTXNZGRRSIPR-KBPBESRZSA-N 386.386 -0.217 5 20 GBBD COCC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 288435935 SDGQFKWOYKXVRM-SNVBAGLBSA-N 386.386 -0.170 5 20 GBBD COCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 298067411 AOBNEYRNZMGTOK-AWEZNQCLSA-N 399.425 -0.013 5 20 GBBD O=C(O)[C@@H]1Cn2c(O)nnc2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 424396185 WWFCKKKPWWBSNZ-NSHDSACASA-N 397.369 -0.267 5 20 GBBD O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471326013 GASBQAZPVXKBMC-GHMZBOCLSA-N 375.428 -0.428 5 20 GBBD O=C(NCCCn1ccnn1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 541372806 AIZBNYPUIUNZJV-UHFFFAOYSA-N 397.417 -0.146 5 20 GBBD CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 595278478 UFCLNGGGMLXVRI-ZNMIVQPWSA-N 389.412 -0.068 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] 597999382 WBLHXMHVMMLFJR-KRWDZBQOSA-N 397.384 -0.383 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCO[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 599187009 NNOLRFOQSXDZNS-LLVKDONJSA-N 380.357 -0.422 5 20 GBBD COCC(=O)N(C)CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 758784858 HUQYQODEFGRFTQ-UHFFFAOYSA-N 383.313 -0.090 5 20 GBBD CON1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 854863093 IFCOADZFSRMTHK-UHFFFAOYSA-N 387.418 -0.250 5 20 GBBD NC(=O)CN1CCC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 857708241 IDCDAVQJMOSDQY-UHFFFAOYSA-N 378.389 -0.218 5 20 GBBD CN(CCN1CCOCC1)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1261352722 CVSAEEJFRIETDY-UHFFFAOYSA-N 392.412 -0.025 5 20 GBBD CC(C)CN1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1=O 1323614933 CPQLOTHXPMNEDG-LBPRGKRZSA-N 380.405 -0.377 5 20 GBBD C[S@@](=O)c1ccc(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 1346967270 OPHUQGPRWAGNAS-AREMUKBSSA-N 379.398 -0.039 5 20 GBBD C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603696219 POZCKZYMQLVEPJ-KOLCDFICSA-N 398.401 -0.065 5 20 GBBD NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783151848 OVJYLQMLSOGNOD-MRXNPFEDSA-N 379.373 -0.368 5 20 GBBD CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1784411801 WTLNABKSWBOCJG-GVXVVHGQSA-N 393.400 -0.348 5 20 GBBD CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786853462 PMWGESNBHHKGFD-OBJOEFQTSA-N 394.432 -0.089 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834914768 GKQFISWWKLUDAQ-AWEZNQCLSA-N 389.315 -0.347 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844296553 LUPJGWSGGAWKTP-HNNXBMFYSA-N 393.400 -0.610 5 20 GBBD CNC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 68382838 SVYDAQPKRNPWTQ-UHFFFAOYSA-N 396.425 -0.046 5 20 GBBD CN(CC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 266220988 ARRWFGIBHRZSMK-GFCCVEGCSA-N 398.441 -0.159 5 20 GBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CC(=O)NC2CC2)CC1 269970977 OMCUDPAPAGYDLN-UHFFFAOYSA-N 383.430 -0.357 5 20 GBBD CN(CC(=O)N1CC[C@@H](NC(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 270628741 LFZAQAANPCDLAP-SNVBAGLBSA-N 385.402 -0.516 5 20 GBBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 275973359 UZZWWGVILYGIGC-VIFPVBQESA-N 395.759 -0.644 5 20 GBBD CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1=O 287528207 VWMIGDKMBUKWCA-SECBINFHSA-N 398.353 -0.413 5 20 GBBD CNC(=O)NC(=O)CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420976402 SVRDMKNFVGDMQA-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD CNCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 423705168 GWXORCKTJALOCH-UHFFFAOYSA-N 377.401 -0.443 5 20 GBBD O=C(C(=O)N1C[C@@H](O)[C@H](CO)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 459844393 HAGZINCOTQQMJJ-SWLSCSKDSA-N 378.385 -0.945 5 20 GBBD CCCn1c(N)c(N(CCOC)C(=O)Cn2cc([N+](=O)[O-])cn2)c(O)nc1=O 491117487 YHJSZDWCAVIKML-UHFFFAOYSA-N 395.376 -0.275 5 20 GBBD CC(=O)N1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 499136388 NCBACUNGSMFOFH-LBPRGKRZSA-N 384.414 -0.142 5 20 GBBD C[C@@]1(c2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)NC(=O)NC1=O 567891450 GHQANUPULDCPMH-PBHICJAKSA-N 388.384 -0.003 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@@]2(CO)C1 782974915 ZPFNYFYFUHJSMQ-ABAIWWIYSA-N 384.414 -0.103 5 20 GBBD O=C1OC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 823551648 YNYANKYHTNGXTI-MRVPVSSYSA-N 395.357 -0.400 5 20 GBBD O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 1335302279 XTHDRFBVWFUROL-ARFHVFGLSA-N 385.442 -0.284 5 20 GBBD CN(CCN1CCOCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591095789 JMGGCNJJXSDFIW-UHFFFAOYSA-N 397.417 -0.272 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1779395924 SDNKDQRQJAJDEM-JJTUWOBKSA-N 391.384 -0.346 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cnsn1 1794382355 QCNVTRGTXPHMJO-AKZRSSKFSA-N 393.385 -0.314 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 268809474 GQXWGJGQCHTUDF-OAHLLOKOSA-N 397.457 -0.015 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 298521865 ZQBLSBWGDOCZQJ-UHFFFAOYSA-N 398.441 -0.254 5 20 GBBD CNCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 423400682 WSDQTDBSMYBSMB-UHFFFAOYSA-N 377.401 -0.443 5 20 GBBD O=C(NCC(=O)N1CCN2C(=O)NC[C@@H]2C1)NCc1ccc([N+](=O)[O-])cc1 431602521 GUQWGKBKRKBJLA-CYBMUJFWSA-N 376.373 -0.370 5 20 GBBD O=C(C(=O)N1C[C@H](O)[C@@H](CO)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 460010642 HHKAXPOLBOREPL-DOMZBBRYSA-N 378.385 -0.945 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472616140 AOPWELHFGQNFOR-LBPRGKRZSA-N 395.347 -0.474 5 20 GBBD COc1c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cccc1[N+](=O)[O-] 475522512 ADWIZHAJBULYGE-UHFFFAOYSA-N 375.345 -0.426 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC(=O)N(C)C(=O)C1 517246052 JDHROHXCCLAIQW-SECBINFHSA-N 398.397 -0.134 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)C1 565060432 BFSKTRREKXPGKP-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O 578905636 DWILVPUMSAYUBY-NWDGAFQWSA-N 376.369 -0.321 5 20 GBBD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCCn1cnc([N+](=O)[O-])n1 749077672 XSVHZEHGMNGLGP-IQIPOGNMSA-N 379.329 -0.718 5 20 GBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 809835359 CMLFFSGYIUPLHM-SECBINFHSA-N 382.192 -0.258 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)c2cc(OC(F)F)n(C)n2)n1 861326755 NSHZCBFOLLPRGF-UHFFFAOYSA-N 380.289 -0.218 5 20 GBBD C[C@H](N)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1118962577 LNSCXFUVALNTQN-LBPRGKRZSA-N 377.401 -0.315 5 20 GBBD CN(C)CCN1CCC(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1321530642 UMTFXYYQXDARRB-UHFFFAOYSA-N 381.437 -0.950 5 20 GBBD CN(Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 1591136810 JOMARCJPIQDRBC-CQSZACIVSA-N 377.405 -0.100 5 20 GBBD NC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 1821740405 FEORPFHEHWYPGN-YUMQZZPRSA-N 393.429 -0.109 5 20 GBBD COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835232513 RQCXLGOYOQSCDO-INIZCTEOSA-N 397.388 -0.576 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1837793113 WWGYNWCYIQFRMN-GDLVEWKHSA-N 397.363 -0.254 5 20 GBBD Cc1noc(CC(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)n1 1843058389 QUZLMSWYISAQBW-UHFFFAOYSA-N 389.372 -0.071 5 20 GBBD CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844410854 WYTFLJMWOHDCRT-UHFFFAOYSA-N 379.377 -0.594 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 23225051 KPRMZXOUQMYGCH-MRVPVSSYSA-N 380.313 -0.293 5 20 GBBD O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 29965656 AURGTPIMFYZTQR-UHFFFAOYSA-N 393.381 -0.175 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)c1=O 267467364 VALPOAQTRGHJEO-JTQLQIEISA-N 380.357 -0.205 5 20 GBBD COc1cc(S(=O)(=O)NC[C@@](C)(O)CN2CCOCC2)ccc1[N+](=O)[O-] 443246967 IKIZGPFUBIOCJF-OAHLLOKOSA-N 389.430 -0.035 5 20 GBBD CC[C@@H](C)[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 514720569 XFGXOJRADFKZAI-YPMHNXCESA-N 382.421 -0.089 5 20 GBBD O=C1CN(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1 542834919 XXKHQMWCXFIINZ-UHFFFAOYSA-N 377.405 -0.747 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 600017333 WHEQHLZQHIXDEY-LLVKDONJSA-N 395.372 -0.302 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 611005528 NENIUEROWVWUIQ-WDEREUQCSA-N 388.450 -0.023 5 20 GBBD CNC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)C 826051348 KSHVMOOCFSFYCR-LLVKDONJSA-N 383.390 -0.176 5 20 GBBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1258340796 QBKGQGXXRNHISB-LLVKDONJSA-N 376.369 -0.031 5 20 GBBD CCN(C(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)[C@H]1CCS(=O)(=O)C1 1590667256 VTWFUBXEYCMHQY-IUCAKERBSA-N 398.405 -0.432 5 20 GBBD CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215119 ARAFOBCSVQSJOK-UBHSHLNASA-N 379.373 -0.640 5 20 GBBD CC[C@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786970406 GKAMATSNWQCIHZ-MNXVOIDGSA-N 394.432 -0.091 5 20 GBBD O=C1NC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]c2[N+](=O)[O-])O1 1796850005 ONUYFJFYAXSXLW-JXUBOQSCSA-N 378.345 -0.322 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010956 NEONQXZEXXQNAA-DDFAGTSDSA-N 387.356 -0.375 5 20 GBBD Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011063 XBYINGLIALXRLA-BZBKMWRSSA-N 390.360 -0.739 5 20 GBBD COC(=O)CNC(=O)[C@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 21654848 PHINJHUZWLIMGQ-QMMMGPOBSA-N 393.308 -0.588 5 20 GBBD O=C(NCCN1CCCS1(=O)=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 145555150 ALNKGWSDJVFNTM-UHFFFAOYSA-N 398.445 -0.143 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 266798961 BIYXAWHSRJXOGU-UHFFFAOYSA-N 392.459 -0.669 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCC(=O)NCC2CC2)c([N+](=O)[O-])c1 272181291 SPAAARYBFGPNKN-UHFFFAOYSA-N 399.429 -0.313 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 276319436 YNEHSTCXPHPCCU-UHFFFAOYSA-N 392.347 -0.164 5 20 GBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 276399900 ZASFBSWBMMQXNW-NSHDSACASA-N 394.203 -0.032 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 277745552 ITUPTXVKPNLJQW-KGLIPLIRSA-N 399.425 -0.481 5 20 GBBD COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 416316723 BWCIOZZSGKWXRM-CYBMUJFWSA-N 392.368 -0.395 5 20 GBBD COc1cc(OCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424235289 FZHHUMHYNNRQQM-GFCCVEGCSA-N 388.354 -0.308 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)[C@@H]1CCCO1 468672594 YRLAUIQOFQQTMC-KBPBESRZSA-N 387.414 -0.081 5 20 GBBD NS(=O)(=O)CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 471046732 ILXSHXKMXXQFMM-UHFFFAOYSA-N 385.446 -0.171 5 20 GBBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 584043379 IAMAGSWEZFECJU-OAHLLOKOSA-N 389.412 -0.366 5 20 GBBD C[C@@H]1C(=O)N(C)CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 591964873 XUGSIDPVGPZLID-SNVBAGLBSA-N 385.402 -0.297 5 20 GBBD COCc1nc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)n1 596426022 ZLBAACOTLXWBHU-UHFFFAOYSA-N 398.401 -0.422 5 20 GBBD CNC(=O)COc1cccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 599219702 GKLHSRRZRDATEE-UHFFFAOYSA-N 383.386 -0.068 5 20 GBBD CC(C)(C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)n1cc([N+](=O)[O-])cn1 608812746 CETBENFXEXXKIT-GFCCVEGCSA-N 385.446 -0.142 5 20 GBBD COCCNC(=O)[C@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 729045000 QISZNEPAASDJJO-VIFPVBQESA-N 379.325 -0.115 5 20 GBBD NC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 736109474 UDOZBRKYGQUKKF-LLVKDONJSA-N 399.429 -0.220 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 737766611 SKCMUYTXAFAZBL-SECBINFHSA-N 382.406 -0.216 5 20 GBBD COc1cc(OCC(=O)NS(=O)(=O)N2CCOCC2)ccc1[N+](=O)[O-] 747757399 NONVJZIPPZORMR-UHFFFAOYSA-N 375.359 -0.325 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 919507513 NILSGLVWVKROEE-UHFFFAOYSA-N 378.341 -0.721 5 20 GBBD O=C(C(=O)N1CCN2C(=O)NC[C@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1328566073 IEFKCBBAFISWJM-LBPRGKRZSA-N 389.368 -0.580 5 20 GBBD C[C@@](NC(=O)CN1CCS(=O)(=O)CC1)(C(=O)O)c1cccc([N+](=O)[O-])c1 1604275350 MNKCQPBHKINYHL-HNNXBMFYSA-N 385.398 -0.259 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841483189 AKJALFMZYJJYOJ-UHFFFAOYSA-N 392.372 -0.553 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1847819140 DDPXJYGZUUPTPP-VWYCJHECSA-N 399.429 -0.186 5 20 GBBD O=C1NC2(CCOCC2)C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 348578417 WBMGXARZAOOYSI-UHFFFAOYSA-N 398.397 -0.026 5 20 GBBD CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 425745062 RUNBGSCHIRCZBO-UHFFFAOYSA-N 390.356 0.047 5 20 GBBD COCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)OC 428517890 WPRHOLKBOLFGFJ-LLVKDONJSA-N 389.386 -0.141 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[S@@](=O)C1 475111083 PUXBGXJHQSPZCC-CCGUKBGLSA-N 390.443 -0.307 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCCCN1C(=O)NC2(CCCCC2)C1=O 476142985 HUJNIRGLXGFECE-UHFFFAOYSA-N 379.377 -0.053 5 20 GBBD CN(C)C(=O)COC1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 482250864 VPWKRZNAHANMSI-UHFFFAOYSA-N 390.352 -0.494 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCc3nnn(C)n3)cc2[N+](=O)[O-])CC1 486756518 UJRAFFKFQWBTLP-UHFFFAOYSA-N 388.388 -0.283 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCOCC1 517949917 IDJDNNSSAQZEDC-UHFFFAOYSA-N 386.430 -0.288 5 20 GBBD COC[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 531260203 CQQVQSSVQKUKLU-OAHLLOKOSA-N 387.414 -0.175 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c([N+](=O)[O-])n1 539221676 NCVIZTIGKREVBD-VHSXEESVSA-N 375.407 -0.275 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 594827168 TXWARSVTUHQPDO-ONGXEEELSA-N 380.400 -0.306 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCO1 600017756 ZURXZZQVNTYAPM-LBPRGKRZSA-N 379.373 -0.002 5 20 GBBD CN(CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1[N+](=O)[O-] 610290253 WSTWROYYXHTVOO-UHFFFAOYSA-N 385.446 -0.018 5 20 GBBD CNC(=O)[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 763699477 UQHZRDMANUVYGE-KGLIPLIRSA-N 378.385 -0.269 5 20 GBBD COC(=O)C1CCN(S(=O)(=O)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 780324056 JEXLOKMEBDLCTB-UHFFFAOYSA-N 375.363 -0.812 5 20 GBBD O=C(NCC(=O)N1CCOCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1258333209 OGJAFKQXXYLTMP-UHFFFAOYSA-N 376.369 -0.546 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCC[S@](=O)Cc1ccccc1 1322863872 WTQBTVMMFXNIGG-MHZLTWQESA-N 393.425 -0.027 5 20 GBBD O=C(NCCS(=O)(=O)C1CC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1325689067 XWUPQRMVJBSVQA-UHFFFAOYSA-N 397.409 -0.122 5 20 GBBD COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1793169430 CSHAGSWRJMFTQU-DDFAGTSDSA-N 382.373 -0.255 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 272926629 RKHXTRWDIWQYDF-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD CCN(CCO)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 274379385 IQIIPWTZFSQTEC-UHFFFAOYSA-N 375.403 -0.042 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 276560056 HFAREICOLVADEX-HZPDHXFCSA-N 392.412 -0.148 5 20 GBBD COCCCS(=O)(=O)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 290825393 TVHIEDUHTDSTJP-UHFFFAOYSA-N 387.418 -0.423 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 299497923 KDSHBFPELMKEAS-UHFFFAOYSA-N 380.405 -0.315 5 20 GBBD COC(=O)[C@H](C[C@H]1CCCOC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599456483 MBCIAFQDVYZYDL-ZJUUUORDSA-N 376.391 -0.035 5 20 GBBD COc1ccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1[N+](=O)[O-] 611874360 LAKASPIEAWXTRA-UHFFFAOYSA-N 388.402 -0.014 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)ccc1[N+](=O)[O-] 734736183 BQUUACGRYQZBAS-UHFFFAOYSA-N 377.400 -0.256 5 20 GBBD Cc1c(C(=O)OCC(=O)N2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 735541083 KXCWWSHWLOYBFS-UHFFFAOYSA-N 387.370 -0.434 5 20 GBBD NC(=O)c1ccc(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)nc1 822886042 ZITHCUSWGBLCCL-UHFFFAOYSA-N 396.371 -0.010 5 20 GBBD CC(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 918760273 UKVLOPIVAWTJRG-MRVPVSSYSA-N 384.320 -0.144 5 20 GBBD CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 1117561901 GNQPACLGGNBCEG-UONOGXRCSA-N 395.416 -0.314 5 20 GBBD CC(C)OCCN1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1347105459 PQNAWDRTAPKLIL-UHFFFAOYSA-N 382.421 -0.523 5 20 GBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)O)C3)ncc1[N+](=O)[O-] 1796603062 CUBMAIVWRDGRRN-MCYUEQNJSA-N 378.385 -0.118 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)O)C3)n1 1796719074 CTBRPLMZNAJMSZ-NJBDSQKTSA-N 394.384 -0.418 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)c2ccc[n+]([O-])c2)C1 1842145232 SLGMFSKBNFUNGV-UHFFFAOYSA-N 386.368 -0.058 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843333786 FACZCPILRXGORX-ZDUSSCGKSA-N 387.396 -0.512 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)c2cc[n+]([O-])cc2)C1 1844597698 AUHMWESJDCPFMF-UHFFFAOYSA-N 386.368 -0.058 5 20 GBBD O=C1OCCN1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847690365 PXJHOCQUNGGFMF-STQMWFEESA-N 392.372 -0.555 5 20 GBBD O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 23695759 RDSQBPBBTHWJKF-UHFFFAOYSA-N 398.441 -0.240 5 20 GBBD CCCS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265239211 FTOMPOKXYKHEGE-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCS(N)(=O)=O)CC1 266854911 GHUFJMPJLZKEIK-LBPRGKRZSA-N 385.446 -0.172 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCN(CCO)CC2)c(C)c([N+](=O)[O-])c1 276979999 ZFXMLLURAKPMPR-UHFFFAOYSA-N 394.384 -0.235 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)O)cc1[N+](=O)[O-] 277230910 IZTHRPZCCHPNHG-JTQLQIEISA-N 377.331 -0.113 5 20 GBBD Cc1cc(NC(=O)CN2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)no1 298717546 ZTHHWVPPSIPWEC-UHFFFAOYSA-N 377.361 -0.129 5 20 GBBD COC(=O)c1cn([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 368848109 UDOHDYZARVCMSI-AAEUAGOBSA-N 379.377 -0.133 5 20 GBBD C[C@H]1CO[C@H](CO)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 511332669 ILYDLDZZQJHFIK-AAEUAGOBSA-N 387.414 -0.129 5 20 GBBD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C1 523207408 CLQVANCGPVJAQH-NSHDSACASA-N 382.377 -0.554 5 20 GBBD COC[C@](C)(NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 540673433 WTVMQIJQIPJFMK-AWEZNQCLSA-N 389.386 -0.131 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] 543034057 IFECINCJEWXWLJ-LBPRGKRZSA-N 384.414 -0.087 5 20 GBBD O=C(NCc1nn[nH]n1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 609532947 SOTJGKLISREWTG-GFCCVEGCSA-N 395.401 -0.033 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c([N+](=O)[O-])n1 611106986 KSCFJTHNLWBRAI-UHFFFAOYSA-N 395.463 -0.144 5 20 GBBD O=C(NCC(=O)OCCN1C(=O)CNC1=O)NCc1ccc([N+](=O)[O-])cc1 748380892 WYQVYKGPCVFXFV-UHFFFAOYSA-N 379.329 -0.511 5 20 GBBD O=C(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 766908363 LNCKOBDQCQVKHL-SNVBAGLBSA-N 381.776 -0.171 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)S(N)(=O)=O 776817806 RGCWOAWNMBLGJB-MRVPVSSYSA-N 382.420 -0.134 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 820131957 HKSOIVIZUDJLNN-UHFFFAOYSA-N 389.376 -0.657 5 20 GBBD Cn1cc(N2C[C@H](C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])nc3)CC2=O)cn1 860589832 ODQAXKOMLDONGB-SECBINFHSA-N 394.369 -0.419 5 20 GBBD C[C@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215823 QDSOVDDTEMBBTQ-DHMWGJHJSA-N 394.432 -0.634 5 20 GBBD C[C@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786784208 ZBJWKNLIDITGQN-DHMWGJHJSA-N 394.432 -0.634 5 20 GBBD O=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4[N+](=O)[O-])[C@H]3C2)C1 1788814858 CTZHHPHRZGGSJY-WFBYXXMGSA-N 391.384 -0.110 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847168988 XRAWOPJIEICPNT-DCAQKATOSA-N 379.373 -0.404 5 20 GBBD COc1ccc(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 267435902 DQPYUMOBCNBUCA-SNVBAGLBSA-N 377.357 -0.816 5 20 GBBD COc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1[N+](=O)[O-] 272770410 FDXWHDVRACYPNK-UHFFFAOYSA-N 388.340 -0.011 5 20 GBBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C(=O)NC2CC2)CC1 276108997 VKILDFOXRQYTFB-UHFFFAOYSA-N 396.425 -0.075 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 283525909 LUPRFTHBWXPHJX-UHFFFAOYSA-N 378.432 -0.326 5 20 GBBD CC(C)S(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 291783359 AJTTXDAZSJYDOE-UHFFFAOYSA-N 393.443 -0.188 5 20 GBBD COc1cc(CCNC(=O)C(=O)NCC(F)(F)CN)c([N+](=O)[O-])cc1OC 419030815 UAXMHBQBXVPZNB-UHFFFAOYSA-N 390.343 -0.019 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CS(=O)(=O)CCO1 507885951 GJJGPBOFQFVIMF-SNVBAGLBSA-N 380.400 -0.305 5 20 GBBD CCN1CCN(C(=O)CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 557101078 VSBMQOIYHYKQNH-UHFFFAOYSA-N 391.428 -0.005 5 20 GBBD Cn1cc(C[C@@H](O)C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)cn1 565095470 YLAWLYPPTHNLIQ-OAHLLOKOSA-N 385.384 0.403 5 20 GBBD O=C(C(=O)N1CC[C@@H]2NCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 565298596 HWUJDKMTRIMGPT-ZFWWWQNUSA-N 388.428 -0.151 5 20 GBBD COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccnc(N)c1[N+](=O)[O-] 571818546 HNSOGUZDWHBQQZ-ZNSHCXBVSA-N 378.341 0.137 5 20 GBBD O=C(O)CSCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 579352617 HPJJHVCCHCIPRL-UHFFFAOYSA-N 377.400 -0.193 5 20 GBBD CCN1C(=O)[C@H]2CN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CCN2C1=O 610588953 LKBDUYRGETUULU-LLVKDONJSA-N 383.386 -0.285 5 20 GBBD C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748132230 GXLWUSPHZYIBOZ-NPNZPCOPSA-N 378.341 -0.115 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2C(=O)OC[C@@H]2C1 764136784 VRCRPMPIYZINKG-NSHDSACASA-N 376.325 -0.017 5 20 GBBD CCN(C(=O)[C@H](C)OC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCS(=O)(=O)C1 766966310 BUFJUVBVERYBJG-VHSXEESVSA-N 388.402 -0.091 5 20 GBBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCCS(=O)(=O)N3CCOCC3)cc21 804398363 GVYJGHQTNMONAD-UHFFFAOYSA-N 399.429 -0.141 5 20 GBBD NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1=O 839582363 FKOPTXRDQBKOMX-UHFFFAOYSA-N 383.748 -0.657 5 20 GBBD CN1CCC[C@@H](NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1=O 1349065493 DLAHFVHLUPYFDH-CQSZACIVSA-N 376.369 -0.079 5 20 GBBD CC(=O)NCC(=O)NCCN(c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C1CC1 1573520589 LJRSXFMGBKHDDD-UHFFFAOYSA-N 388.388 -0.004 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)nn1 1777131202 QGROUECNQBXVNV-UHFFFAOYSA-N 399.341 -0.350 5 20 GBBD COC[C@H](O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 265402601 PZVJLXRHJKWBOP-LLVKDONJSA-N 376.391 -0.820 5 20 GBBD COCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 298067415 AOBNEYRNZMGTOK-CQSZACIVSA-N 399.425 -0.013 5 20 GBBD COc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] 479893438 XORMRLZXHWHAQV-KGLIPLIRSA-N 399.425 -0.481 5 20 GBBD Cc1nncn1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 525354257 UPZKYXNKRHSNSJ-UHFFFAOYSA-N 382.402 -0.020 5 20 GBBD C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 565273633 CQBZQXFTTNTFRC-MHZLTWQESA-N 395.441 -0.334 5 20 GBBD CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594759986 NVCOETXIHWSXHM-NXEZZACHSA-N 378.432 -0.014 5 20 GBBD NC(=O)[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[nH]n2)cc1 737741600 PEPHPRFBGIQDJG-AWEZNQCLSA-N 399.323 -0.294 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NN1CC(=O)NC1=O 743287671 PBMCMWPEDSYCCM-SSDOTTSWSA-N 385.358 -0.378 5 20 GBBD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761424057 XSHIHQZVGJERIJ-JTQLQIEISA-N 399.385 -0.600 5 20 GBBD CCN(C(=O)[C@H](C)OC(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCS(=O)(=O)C1 766966307 BUFJUVBVERYBJG-UWVGGRQHSA-N 388.402 -0.091 5 20 GBBD O=C(C(=O)N1CCC[C@@H](O)C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1261300865 JWZZRZRGWGJGAM-OAHLLOKOSA-N 390.396 -0.138 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 1325224809 OAEGPKODRPWEFR-CQSZACIVSA-N 376.369 -0.547 5 20 GBBD O=C(O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1602063179 JIOOKVGSZVOJKW-UHFFFAOYSA-N 386.386 -0.898 5 20 GBBD CC(=O)NCC(=O)N(C)CCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1602940895 QITBLOKZALHNQJ-UHFFFAOYSA-N 376.377 -0.194 5 20 GBBD O=C(O)c1ccc([N+](=O)[O-])c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1608914724 HADMVWOLPZIDBN-UONOGXRCSA-N 385.398 -0.427 5 20 GBBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)n1cnnn1 1842000852 VHXAEAAADJHPHN-NSHDSACASA-N 389.376 -0.758 5 20 GBBD NC(=O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 57453964 STZKIEAZKDCFDQ-NSHDSACASA-N 399.429 -0.220 5 20 GBBD Cc1c(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] 267469039 OGSWLAHZPLFQSW-GFCCVEGCSA-N 375.385 -0.126 5 20 GBBD NS(=O)(=O)CCN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 267952698 QTUPIHIYNZNCKW-UHFFFAOYSA-N 386.430 -0.133 5 20 GBBD C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1nccn2cnnc12 269400061 YSIDIGCHYCSNDW-OCCSQVGLSA-N 387.404 -0.199 5 20 GBBD COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c([N+](=O)[O-])c1 275159339 SWGJGEAMMGRWFU-SNVBAGLBSA-N 394.383 -0.524 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 278880194 ZMWOKTPTSBBQEB-CQSZACIVSA-N 384.370 -0.034 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424396281 QCRWRVJKDSSLTG-LBPRGKRZSA-N 387.370 -0.003 5 20 GBBD CCn1cc(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CCN)c([N+](=O)[O-])n1 447250539 NFTPPCYVALYGNR-NSHDSACASA-N 388.450 -0.181 5 20 GBBD CN(C)C(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 462044473 JMALIYINMOKZJA-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD O=C(NCCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 489537810 IWIFSXYFLHTZDR-LBPRGKRZSA-N 375.341 -0.523 5 20 GBBD Cc1c(C(=O)NCC(=O)N2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 540716410 OTLVBHJCWCWXLG-UHFFFAOYSA-N 386.386 -0.861 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598899438 CNQBPRIAWSNPQZ-HNNXBMFYSA-N 395.416 -0.132 5 20 GBBD CNS(=O)(=O)CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 600665636 OPWFOLCZTRNJGF-UHFFFAOYSA-N 387.418 -0.551 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNS(=O)(=O)NC(C)C 619499713 PBCDPGCKKSBASQ-UHFFFAOYSA-N 396.447 -0.286 5 20 GBBD COC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(N)=O 760060186 MXRYSYKPBBAWDW-CYBMUJFWSA-N 393.400 -0.507 5 20 GBBD CCNS(=O)(=O)CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1326520090 ZXXKIAUKJIQPEB-UHFFFAOYSA-N 384.414 -0.465 5 20 GBBD COc1ccc(CNC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] 1327792885 WOHURQHOVKKGOQ-ZDUSSCGKSA-N 379.417 -0.418 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 1342058500 ZZWRMXQMIXKQCN-UHFFFAOYSA-N 394.384 -0.593 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N(CCO)C2CCOCC2)c1 1607079392 GWROBNKVHJYAJX-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779395064 LVGOYPFFNRHFFW-HNNXBMFYSA-N 396.360 -0.883 5 20 GBBD C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786784209 ZBJWKNLIDITGQN-JURCDPSOSA-N 394.432 -0.634 5 20 GBBD C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1789878339 KHPCZBOYVVBVOM-UHXUPSOCSA-N 393.400 -0.349 5 20 GBBD CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795590508 IRRZPQLOGZLIKB-FVCICTRLSA-N 394.432 -0.620 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C(N)=O)cc1[N+](=O)[O-] 298181807 ZZFMLEUFXBCBCN-VIFPVBQESA-N 387.418 -0.317 5 20 GBBD COc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] 299627821 QFNWIFSLOZIDQX-GXTWGEPZSA-N 399.425 -0.169 5 20 GBBD NC(=O)[C@H]1CC[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)O1 470804785 VKBYCKFWWJAIIN-GZMMTYOYSA-N 376.325 -0.660 5 20 GBBD O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CCN1 505565155 SXUHLHPQTPUNIQ-UHFFFAOYSA-N 394.369 -0.309 5 20 GBBD CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cn1 565187384 CBEBRDHVAODWHK-UHFFFAOYSA-N 376.377 -0.301 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)[C@@H]1CCCO1 600239298 SUUREWZBPHYYLM-KGLIPLIRSA-N 387.414 -0.081 5 20 GBBD O=C(O)COCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 743412069 PSUKDJXDMHPCHL-UHFFFAOYSA-N 387.370 -0.471 5 20 GBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 797301118 SZNYKHSSEIZCPO-SSDOTTSWSA-N 394.383 -0.381 5 20 GBBD Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 826279227 JTJUKRUGMBSDII-UHFFFAOYSA-N 392.357 -0.064 5 20 GBBD Cc1cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)ccc1[N+](=O)[O-] 918807712 MUXJIOFUTAKSLH-LLVKDONJSA-N 394.384 -0.231 5 20 GBBD O=C(NCc1nnc2n1CCOC2)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1329870307 XGMIKXIGYKXSNX-UHFFFAOYSA-N 386.368 -0.082 5 20 GBBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC([C@@H](O)C(=O)O)CC1 1608451926 XFTYXDAUPQJNAO-CQSZACIVSA-N 379.369 -0.062 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1780415902 KAHKAAKNDRQCKB-SJCJKPOMSA-N 375.385 -0.106 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)O)C3)C2)n1 1783524579 ZMYXOJIMVCCBAR-APPDUMDISA-N 394.384 -0.177 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784851069 UFOCZUWACHUNBG-JJTUWOBKSA-N 391.384 -0.346 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1840634682 CFNQLWIVOYYTEG-INIZCTEOSA-N 379.373 -0.202 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cc(CO)on2)C1 1844820680 IZJLAGWMZXDGRJ-UHFFFAOYSA-N 376.329 -0.071 5 20 GBBD CN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 265846397 YJPXAARJAYYRFP-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN2C(=O)NC[C@H]2C1 267633633 JYTXHZIQSFOSEX-NSHDSACASA-N 385.402 -0.010 5 20 GBBD COC(=O)C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 267858086 GNSYIUCQYRXNQR-SNVBAGLBSA-N 391.336 -0.019 5 20 GBBD COCCN(CC(=O)N(C)C)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 268686616 HOGYZHRRLYKOFN-UHFFFAOYSA-N 396.400 -0.104 5 20 GBBD CNC(=O)CCN(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 297712779 CPCSLKRDYWTNRZ-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD NC(=O)[C@H]1CC[C@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)O1 470804788 VKBYCKFWWJAIIN-LDYMZIIASA-N 376.325 -0.660 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CCC(=O)NC1=O 492573396 PREMDJNFPHSTDJ-IUCAKERBSA-N 398.397 -0.039 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] 493819796 NFUHGWNUWQPXDD-MRVPVSSYSA-N 398.390 -0.166 5 20 GBBD O=C1C[C@H](N(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C2CC2)C(=O)N1 524030648 DYWHQCBMESNWNS-ZDUSSCGKSA-N 389.368 -0.200 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 573183989 DXKMSBOKDIBNTN-QGZVFWFLSA-N 390.400 -0.638 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 583035286 ONSPVEPYOOIAKN-NEPJUHHUSA-N 391.384 -0.754 5 20 GBBD C[C@@H]1C(=O)N(C)CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 591933457 NLXYBEWZOIZXQH-SNVBAGLBSA-N 385.402 -0.297 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c1 593235606 JWEGYUUPFDHLOZ-LBPRGKRZSA-N 391.340 -0.092 5 20 GBBD COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 600011654 QTJBOOWLDLSPIH-BDAKNGLRSA-N 386.390 -0.844 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@](F)(CO)C1 619816418 VWFMGXIFGVVIRT-AWEZNQCLSA-N 390.393 -0.011 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCNC(=O)[C@@H]1CC(=O)O 737876837 CNSFZWVJHYNXQI-NSHDSACASA-N 395.324 -0.404 5 20 GBBD CN(C)C(=O)CNC(=S)NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 746343997 KFHJFXIWGSONTA-UHFFFAOYSA-N 375.432 -0.519 5 20 GBBD CS(=O)(=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826223054 ZLLDJDRWHFUSPH-UHFFFAOYSA-N 390.403 -0.512 5 20 GBBD O=C(O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)CC1 833175563 IXNUUNIVHVMBDP-UHFFFAOYSA-N 378.384 -0.095 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839300155 QZZMKIHIRIXKRI-CYBMUJFWSA-N 389.412 -0.020 5 20 GBBD O=C(CN1CCCS1(=O)=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 916785456 AXRDOBSYQZFLRI-UHFFFAOYSA-N 377.400 -0.424 5 20 GBBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 1117352735 YXFKYHLNJBBGAE-GFCCVEGCSA-N 377.357 -0.674 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCNC1=O 1325478910 VEEODMICIXEBKJ-OAHLLOKOSA-N 389.412 -0.020 5 20 GBBD CNC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCO1 1591210539 QVGPAIDOTYHUFI-GFCCVEGCSA-N 376.377 -0.095 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1605357602 RRKYASDZRDDYEM-UHFFFAOYSA-N 396.433 -0.236 5 20 GBBD O=C1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)N1 1779378643 FLADODQPAFGTGI-QLJPJBMISA-N 392.372 -0.960 5 20 GBBD O=C1NC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)O1 1780414264 QMKYPNCRVDQEGP-MEDUHNTESA-N 393.356 -0.525 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1783175741 FTPGPUKHETVGHX-QLJPJBMISA-N 394.388 -0.714 5 20 GBBD CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)COC1 1793999456 CLAPALNOHHOTQC-JJLQDPRZSA-N 393.400 -0.583 5 20 GBBD CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824285 YGVRCYFAXXMFBS-UHFFFAOYSA-N 391.384 -0.952 5 20 GBBD Cn1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nc[nH]c2[N+](=O)[O-])cc1O 1848327921 CWIJWLBPRIRTFI-UWVGGRQHSA-N 375.345 -0.114 5 20 GBBD C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN1S(C)(=O)=O 273430439 AIBAODYLOTWAGJ-VIFPVBQESA-N 378.432 -0.288 5 20 GBBD CS(=O)(=O)CCCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 424917980 ASDVYAVTANGTOP-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD CN(C)S(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 597701331 VKGBBHJILKAXCQ-UHFFFAOYSA-N 399.429 -0.725 5 20 GBBD C[S@](=O)CCN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 741749874 RQNNINRZVZMQRV-QHCPKHFHSA-N 376.460 -0.257 5 20 GBBD CN(C)c1cc(F)c(C(=O)NCCOCCS(N)(=O)=O)cc1[N+](=O)[O-] 857255495 SJPSYDKHXFJLDQ-UHFFFAOYSA-N 378.382 -0.165 5 20 GBBD CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1117983681 GPODCGVDOXXJGQ-UHFFFAOYSA-N 393.400 -0.086 5 20 GBBD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)cn1 1794749294 IVRPTAQRSIEKTC-ZSBIGDGJSA-N 389.372 -0.432 5 20 GBBD C[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1801956094 ADEOAXVEZBHSPB-FVCCEPFGSA-N 378.385 -0.225 5 20 GBBD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2)n1cnnn1 1803089270 GPCYGSSVWHWHNP-CHWFTXMASA-N 389.376 -0.183 5 20 GBBD Cn1c(=O)c2c(nc(Cl)n2CCn2cc([N+](=O)[O-])ccc2=O)n(C)c1=O 121826075 HGEMAFDFORZADN-UHFFFAOYSA-N 380.748 -0.143 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc1[N+](=O)[O-] 263768042 MMWDSMFUWQUFQY-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 479366601 PYABLNXAMFYVEY-UHFFFAOYSA-N 378.389 -0.083 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 492463991 RNLPUYWDTCCCEZ-UHFFFAOYSA-N 380.386 -0.203 5 20 GBBD CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 497894753 FSKLJHXMLVTDMX-CYBMUJFWSA-N 391.428 -0.007 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 498777236 ZWMPFGRDBUVCFN-RYUDHWBXSA-N 382.421 -0.121 5 20 GBBD O=C(Nc1nc(N2CCNCC2)n[nH]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 567831075 LAAOLEBRPOIWKP-UHFFFAOYSA-N 384.360 -0.045 5 20 GBBD CN(CCCNC(=O)CSc1ncc([N+](=O)[O-])c(N)n1)S(C)(=O)=O 577231539 LUFRBSRRHJHEGR-UHFFFAOYSA-N 378.436 -0.543 5 20 GBBD O=C(C(=O)N1CC[C@@H]2CCN[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 591582407 HEVINRBVLLXTHJ-UONOGXRCSA-N 388.428 -0.151 5 20 GBBD O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCS(=O)(=O)N1CCOCC1 818988355 IVVCKROZWFOBLU-ZDUSSCGKSA-N 389.430 -0.414 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)OCCN1C(=O)c2ccccc2S1(=O)=O 919521932 YJFJPTRKGHYEMK-UHFFFAOYSA-N 381.326 -0.426 5 20 GBBD O=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1262492730 OBHQOYUFUHXFSY-LBPRGKRZSA-N 396.425 -0.453 5 20 GBBD CN(C)C(=O)CN1CCN(c2nnc(Cc3ccc([N+](=O)[O-])cn3)n2C)CC1 1348329489 ZNCMOPXLKJKAAG-UHFFFAOYSA-N 388.432 -0.081 5 20 GBBD COC[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1605073392 AIPABYVEVTVKCE-SECBINFHSA-N 384.374 -0.189 5 20 GBBD CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798745406 OWORIFMCPNYAMH-DDFAGTSDSA-N 379.373 -0.786 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1)c1nc[nH]c1[N+](=O)[O-] 1799350681 JFOQYLWUUZYOBU-ILWJIGKKSA-N 387.356 -0.033 5 20 GBBD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1F 1800400473 GVTNFXWRPXYSPX-DPIQGUFMSA-N 380.376 -0.175 5 20 GBBD O=C(CN1CCOC1=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388056 QJLVTBJZKFPFET-UHFFFAOYSA-N 378.345 -0.413 5 20 GBBD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845310334 LDINHCKOZZRPHQ-UHFFFAOYSA-N 376.373 -0.400 5 20 GBBD O=C(COC(=O)CN1C(=O)CCC1=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 26492559 MLHRJCRIYGYRMF-UHFFFAOYSA-N 379.281 -0.046 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 267490355 VOIZXZOROULSEK-LLVKDONJSA-N 377.357 -0.816 5 20 GBBD C[C@@H](C[S@@](C)=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 273130716 SYQIXPDQXQYKDO-CCGUKBGLSA-N 392.459 -0.061 5 20 GBBD CCS(=O)(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 276277046 WZOHPJPRNAXZQD-UHFFFAOYSA-N 395.415 -0.401 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O 442279394 VEHJKUADNSBXIC-LLVKDONJSA-N 380.357 -0.359 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)C3COC3)CC2)c1 493680173 MXRHTQCWVVNBPR-UHFFFAOYSA-N 391.427 -0.370 5 20 GBBD COC(=O)Cn1cc(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nn1 513806564 LBWYYCHJZNZJNQ-UHFFFAOYSA-N 397.369 -0.307 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 568020489 XOFVQGAECHYUDA-LLVKDONJSA-N 386.434 -0.259 5 20 GBBD COCCOC[C@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1323160311 UCEHISWWDHYTMW-ZDUSSCGKSA-N 395.416 -0.194 5 20 GBBD CC[C@@H](C)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCCN1CCOCC1 264813329 YJPBNGUIVZMLCZ-CJNGLKHVSA-N 396.448 -0.229 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 270888323 PFPORQSVAGNUKF-JTQLQIEISA-N 390.352 -0.758 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 283623313 WCOQNXIGLRLODU-UHFFFAOYSA-N 378.432 -0.326 5 20 GBBD CN(CCc1ccccc1[N+](=O)[O-])CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 285450605 YKLRXESRPZUYJL-UHFFFAOYSA-N 375.385 -0.068 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 286132297 MYBQZQJQCSYSKU-UHFFFAOYSA-N 384.462 -0.209 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 411636395 DIOHBONPTIACOL-UHFFFAOYSA-N 377.357 -0.694 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 413053658 OGKZODWLFPXFRX-UHFFFAOYSA-N 388.425 -0.257 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424390722 KZDBGZJOOBYHKQ-SECBINFHSA-N 383.342 -0.142 5 20 GBBD Cn1nncc1C(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 803318325 SRQUMWCTFUHXGA-UHFFFAOYSA-N 397.369 -0.182 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCO1 817917819 HZYBVPNBONCVDX-MRXNPFEDSA-N 391.428 -0.180 5 20 GBBD O=[N+]([O-])c1ccc(NCCn2cnnn2)c(S(=O)(=O)N2CCOCC2)c1 845576067 TTZQTENASVSFGI-UHFFFAOYSA-N 383.390 -0.286 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1118823204 CNJUDPMWWJUGNC-CYBMUJFWSA-N 390.400 -0.625 5 20 GBBD CO[C@@]1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 1324457340 SQUNPOBDAZYIFB-QGZVFWFLSA-N 393.400 -0.440 5 20 GBBD C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@@H](C(=O)O)O1 1607430820 IFNRHHJTBUZLSV-KCJUWKMLSA-N 377.309 -0.109 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1779394466 DRUXTIQEVDOEPB-BZNIZROVSA-N 379.373 -0.202 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795976214 XAMSAKADHGQTRD-VLEAKVRGSA-N 393.404 -0.838 5 20 GBBD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1843424444 PZWAQZINETXHGX-LBPRGKRZSA-N 392.416 -0.139 5 20 GBBD CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411926 UYLBRGPLRNACPO-NSHDSACASA-N 396.360 -0.801 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](N1CCNCC1)C(F)(F)F 261675629 AIRGJPUPGIRESM-NSHDSACASA-N 377.323 -0.291 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 265317857 RPRQYHCBTFOLSZ-VIFPVBQESA-N 386.386 -0.115 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 265342354 PYMPNFYMOXRKNB-SNVBAGLBSA-N 380.386 -0.061 5 20 GBBD O=C(O)[C@@H]1CC(=O)N(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 274940777 GGVFRDGHALZTEP-MRVPVSSYSA-N 375.334 -0.055 5 20 GBBD Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 285275229 MZDWMJCDHHZEQI-OCCSQVGLSA-N 398.397 -0.595 5 20 GBBD CN(C)S(=O)(=O)NCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 295804671 BGXWVFSBAHLOQA-UHFFFAOYSA-N 386.839 -0.078 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 485828664 ANLFVRFFDZDEJE-SKDRFNHKSA-N 375.341 -0.524 5 20 GBBD Cn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 491134798 XCRUPOZUONZKRD-UHFFFAOYSA-N 387.356 -0.354 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 508388225 KYJYWUUOZAGJSZ-KGLIPLIRSA-N 399.425 -0.481 5 20 GBBD N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O 575882298 PNPLSQJVCARCAH-VHSXEESVSA-N 398.397 -0.702 5 20 GBBD O=C(CN1CCOCC1=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 581086605 ASKZIOBATBAQNF-UHFFFAOYSA-N 388.384 0.315 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CCNC2)CC1 584171038 YZBBPTTXNDYNPO-AWEZNQCLSA-N 389.412 -0.174 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598893662 BDQVDHUOJCHULV-LBPRGKRZSA-N 393.356 -0.394 5 20 GBBD COC(=O)[C@@](C)(NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1cccc([N+](=O)[O-])c1 600538992 WHVYTPZJDGQROB-WBOJAVRRSA-N 380.353 -0.488 5 20 GBBD CCN1CCN(CC(=O)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C(=O)C1=O 789478710 HMEXBZILQILSKG-UHFFFAOYSA-N 398.397 -0.601 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 826366455 JBLFZGCLBBIYSD-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 826366518 MAVFNXCGZFQNTF-UHFFFAOYSA-N 386.328 -0.018 5 20 GBBD O=C(CCCN1C(=O)CNC1=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 916184055 NBWCMXABLBEIOL-UHFFFAOYSA-N 384.370 -0.127 5 20 GBBD NS(=O)(=O)CCN1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1592746506 IJMABVRFQJZHMO-UHFFFAOYSA-N 396.433 -0.819 5 20 GBBD CN1C[C@@H](C(=O)O)N(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O 1598564874 LLIHKOASVTWABV-JTQLQIEISA-N 398.759 -0.268 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)C(O)O 1792792476 IOHLBZKPZZYSAV-JJLQDPRZSA-N 379.369 -0.962 5 20 GBBD CCN(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404806 JRDKDGGCFSCYGJ-FVCCEPFGSA-N 394.432 -0.139 5 20 GBBD NC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1796782138 RBGKKPSBWMDFCZ-RNJOBUHISA-N 377.401 -0.162 5 20 GBBD COCCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842774037 FQMLQQXZOGMWJR-UHFFFAOYSA-N 378.385 -0.004 5 20 GBBD C[C@H](C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)n1ccnn1 1845811990 MYZKGAIZCZKCOI-GFCCVEGCSA-N 388.388 -0.153 5 20 GBBD CCS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 299223612 OKYNCSWIOXSDTH-UHFFFAOYSA-N 379.416 -0.333 5 20 GBBD COC(=O)CNC(=O)c1ccc(N[C@@H]2CCCN(CCO)C2=O)c([N+](=O)[O-])c1 509619996 QNXXSMUWQDEJQA-CYBMUJFWSA-N 394.384 -0.107 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)CC1 530774814 CWNILZSYTBGPGV-UHFFFAOYSA-N 378.432 -0.494 5 20 GBBD CNC(=O)[C@H]1CN(c2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])CCO1 541935001 FITRKOOUNAESMP-IINYFYTJSA-N 394.384 -0.163 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 542754779 KYLYYSNORLWDGB-QMMMGPOBSA-N 384.461 -0.150 5 20 GBBD NS(=O)(=O)CC1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 560596107 VSFOYBIFEKLZHM-UHFFFAOYSA-N 384.414 -0.148 5 20 GBBD CNc1nccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1[N+](=O)[O-] 566445718 APSGWBMGWNVPEZ-MRXNPFEDSA-N 376.373 0.482 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CC(=O)N(C)C1=O 573814603 JVJFWYPAEGXCJW-IUCAKERBSA-N 398.397 -0.087 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CCO[C@H]2CN)c([N+](=O)[O-])c1 595923142 QSUXVGPFKBKOEV-RISCZKNCSA-N 386.430 -0.110 5 20 GBBD O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cn1 823140139 PGRIRPZRISZQNS-ZIAGYGMSSA-N 385.340 -0.006 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cn(C)c(=O)n(C)c1=O 848100761 SINCZCCZLBRYMY-UHFFFAOYSA-N 392.324 -0.169 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 1326471172 QYXPVDBDCSEFSM-GFCCVEGCSA-N 385.398 -0.179 5 20 GBBD COC(=O)N(C)CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1333443659 VZOPVNUMIYFUHT-UHFFFAOYSA-N 380.357 -0.001 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1340915810 QDOCRTNXICDLPC-KUDNYVPYSA-N 386.364 -0.320 5 20 GBBD CO[C@H](C(=O)O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1574101090 HZSQXEYJCWZWTJ-LBPRGKRZSA-N 387.370 -0.473 5 20 GBBD NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788812940 AAOVDLNPAKMGCL-NHCYSSNCSA-N 394.388 -0.823 5 20 GBBD O=C(C[C@@H]1NC(=O)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O)N1CCOCC1 269675402 OYYKKUFKOISULZ-UONOGXRCSA-N 392.368 -0.203 5 20 GBBD O=C(C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516548164 HCJIWBWUTVYKNL-AEGPPILISA-N 389.412 -0.132 5 20 GBBD NC(=O)C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)O 547880657 WBRMUJCBILCZRP-MRVPVSSYSA-N 396.175 -0.036 5 20 GBBD CC(CO)(CO)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 581829067 CZCOFPLCOYYSRH-UHFFFAOYSA-N 375.403 -0.630 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)nn1 585740673 SDSDHJVXSZMACQ-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD Cc1c(C(=O)N2CC(N3CC[C@@H](O)C3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 593856100 VGJVWVHBWAQWTF-LLVKDONJSA-N 384.414 -0.558 5 20 GBBD CC(C)(C(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 618173757 DDZXYYVCFIDXJM-UHFFFAOYSA-N 384.414 -0.061 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCO1 1255918376 DIORXNSAZWOWFJ-CYBMUJFWSA-N 390.352 -0.165 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1598501418 GNLVNZQEEXDFGJ-OCCSQVGLSA-N 379.369 -0.110 5 20 GBBD CN(C)S(=O)(=O)N1CCC[C@@H](Nc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1604690613 BPLAETWXKCQPBQ-SNVBAGLBSA-N 397.421 -0.147 5 20 GBBD O=C(Cn1nccn1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1781419237 PYYDSQFNLZTCBP-HNNXBMFYSA-N 390.360 -0.947 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1796341815 OVFKEALQMFIHJR-OWLDWWDNSA-N 395.391 -0.777 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(O)O)C3)n1 1797209994 JTKOLKKSINHWQY-ILWJIGKKSA-N 380.357 -0.439 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])c1c[nH]c(=O)cn1 1798687458 XXRFXZCFCQKMHE-ILWJIGKKSA-N 387.356 -0.033 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CN1 1841113252 VRNPQHKHJKGNQD-SNVBAGLBSA-N 376.373 -0.339 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 534869883 VMDAOWPFHNVTLJ-OAHLLOKOSA-N 395.460 -0.085 5 20 GBBD CN(Cc1nnnn1C)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 544695291 GKFWNIWIAHRIGN-UHFFFAOYSA-N 383.390 -0.266 5 20 GBBD COCCN(C)CCN1C[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1=O 572199151 HLVQUZBOOZWMIE-GFCCVEGCSA-N 382.421 -0.454 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 572928370 WUHAKVMZRBLUOY-GFCCVEGCSA-N 392.416 -0.542 5 20 GBBD C[C@](O)(CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)C(=O)O 575872054 DBKPIBMPRQZHQP-AWEZNQCLSA-N 389.386 -0.137 5 20 GBBD O=C1C[C@@H](C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)NC(=O)N1 597587754 WLMRTWHNHFQUBX-LBPRGKRZSA-N 387.356 0.054 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2nc(CC(=O)O)cs2)n1 600652534 VWANYPVYHFWFKG-UHFFFAOYSA-N 375.388 -0.067 5 20 GBBD Cn1c(=O)ccn(CC(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1=O 731512088 SJWMYVOWIUPAGA-ZDUSSCGKSA-N 388.336 -0.196 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCNS(=O)(=O)Cc1ccccc1 748621946 UGVLTDXYUHEAOH-UHFFFAOYSA-N 394.409 -0.008 5 20 GBBD CN(CC(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 762735132 WDHRXUHHPSKEDI-UHFFFAOYSA-N 379.416 -0.525 5 20 GBBD CCNS(=O)(=O)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 767898157 MFBURPXIHDJPCY-UHFFFAOYSA-N 398.397 -0.083 5 20 GBBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)NC(=O)N[C@H]1CCS(=O)(=O)C1 917283754 ULSBGGFZRWVCCB-QMMMGPOBSA-N 391.383 -0.174 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n(C)c1=O 1252191655 YHHAGWWEBIHEKQ-UHFFFAOYSA-N 384.352 -0.116 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1323468912 KCEORPDDLXIMKI-UHFFFAOYSA-N 384.414 -0.643 5 20 GBBD O=C(NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc(-c2nn[nH]n2)[nH]1 1606734959 OCRVWYMSIIDXLR-ZWNOBZJWSA-N 388.388 -0.172 5 20 GBBD O=C(COCCO)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1781318195 UJBWLLFODSPCKF-INIZCTEOSA-N 382.373 -0.625 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793430712 PNXQVUWUIPOXNU-XHSYRHOGSA-N 394.388 -0.967 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cnn(CCN2CCOCC2)c1 264261809 DEQNNNGTPHVEEB-UHFFFAOYSA-N 376.373 -0.076 5 20 GBBD C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(=O)N1C 282383115 NTWCGXXAQIRDIT-JTQLQIEISA-N 399.429 -0.267 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 297897053 PTPWICUIDFVULN-UHFFFAOYSA-N 398.441 -0.254 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)NC)CC1 298457961 RLGMPBYQGREDCU-UHFFFAOYSA-N 399.429 -0.296 5 20 GBBD O=C(C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410674402 WXKVQRXQRVTPTF-GUTXKFCHSA-N 389.412 -0.132 5 20 GBBD N[C@@H]1C[C@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O 573698860 FNTLWUZMHLOJDH-VHSXEESVSA-N 377.357 -0.494 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 597300432 JFEJKNAUJNQYPX-AAEUAGOBSA-N 385.398 -0.552 5 20 GBBD CN1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O 613865284 WWWJSSFPISDENA-CQSZACIVSA-N 396.425 -0.094 5 20 GBBD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N(C)CC(=O)NC1CC1 748912897 UVUMXNDHHIKRQU-SNVBAGLBSA-N 380.357 -0.575 5 20 GBBD CS(=O)(=O)N1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 755254478 BFHXTVKPTXEWIB-UHFFFAOYSA-N 383.386 -0.054 5 20 GBBD O=C(NS(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] 842312426 JEURYXHJJJLTRG-GHMZBOCLSA-N 380.375 -0.289 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 920119745 XAYHFNXSQCENSL-UHFFFAOYSA-N 391.344 -0.910 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1117493708 PKHFDIJMWBCELU-OAHLLOKOSA-N 394.428 -0.595 5 20 GBBD C[C@@H]1CN(CCCNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 1323905731 OWOKJACTAVANOW-CHWSQXEVSA-N 382.421 -0.477 5 20 GBBD C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218973 PWRVPWXKWSEVBZ-IMIFBBOLSA-N 381.389 -0.848 5 20 GBBD C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1799284320 CEZJJMCUIFVGNN-NJBDSQKTSA-N 380.357 -0.475 5 20 GBBD CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834942228 AQGIXDRGEPXQDS-KRWDZBQOSA-N 395.416 -0.446 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756409 YDNOWEHQEMSQHA-OAHLLOKOSA-N 397.363 -0.110 5 20 GBBD CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847766170 RUKKWLBYAIZYSC-RYUDHWBXSA-N 391.384 -0.906 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@H]2C1 267492829 WIJSWQUWSFGLRJ-ZDUSSCGKSA-N 375.385 -0.126 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] 268498000 ILFUMAMQFKZOEB-MFKMUULPSA-N 380.357 -0.518 5 20 GBBD CNC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)OC)CCO1 273060813 CXSOMPNPCLZVEX-LBPRGKRZSA-N 388.402 -0.272 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCCCN2CCNC(=O)C2)cc1[N+](=O)[O-] 275424089 QLOJPDOSUSQEKS-UHFFFAOYSA-N 390.393 -0.157 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 298121798 MUXXKQMBLNURBX-UHFFFAOYSA-N 399.429 -0.113 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)OC)C2)cc1[N+](=O)[O-] 416384150 INXBSKBCLIKLNS-GFCCVEGCSA-N 388.354 -0.056 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] 437350052 ZUBXTXIGFMKCPU-JTQLQIEISA-N 386.386 -0.179 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1nnnn1C 477081107 FKRXRWLMTXGICF-QMMMGPOBSA-N 383.390 -0.121 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1O 487668100 PISFPRJRJYRFNY-NWDGAFQWSA-N 383.405 -0.213 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)S(N)(=O)=O 541029512 INLYPHSSQKDUSH-LLVKDONJSA-N 399.429 -0.963 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)O 548257018 UCPDIQBFQBJHDI-KLVQOETNSA-N 378.384 -0.190 5 20 GBBD C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CN1CCOCC1 550161852 WSJFKCAZNNXCTO-LLVKDONJSA-N 386.430 -0.060 5 20 GBBD Nc1nccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1[N+](=O)[O-] 565185295 JIHKBGCJRROKAO-SNVBAGLBSA-N 387.418 -0.210 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 567124721 PYECFLUAOFGIGI-QWRGUYRKSA-N 377.357 -0.688 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 581387798 LUDGLCDFJUNUJE-NSHDSACASA-N 384.414 -0.148 5 20 GBBD COC(=O)[C@@H]1CNCCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 592554823 NAWAUBGXVGDMHF-AWEZNQCLSA-N 393.400 -0.243 5 20 GBBD C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)NC(N)=O 594214791 FVCYYWZDEZSHCT-NSHDSACASA-N 399.429 -0.125 5 20 GBBD COC(=O)[C@](C)(NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)c1cccc([N+](=O)[O-])c1 600538987 WHVYTPZJDGQROB-VMUDFCTBSA-N 380.353 -0.488 5 20 GBBD CC(C)(C)OC(=O)N1CCN(CC(=O)OCCn2cnc([N+](=O)[O-])n2)C(=O)C1 749076450 LJTFLELLDNOILK-UHFFFAOYSA-N 398.376 -0.191 5 20 GBBD O=C(CCN1CCOCC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 751364077 NKXTXXJGJOGFOJ-UHFFFAOYSA-N 386.430 -0.288 5 20 GBBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 854834406 YNCHCVKHMKACGM-UHFFFAOYSA-N 393.447 -0.337 5 20 GBBD CCn1ncc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 858661015 PEULUXHVEYHUPA-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 1117563237 TXAHOUPKXFPKDF-ZDUSSCGKSA-N 380.405 -0.912 5 20 GBBD COCCCN(CCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591414056 AJSSXDSCCVLUPE-UHFFFAOYSA-N 386.390 -0.206 5 20 GBBD O=C(O)[C@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1601770756 BMGOPUCYYZRKIT-HUUCEWRRSA-N 378.385 -0.237 5 20 GBBD CCOC(=O)c1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc([N+](=O)[O-])c1 263701007 KUEDKVFEVIJGFD-UHFFFAOYSA-N 386.386 -0.267 5 20 GBBD CNC(=O)CCN(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265322138 NWIHQBLCLVQCGE-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 267072247 QXBIXHTXCYVTPE-NSHDSACASA-N 390.443 -0.371 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 272155118 DHUOXXQWTFLQTG-SECBINFHSA-N 386.361 -0.626 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 273054820 KHCDPFDCDSSFJT-AWEZNQCLSA-N 378.385 -0.003 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 281731492 AUMWPMAPCAOURU-UHFFFAOYSA-N 376.464 -0.335 5 20 GBBD CCCNC(=O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 299286982 XKSDCDMEIGKTDO-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD CCS(=O)(=O)N(C)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 440320365 LDMWMCHSYKMFIW-AWEZNQCLSA-N 375.451 -0.102 5 20 GBBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442023340 CUUWDIMFDIPOJJ-JTQLQIEISA-N 381.732 -0.051 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 531966383 JKVNRPPCMGJZND-CQSZACIVSA-N 397.457 -0.015 5 20 GBBD CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[C@H]1CCNC1=O 536153660 ZEXGTJLSDTZENR-ZDUSSCGKSA-N 384.414 -0.060 5 20 GBBD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 543710489 VDRWAODGMDDNST-NHYWBVRUSA-N 377.401 -0.086 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 600324147 DLBOTEXCXDASRN-SNVBAGLBSA-N 386.386 -0.448 5 20 GBBD CC(C)[C@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 619581927 BTXQJKIFDWVAPL-AWEZNQCLSA-N 384.414 -0.144 5 20 GBBD O=C(CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)NCCN1CCOCC1 732157728 ZRPKARLYUAIHND-UHFFFAOYSA-N 384.364 -0.323 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 743257453 FSPGRAXYRLKKAX-AWEZNQCLSA-N 390.466 -0.644 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)c1cnn(Cc2ccccc2)c1 749052441 HFKTXNWVDZFVGQ-UHFFFAOYSA-N 391.369 -0.064 5 20 GBBD C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783379791 UNGQMVOHFWQQQN-NXEZZACHSA-N 388.402 -0.239 5 20 GBBD O=C1NCCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826482952 VZMSDTVBOUFXPS-QMMMGPOBSA-N 381.374 -0.278 5 20 GBBD CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 1251249193 NMRZCXUDJLNGJD-UHFFFAOYSA-N 385.446 -0.057 5 20 GBBD CCN(CC)C(=O)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1261998665 OFJGDXJAGDENGG-UHFFFAOYSA-N 392.416 -0.377 5 20 GBBD CS(=O)(=O)CCN1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1319332806 ZEHQGOPBVBDOTL-UHFFFAOYSA-N 388.450 -0.401 5 20 GBBD CC(=O)N1CCN(CCNc2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 1602929406 RDCAOTCFUCBTHH-UHFFFAOYSA-N 375.393 -0.067 5 20 GBBD O=C1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)N1 1780415970 RRFQKYNYOHASTF-PXAZEXFGSA-N 391.384 -0.355 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(CC(=O)NC(N)=O)CC2)c([N+](=O)[O-])c1 263841492 KHJVCCHZNMVWBC-UHFFFAOYSA-N 385.402 -0.685 5 20 GBBD NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)O1 268351085 NHKIMWMUVLXMSY-PSASIEDQSA-N 387.370 -0.323 5 20 GBBD Nc1ncnc2c1ncn2CC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 271501483 HMVRIKBSKBXJJL-FZMZJTMJSA-N 387.356 -0.473 5 20 GBBD COC(=O)[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O 443676179 PIDMCPNKTQXBKE-RNCFNFMXSA-N 389.386 -0.698 5 20 GBBD COC[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 531260202 CQQVQSSVQKUKLU-HNNXBMFYSA-N 387.414 -0.175 5 20 GBBD COC(=O)c1cn([C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)nn1 544822895 ATKXUKKMLNOGRA-JTQLQIEISA-N 376.329 -0.392 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 548256842 KUYHHBILJJYTRO-NSHDSACASA-N 378.384 -0.392 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O 579992551 CQXXOLVRDCBLEH-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD C[C@H]1C(=O)N(C)CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 591929042 HGVDGVPKQGRCST-JTQLQIEISA-N 385.402 -0.297 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2COCCN2)c(C)c([N+](=O)[O-])c1 599900742 ZUUSWBJCFQPNTP-LLVKDONJSA-N 380.357 -0.267 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](CO)[C@H](CO)C1 600215738 KGMJRDXAQKYLAD-RYUDHWBXSA-N 387.414 -0.678 5 20 GBBD CC(C)c1[nH]nc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] 610920541 LJFGJBKHXPFFRS-UHFFFAOYSA-N 388.450 -0.252 5 20 GBBD Cn1nncc1S(=O)(=O)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 781733573 BNVQKYHFBUKPDL-UHFFFAOYSA-N 378.330 -0.577 5 20 GBBD CCN(CCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1327434423 BBPWVFVIPVEAJB-UHFFFAOYSA-N 386.430 -0.001 5 20 GBBD O=C1OC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3-c3nn[nH]n3)C[C@H]12 1593422537 NGXKXWZDDAFARO-XVKPBYJWSA-N 380.342 -0.432 5 20 GBBD COC(OC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809598 DAVLDVMUUUZHFR-NHCYSSNCSA-N 397.388 -0.470 5 20 GBBD O=C([C@@H]1[C@H]2COC[C@H]21)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000703 FLQBYJWDCYXKCL-NHAGDIPZSA-N 375.385 -0.113 5 20 GBBD CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848164733 UQXUWCRHWCBKHM-IHRRRGAJSA-N 390.400 -0.386 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 267306674 LRNRQNYQPBEWAV-CABCVRRESA-N 383.426 -0.181 5 20 GBBD CN1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1=O 267500457 WLSFAHRJYPULHP-UHFFFAOYSA-N 378.341 -0.005 5 20 GBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 286392663 KZFCCKFZLFFXQU-NSHDSACASA-N 394.203 -0.032 5 20 GBBD O=C(CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)NC1CC1 299019224 WWIHPCPBBWSSJL-UHFFFAOYSA-N 375.385 -0.044 5 20 GBBD COc1cc(OCC(=O)N2CC(n3cc(C(N)=O)nn3)C2)ccc1[N+](=O)[O-] 374839456 WAVDMIAQHSZLIZ-UHFFFAOYSA-N 376.329 -0.244 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472710507 UXFDPKNHHFIEEM-CQSZACIVSA-N 384.364 -0.176 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473711705 CXGMTADZMQMSEL-WCQYABFASA-N 388.340 -0.271 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 474480926 VTBRCRGAWLQULM-CYBMUJFWSA-N 384.414 -0.135 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 542902149 NWQOVFGWKNHELU-LLVKDONJSA-N 384.776 -0.049 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@]1(O)CN2CCC1CC2 552025764 KSQSTVVKRWTPJQ-GOSISDBHSA-N 390.396 -0.107 5 20 GBBD CCN1C(=O)[C@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CCN2C1=O 598605044 XJBNSNDAKOQLLK-LLVKDONJSA-N 391.388 -0.306 5 20 GBBD CC(C)(C)OC(=O)NCCS(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 803035181 SISCLRFUTIXFES-UHFFFAOYSA-N 377.379 -0.238 5 20 GBBD CON(C)C(=O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 817124280 CLGDDUBXDHTHSV-UHFFFAOYSA-N 389.434 -0.134 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)O1 826390182 SDMGODMGKNYZHI-CBAPKCEASA-N 397.373 -0.914 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 1324575683 IKEVTLBFIXMASY-CABCVRRESA-N 394.432 -0.333 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1348410808 IKVVRGWWIKGIST-UHFFFAOYSA-N 385.398 -0.313 5 20 GBBD O=C(Cn1nccn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779387608 WRYNCDOELPVRJS-HNNXBMFYSA-N 390.360 -0.947 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)C3CC3)C2)C1 1784910404 TXNUUKQUKUAUAJ-SFHVURJKSA-N 390.396 -0.004 5 20 GBBD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1793283177 OBBDBAVJKARAJL-KEODLESXSA-N 380.357 -0.473 5 20 GBBD O=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nc[nH]c2[N+](=O)[O-])C3)=NN1 1798371998 NXEPTIWFJMECAN-AYMMMOKOSA-N 375.345 -0.554 5 20 GBBD COC[C@@H](CCO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 269105559 ATUPWILYQCMHSD-SNVBAGLBSA-N 390.418 -0.442 5 20 GBBD COCCN1CC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 272125461 TVCVLJNLOMLNFK-UHFFFAOYSA-N 386.386 -0.216 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] 519000371 CBSCKUYELRLNBS-STQMWFEESA-N 375.385 -0.597 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)N1 593603284 KRXGNCSEZLLEBD-LLVKDONJSA-N 377.400 -0.824 5 20 GBBD NC(=O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 604435545 PZEPTALCCOAUCP-NSHDSACASA-N 384.414 -0.013 5 20 GBBD CCOC(=O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 611859709 FCBGPYZFOASLHT-LBPRGKRZSA-N 389.386 -0.697 5 20 GBBD CN(CC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] 742600348 CDOHTDNTIIRIMP-UHFFFAOYSA-N 386.430 -0.191 5 20 GBBD COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 821656046 WPYSICUTPKHWTB-QMMMGPOBSA-N 382.358 -0.042 5 20 GBBD COC(=O)NCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 836651747 KPNSZJXUYXQFDN-UHFFFAOYSA-N 389.390 -0.472 5 20 GBBD CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1844158666 IBDJFDZKMSEMNH-GFCCVEGCSA-N 395.372 -0.196 5 20 GBBD O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 47926455 LPYVFRSKZDUTMO-UHFFFAOYSA-N 388.380 -0.043 5 20 GBBD NCC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOCC1 261950079 ODOTVGBJRDQCDU-UHFFFAOYSA-N 386.430 -0.255 5 20 GBBD CN(CC(=O)NC1CC1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265522388 CVESFZWUXXJVAZ-UHFFFAOYSA-N 384.414 -0.048 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 271336531 MBQQEBAGVXQAEU-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)C(=O)NC2CC2)CC1 272792419 CNHRIDYXWSALNY-UHFFFAOYSA-N 397.413 -0.831 5 20 GBBD O=C1[C@@H]2[C@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 277974681 SIFAWZDLLHWULC-OLZOCXBDSA-N 398.397 -0.339 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCC2CN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 428877069 RPNRVAWRKFWCOP-UHFFFAOYSA-N 384.414 -0.359 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 536377885 ILSPIPMSLQAKMO-OAHLLOKOSA-N 393.444 -0.379 5 20 GBBD Cn1ccnc(N2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CC2)c1=O 566582732 WKGCXCFAQHYPRP-UHFFFAOYSA-N 394.413 -0.338 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 580376646 RFXSIQALECJXBJ-GXSJLCMTSA-N 383.382 -0.131 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 580875195 KOULZBLFEVZTNI-GFCCVEGCSA-N 394.432 -0.248 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 583152801 BYVYOLVPNJXACJ-OPRDCNLKSA-N 375.407 -0.899 5 20 GBBD O=C(O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 591567310 FAISZKRCKDUNGC-CQSZACIVSA-N 392.368 -0.445 5 20 GBBD NCc1cc(O)nc(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 595274825 ATOMOQAEVVONIN-UHFFFAOYSA-N 388.388 -0.024 5 20 GBBD O=[N+]([O-])c1cncc(Cl)c1N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 596177689 NTOYOGUDIOQCJD-VXGBXAGGSA-N 376.822 -0.077 5 20 GBBD Cn1cc(CCC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 596948143 DCTDWIDNYOCSBV-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 598026760 GGFYQMMSEXIBOE-WCQYABFASA-N 385.398 -0.439 5 20 GBBD COCc1n[nH]c(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 598056238 YGKMTGSAXVQUQQ-UHFFFAOYSA-N 376.329 -0.099 5 20 GBBD Cc1cc(C(=O)NCC(=O)N(CCO)CCN2CCOCC2)ccc1[N+](=O)[O-] 611851750 AYUQGRBNBAYUGL-UHFFFAOYSA-N 394.428 -0.214 5 20 GBBD O=C1CC[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 765958275 KAUSNLFCYLICOA-GFCCVEGCSA-N 382.398 -0.294 5 20 GBBD O=Cc1ccc(OCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 790238343 HPJBWTPLIUKMJA-MRXNPFEDSA-N 376.325 -0.013 5 20 GBBD COc1ccc(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)c([N+](=O)[O-])c1 916795699 XOHRDJBEDXRBEY-UHFFFAOYSA-N 393.399 -0.556 5 20 GBBD C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1576374351 IAVCUGCAPWLIMD-SCZZXKLOSA-N 384.374 -0.455 5 20 GBBD CS(=O)(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591677239 HDRVMPQORHIOGB-GFCCVEGCSA-N 397.417 -0.475 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)no1)C2)c1nc[nH]c1[N+](=O)[O-] 1796402745 AIBCWNFMZUCTNC-AKZRSSKFSA-N 392.328 -0.472 5 20 GBBD CN[C@H](CC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)C(=O)O 1842950401 CCDOZJPCAVEOSI-SECBINFHSA-N 380.361 -0.802 5 20 GBBD C[C@@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1846380671 VGHJFPOYBHTFQA-HNNXBMFYSA-N 395.372 -0.249 5 20 GBBD O=C(NCCNC(=O)C1CC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66889306 LZWKLTKBDLGECQ-UHFFFAOYSA-N 399.429 -0.302 5 20 GBBD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCn1cc([N+](=O)[O-])cn1 164403794 PYTKVTXDZFKWDU-UHFFFAOYSA-N 387.150 -0.780 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1O 274642062 FOPNJOOSYINXQE-OLZOCXBDSA-N 385.398 -0.472 5 20 GBBD C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 276115348 XYZFVSZAYUDJCR-GWCFXTLKSA-N 393.443 -0.030 5 20 GBBD CCN(C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)S(C)(=O)=O 440313567 GAOZXJLFYWORRM-AWEZNQCLSA-N 375.451 -0.102 5 20 GBBD CO[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O 456365713 HOVPHEVWRDVJHM-RBSFLKMASA-N 399.425 -0.034 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCNC(=O)CC2)c(C)c([N+](=O)[O-])c1 487801383 MPJKCCWUKQSCSR-UHFFFAOYSA-N 378.341 -0.023 5 20 GBBD NC(=O)c1cccnc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 522272749 UVQYILREMPFWEL-UHFFFAOYSA-N 386.368 -0.401 5 20 GBBD CN(CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12)S(C)(=O)=O 537203230 RJXPKCNKQKFMJW-UHFFFAOYSA-N 382.402 -0.043 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(NS(N)(=O)=O)CC1 599645602 BIWAPLAGCRWNRT-UHFFFAOYSA-N 387.418 -0.201 5 20 GBBD CN(CC(=O)OCC(=O)c1cn(C)nn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 845124941 RBXBUBCSRBYRLJ-UHFFFAOYSA-N 397.369 -0.230 5 20 GBBD CNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 917525223 OGXYLZOXIVUBLF-UHFFFAOYSA-N 391.428 -0.065 5 20 GBBD C[C@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786783512 OXSXSKXHTDZJTE-RHYQMDGZSA-N 380.405 -0.494 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC1)C2 1800283283 FXIYZUCNNCWVAR-YWVIFJGQSA-N 390.396 -0.244 5 20 GBBD C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828433 QXVKUMGDXJNUAC-MEDUHNTESA-N 382.373 -0.626 5 20 GBBD Cc1c(C(=O)N2CC[C@@H](N3CCNCC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 262447528 VMBFQZPLAXSDEC-GFCCVEGCSA-N 397.457 -0.330 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 272251583 YKGXAGZMTCJBAB-SECBINFHSA-N 386.386 -0.031 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 280127519 DAZKLKQULVCEBP-UHFFFAOYSA-N 377.401 -0.138 5 20 GBBD COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 376784159 FXENXXGZRWNBFJ-WDEREUQCSA-N 391.384 -0.427 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CC(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 416498412 XDOYAAILIBFNAK-UHFFFAOYSA-N 378.384 -0.201 5 20 GBBD CC(=O)N1CC(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 421991293 PNOJRPWUTGXAFW-UHFFFAOYSA-N 384.414 -0.190 5 20 GBBD COc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424365131 GJVKERIEGSUZAZ-LLVKDONJSA-N 394.383 -0.524 5 20 GBBD COCCn1ccc(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 427394584 JAPZIPPZNZJGRP-UHFFFAOYSA-N 391.388 0.436 5 20 GBBD CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 468940400 LVLSVDGJUMHYGH-CQSZACIVSA-N 390.370 -0.026 5 20 GBBD Cc1cc(C(=O)NCC(=O)Nc2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 561986235 QKKINMYFGATEJE-UHFFFAOYSA-N 375.341 -0.331 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCNC1=O 591173838 BOSZMEQPLFIIFG-LLVKDONJSA-N 384.414 -0.094 5 20 GBBD COC(=O)[C@H](CCF)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 593796820 NPWLZOLJDXEGJF-VIFPVBQESA-N 377.350 -0.110 5 20 GBBD NS(=O)(=O)N1CCC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 609881505 UGVRZTMTYLTBRI-LBPRGKRZSA-N 398.445 -0.082 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 610410820 AQLQSZMNMHFRJN-SECBINFHSA-N 378.432 -0.253 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)O 619471531 DTEYWEVICRTGOS-YGWIHHTISA-N 378.384 -0.190 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NCCn2ncnn2)cc1[N+](=O)[O-] 777997298 PYKUARYMXFURFX-UHFFFAOYSA-N 383.346 -0.484 5 20 GBBD CN1C(=O)CN(CC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O 860504316 HIEDUNJQUWDNRM-UHFFFAOYSA-N 390.761 -0.053 5 20 GBBD CS(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1 860590466 USQDQYLPTATZOB-VIFPVBQESA-N 392.415 -0.534 5 20 GBBD O=C(NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(-c2cnn[nH]2)nc1 1578006101 GGIHWXITPVMXRN-BXUZGUMPSA-N 389.372 -0.917 5 20 GBBD CN1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)C1 1780418411 BTYKTJHTNNNNON-QGZVFWFLSA-N 377.401 -0.072 5 20 GBBD CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C[C@@H]32)COC1 1783669509 UFXBGKQALDBBCT-GVXVVHGQSA-N 393.400 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401899 WRDJXFDHIHQADA-DDFAGTSDSA-N 389.372 -0.513 5 20 GBBD O=C(C(O)O)N1CC2(CCCN2C(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 1845576217 NLJOMEXQHCQFQW-UHFFFAOYSA-N 375.341 -0.401 5 20 GBBD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])c2)CC1 25586780 DXEQQMABMHANDA-UHFFFAOYSA-N 398.401 -0.071 5 20 GBBD CN(CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O 265784334 ICOHCYIHURQPOE-UHFFFAOYSA-N 384.414 -0.229 5 20 GBBD CCN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 273631996 SMGLETRIZPLWNV-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(=O)O)C[C@H]1C(N)=O 275075439 HRGYGXPSMQCUKT-SCZZXKLOSA-N 387.370 -0.057 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC(=O)N1 298236035 BTNUDEFULLTYJI-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 376166645 NHEOSISRSLPIPR-VXGBXAGGSA-N 383.382 -0.388 5 20 GBBD O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 420198156 KSHRPESYKKZORP-HNNXBMFYSA-N 377.401 -0.652 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 436986592 KJWQQLUJARZTPB-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD CNC(=O)C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 455475198 XVHPHHSPUXKXCP-SNVBAGLBSA-N 387.418 -0.303 5 20 GBBD CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 460475002 HSNZDEPRMNAQII-ZETCQYMHSA-N 382.192 -0.258 5 20 GBBD COCCCS(=O)(=O)NCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 487026963 XYGAWEMNJGACAM-UHFFFAOYSA-N 389.434 -0.089 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] 564733512 VRDZWRKGWMQUAS-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD CN1CCN(CC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 609547493 PAEMNBYDMQWJRH-UHFFFAOYSA-N 399.473 -0.226 5 20 GBBD Cn1c(=O)c2c(ncn2CCOC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(C)c1=O 769050387 UYABFZYZVOHQMR-UHFFFAOYSA-N 389.324 -0.096 5 20 GBBD Cc1cc(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc([N+](=O)[O-])c1F 849396341 ZCAMSUAMZDTZKS-GFCCVEGCSA-N 382.391 -0.130 5 20 GBBD COC(=O)[C@@](C)(CO)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 852158495 XDLIAXOCOSERNK-QGZVFWFLSA-N 380.401 -0.243 5 20 GBBD O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)CN1 1783155935 FLOARYIZKHEFTN-GTNSWQLSSA-N 392.368 -0.233 5 20 GBBD CC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794278580 MQTKYXONTOWXMH-CLLJXQQHSA-N 378.389 -0.434 5 20 GBBD CN(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401507 LBGUIFHGIZSUKG-PTEHBNRSSA-N 380.405 -0.527 5 20 GBBD O=C(CN1CCOCC1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389094 QMLHHQLKECRTRM-UHFFFAOYSA-N 378.389 -0.533 5 20 GBBD CN1CC(=O)N(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1=O 53016808 GMZXESYELXGQSH-UHFFFAOYSA-N 395.397 -0.165 5 20 GBBD C[C@H]1C(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265336536 QOJGKIPPCPQMAI-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)OC)[C@H](C)O)cc1[N+](=O)[O-] 275707957 GOSRBLUAUDPDRJ-CPCISQLKSA-N 391.358 -0.026 5 20 GBBD COCC[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OC 291990097 AFYPBVKRMRMNDM-SNVBAGLBSA-N 379.325 -0.115 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCO1 423577372 HNJKDIQSCHZOOJ-CQSZACIVSA-N 378.385 -0.239 5 20 GBBD NS(=O)(=O)[C@H]1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 535888047 LBLHPUWRFOCHCP-LBPRGKRZSA-N 384.414 -0.066 5 20 GBBD C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 564587282 VOQIKLHEDIUPIK-SFYZADRCSA-N 375.432 0.093 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 568432010 DRVJPHLWPGALPD-UHFFFAOYSA-N 391.428 -0.200 5 20 GBBD Nc1n[nH]c(CCNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 590568071 WQTKUORXERNYQJ-UHFFFAOYSA-N 397.417 -0.029 5 20 GBBD CS(=O)(=O)N1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598586779 ZPEAYQLUMGJJPR-UHFFFAOYSA-N 386.434 -0.307 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCOCC1 731887459 LUBCIOPWDAXQPY-UHFFFAOYSA-N 379.417 -0.161 5 20 GBBD O=C(C(=O)N1CCC[C@@H]1CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1117903035 STAZRGLMJXNALL-LLVKDONJSA-N 396.425 -0.076 5 20 GBBD O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(Cc2cnn[nH]2)CC1 1578008393 WMGFZKAVINGEEU-RIVGAVQESA-N 391.432 -0.530 5 20 GBBD CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1590987378 CLRMFGRTAAGZHU-UHFFFAOYSA-N 386.376 -0.207 5 20 GBBD O=C1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]cc2[N+](=O)[O-])CN1 1847322669 LLTHWICLELGFDV-VWYCJHECSA-N 376.373 -0.341 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 25020977 QSVRHURZUPTISW-ZDUSSCGKSA-N 392.368 -0.395 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(=O)(=O)NC1CC1 26842405 FRJVOCJDGCHTAX-UHFFFAOYSA-N 379.416 -0.037 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCS(=O)(=O)N1CCSCC1 264382168 OCNGECXKRMDTOK-UHFFFAOYSA-N 391.475 -0.015 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 273984538 ICBXFCZDCHTCMW-NSHDSACASA-N 387.326 -0.085 5 20 GBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 372800901 IOUFTEUNPIIBTO-LBPRGKRZSA-N 389.434 -0.310 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 409794011 UDJSBIJEOBVWQP-NXEZZACHSA-N 395.463 -0.193 5 20 GBBD Cn1nccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 446783303 DYOQKNQVTJQCGL-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD NC(=O)[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1 552186686 PUYHOZXJTUTMLL-CQSZACIVSA-N 378.370 -0.074 5 20 GBBD C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 594901016 ZOKXSNXKMKVARO-RXMQYKEDSA-N 381.374 -0.690 5 20 GBBD C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCS1(=O)=O 600424479 LJNSFVKMZYUWJR-NXEZZACHSA-N 391.427 -0.435 5 20 GBBD O=C(NCc1cnc[nH]1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611645220 ZLQLBFRVGLVDGD-AAEUAGOBSA-N 395.397 -0.242 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCCS1(=O)=O 619480217 SIDZOVBENSGQDA-UHFFFAOYSA-N 379.416 -0.083 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCCNS(C)(=O)=O 731604156 YEQDULIBHZZKJK-UHFFFAOYSA-N 389.386 -0.150 5 20 GBBD Cn1cc([C@@H](O)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 743646392 MRGHMBHXADIOJJ-ZDUSSCGKSA-N 375.341 -0.097 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 766962136 CJXLZDKBUVQRFC-UHFFFAOYSA-N 391.344 -0.678 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401527 MUPVYVCDHWJTDU-DOFRTFSJSA-N 376.329 -0.177 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840634454 LTWDUCWYPQLDCV-KRWDZBQOSA-N 393.400 -0.342 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1845824537 CTJUYXSKRNVDAT-BETUJISGSA-N 390.396 -0.269 5 20 GBBD CNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 55127278 QCCOWSKKBWVEHS-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD NC(=O)[C@@H]1CCCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 264589426 FZHSABAMGAUEEH-SNVBAGLBSA-N 399.429 -0.232 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 272855973 IJMLKTCCVOAURT-UHFFFAOYSA-N 380.357 -0.141 5 20 GBBD O=C(NCC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 276337347 SNTXCKARYYMALT-UHFFFAOYSA-N 396.425 -0.046 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 298302111 INJRYIUXZCKVDG-GOSISDBHSA-N 389.412 -0.033 5 20 GBBD COC(=O)Cn1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)nn1 441868018 IBCSOFSFNCCTIO-UHFFFAOYSA-N 385.358 -0.154 5 20 GBBD NC(=O)[C@H]1CN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 459978636 WMLNLXBJBVYTQE-CQSZACIVSA-N 376.369 -0.202 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN([C@@H]3COC[C@H]3O)CC2)cc1[N+](=O)[O-] 463073684 JQHPPGOAAUTPLR-ZIAGYGMSSA-N 387.414 -0.331 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCNS(=O)(=O)c2cnn(C)c2)c1 463254604 FXUVWUYCTYTUCT-UHFFFAOYSA-N 385.358 -0.745 5 20 GBBD COc1cncc(NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 563257373 BGJLUJANSYZKGW-UHFFFAOYSA-N 387.356 0.076 5 20 GBBD CN1C(=O)CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 582735160 BMMUGFPNBLRQMY-UHFFFAOYSA-N 384.370 -0.958 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC12CC(CN1)C2 595263595 GRZSRETVXTXOST-UHFFFAOYSA-N 383.430 -0.076 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1cnnn1C 597787269 AJLSAZRNSVVJEF-UHFFFAOYSA-N 382.402 -0.297 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1=O 733566455 JBPKCLGIAPCQPD-UHFFFAOYSA-N 390.308 -0.552 5 20 GBBD CN(CC(=O)NC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 821592443 GNVPPLYMSDETPD-UHFFFAOYSA-N 381.374 -0.326 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] 849397699 AGBMEQQKKBKYIY-PELKAZGASA-N 375.359 -0.253 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1323631150 BYDONVZVACLMSH-CQSZACIVSA-N 396.425 -0.023 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnco1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404114 YFJZIIGKKCFIDY-DOFRTFSJSA-N 376.329 -0.177 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)N1 15928726 GAYJGGZXILWRFV-ZDUSSCGKSA-N 382.398 -0.294 5 20 GBBD CS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 58241299 QHGYLNYLQPYHFM-UHFFFAOYSA-N 394.431 -0.783 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 266958452 YKKYYLKXHXOXAH-SNVBAGLBSA-N 393.443 -0.330 5 20 GBBD COc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(N)=O)ccc1[N+](=O)[O-] 275170814 VJSWCXIFRZVTBB-LDYMZIIASA-N 387.370 -0.057 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)O)cc1[N+](=O)[O-] 275707969 GOSRBLUAUDPDRJ-HQJQHLMTSA-N 391.358 -0.026 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(O)CN(C)C 276444371 YOOYQCBIPXSPQT-AWEZNQCLSA-N 375.403 -0.028 5 20 GBBD Cc1nc([N+](=O)[O-])c(-c2noc(CNS(=O)(=O)c3cnn(C)c3)n2)n1C 350942869 CWMSHILOMDCKCU-UHFFFAOYSA-N 382.362 -0.101 5 20 GBBD Cc1[nH]c(=NC[C@]2(C)CCC(=O)N2)[nH]c(=NC[C@@]2(C)CCC(=O)N2)c1[N+](=O)[O-] 413330749 AWQGQDCITGMUNV-SJORKVTESA-N 391.432 -0.302 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)OC)cc1[N+](=O)[O-] 416416509 LOWVBKMHSOVWDQ-LBPRGKRZSA-N 388.354 -0.056 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2)c([N+](=O)[O-])c1 432509895 OTMFJXQSJHQLBK-WCQYABFASA-N 398.441 -0.630 5 20 GBBD C[C@](O)(CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 474561304 UCPAYZDPEPBHDS-KRWDZBQOSA-N 380.401 -0.476 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[S@@](=O)C1 474948702 BWUKICHPADZFCM-DJNLSKAYSA-N 375.428 -0.100 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1S(=O)(=O)N1CCOCC1 517188897 BAGOBCMVTRBCNJ-UHFFFAOYSA-N 396.385 -0.154 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCS(=O)(=O)NCc2ccccc2)c1 591728098 UNFNMMCBMATRRP-HNNXBMFYSA-N 383.430 -0.139 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 592912313 XJZOURVVFJWWLI-WDEREUQCSA-N 386.382 -0.006 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 596614621 VPZYCKYKCXUEKQ-UHFFFAOYSA-N 387.418 -0.237 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@]1(OCCO)CCOC1 597992260 BRBIBUXLSVLZLD-KRWDZBQOSA-N 393.352 -0.525 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C(=O)O)[C@H](O)Cc2ccccc2)n1 600653542 LAIZSYYPRFMMJV-NEPJUHHUSA-N 384.370 -0.337 5 20 GBBD NC(=O)N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 762577826 SMXDOMHPOLPKAZ-NSHDSACASA-N 399.429 -0.137 5 20 GBBD COC(=O)N1CC(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 771755260 DUPCMGKLUMJGET-UHFFFAOYSA-N 386.386 -0.170 5 20 GBBD Cc1cc(Cl)c(S(=O)(=O)N2CCN(CC(N)=O)C(=O)C2)cc1[N+](=O)[O-] 841541706 BTYHWVMVODOKIR-UHFFFAOYSA-N 390.805 -0.125 5 20 GBBD O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC(=O)N[C@H]1CCS(=O)(=O)C1 916467696 UPDRPXDPYMJBMJ-VIFPVBQESA-N 385.354 -0.236 5 20 GBBD CCOC(=O)[C@@H]1CNCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1327088372 ZNUUSKWVWNXSBL-ZDUSSCGKSA-N 392.368 -0.316 5 20 GBBD CS(=O)(=O)N1CCC(NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1340565027 VGKCPCNIUFNYEA-UHFFFAOYSA-N 396.425 -0.023 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1588824534 QKSKVOHHRHZNCG-UHFFFAOYSA-N 381.374 -0.372 5 20 GBBD Nc1c([N+](=O)[O-])ccc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1-c1nn[nH]n1 1592756954 FOQLNWWIVINBAP-CQSZACIVSA-N 395.401 -0.249 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(C(=O)O)ccc1[N+](=O)[O-])C2 1606003721 DHZVLEXWSJGMKP-UHFFFAOYSA-N 390.356 -0.240 5 20 GBBD CC[C@@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793390979 FQZANQFMYKRUJV-DIACKHNESA-N 395.416 -0.072 5 20 GBBD CC(C)(O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000172 JRXHWGKWGYMNSM-DRXBFXEBSA-N 395.416 -0.458 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC(F)(F)CO 274392206 OPMPMOFFCMVBMP-UHFFFAOYSA-N 382.345 -0.200 5 20 GBBD COc1ccc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1[N+](=O)[O-] 378536110 BBALAGNCZVVARK-UHFFFAOYSA-N 382.358 -0.461 5 20 GBBD CN(CC(=O)N[C@@H]1CC[S@](=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 474940157 CPEZHMTXPLYIGV-WYVULQQZSA-N 375.428 -0.148 5 20 GBBD Cc1c(C(=O)N(C)CC(=O)N2CCNCC2)nnn1-c1cccc([N+](=O)[O-])c1 495640303 PVZUORKLGACKCF-UHFFFAOYSA-N 387.400 -0.012 5 20 GBBD COCCN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O 508439170 QKJLOFQVPNUUJE-UHFFFAOYSA-N 393.400 -0.289 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCCCN1CCN(c2ncccn2)CC1 512086575 AXDYMTHBFKGHBC-UHFFFAOYSA-N 375.393 -0.695 5 20 GBBD NC(=O)c1cccc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 552961647 KLYLTUIWUFIHHV-UHFFFAOYSA-N 375.385 -0.035 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 594827165 TXWARSVTUHQPDO-GXSJLCMTSA-N 380.400 -0.306 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CN1CCOCC1 597616351 KDWHVIKIOSDMCL-CQSZACIVSA-N 395.416 -0.797 5 20 GBBD CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 599508119 NWCJSBHTKJPDOC-BETUJISGSA-N 377.401 -0.132 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 600327839 VSFPEDREDDOMHK-UHFFFAOYSA-N 384.414 -0.195 5 20 GBBD NC(=O)CNC(=S)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 727066934 ZKWWSVBOJUTFMQ-UHFFFAOYSA-N 387.443 -0.739 5 20 GBBD CNC(=O)[C@@H](O)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 757692478 FOBUNCCOMTWPGK-ZDUSSCGKSA-N 388.402 -0.866 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 820249208 IZVLCIRVSUXOGC-UHFFFAOYSA-N 392.415 -0.974 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)C2(n3cnnn3)CCOCC2)ccc1[N+](=O)[O-] 850846976 XFHDHMYUTAFHRF-UHFFFAOYSA-N 396.385 -0.099 5 20 GBBD NS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 913211243 AGDQJUMRJFQKRA-UHFFFAOYSA-N 386.386 -0.008 5 20 GBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCCN1C(=O)CCC1=O 913259717 ZLHYJYKRPCWZFJ-UHFFFAOYSA-N 375.293 -0.117 5 20 GBBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ncccn2)CC1 913305296 LQXXRNKUZYQNPU-LBPRGKRZSA-N 389.372 -0.138 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1=O 1261133236 KELZVKHVZQVSDJ-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD C[C@@H](NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 1326620708 WLKBBYLMTALIEO-PWSUYJOCSA-N 384.414 -0.078 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 1329665074 PUDJXZNCPPHHGO-GFCCVEGCSA-N 384.776 -0.162 5 20 GBBD CO/C=C(\C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1797618233 PLNLPUNXOWVLBA-XMQLCBBWSA-N 393.400 -0.069 5 20 GBBD CN(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010873 IVNGGPAFEWMALZ-GNXNZQSNSA-N 380.405 -0.527 5 20 GBBD CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999351 WQDKCFYDGLCMNA-GFCCVEGCSA-N 393.404 -0.558 5 20 GBBD O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CCN1 1846420859 CGUMGAXYJNYDCM-GFCCVEGCSA-N 390.400 -0.479 5 20 GBBD COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCNC2=O)cc1[N+](=O)[O-] 24909063 HHDQWPFLWREQKB-UHFFFAOYSA-N 380.313 -0.572 5 20 GBBD O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CN1 210086251 BLVPOAOQRFKANL-LBPRGKRZSA-N 396.425 -0.046 5 20 GBBD COC[C@@H](CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC 272782587 RQEGYWKIUSWNOY-LLVKDONJSA-N 390.418 -0.166 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)c(C)c([N+](=O)[O-])c1 276821419 FOMGRTPYGYHDBS-SNVBAGLBSA-N 378.341 -0.025 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] 281577060 WBXRZULANJUKRR-LURJTMIESA-N 376.322 -0.349 5 20 GBBD COCC(=O)N1CCN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CC1 298718399 NKEXGWDTAWMEHX-UHFFFAOYSA-N 394.384 -0.207 5 20 GBBD Cc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c(C)cc1[N+](=O)[O-] 416390650 OWUUBBFUZOZVFB-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@H]21)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 478041283 MFSWFRGZXFPSHG-BPJKLTAVSA-N 397.409 -0.520 5 20 GBBD CCS(=O)(=O)N1CCC(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 564873855 UCBWOOJMURKCKH-CQSZACIVSA-N 375.451 -0.197 5 20 GBBD CCn1nncc1CN=c1[nH]c(C)c([N+](=O)[O-])c(=NCc2cnnn2CC)[nH]1 599116254 QIPDXAVHKAVTEA-UHFFFAOYSA-N 387.408 -0.016 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(=O)n(C)c1=O 731529362 YMILYCLGJFVMJG-UHFFFAOYSA-N 380.288 -0.247 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cnco1 1793565279 LKHPOPIVKACJID-DOFRTFSJSA-N 376.329 -0.177 5 20 GBBD CCN(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800164282 FSDMTZPDPIBBDV-FVCCEPFGSA-N 394.432 -0.139 5 20 GBBD C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829490542 YFPWBSKCQIXZSI-MEDUHNTESA-N 383.357 -0.361 5 20 GBBD COCCOCCS(=O)(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 269805613 VHXWYWYYWKUQII-ZIAGYGMSSA-N 378.403 -0.429 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C)[C@H]1C(N)=O 284865021 YHEXOYRCWGKJJV-PELKAZGASA-N 387.370 -0.355 5 20 GBBD C[C@@H]1OCC[C@@]1(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 447741431 KXQKBDYKUQTQPD-XHDPSFHLSA-N 387.414 -0.081 5 20 GBBD C[C@H]1C(=O)NCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 518021913 AFWUBPGMPYTGEU-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](CO)O1 574046572 PWXNXNIDNDHUDZ-JSGCOSHPSA-N 393.400 -0.753 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CCO1 583773295 RFLDCNYLICLSLS-CQSZACIVSA-N 378.385 -0.117 5 20 GBBD CN(CCCNS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1)S(C)(=O)=O 592135847 BRUSMHMSGJRNID-UHFFFAOYSA-N 395.415 -0.147 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@]1(OCCO)CCOC1 597996540 PYUNKCWUMBOAFJ-QGZVFWFLSA-N 396.400 -0.322 5 20 GBBD CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 600708859 HRYIKDKJZSGVBL-UHFFFAOYSA-N 395.401 -0.604 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1CS(N)(=O)=O 609619725 DYGDMQABFCVXIQ-MFKMUULPSA-N 384.414 -0.007 5 20 GBBD Cn1cc(COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c([N+](=O)[O-])n1 847784989 DHZCWNAYRSIRJB-UHFFFAOYSA-N 376.329 -0.426 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 1119080990 YQEGLRZNDYCRIX-CYBMUJFWSA-N 392.416 -0.089 5 20 GBBD Cn1c(=O)[nH]c(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(-c2nn[nH]n2)c1=O 1606202072 IVVXCHHLLGZIJC-UHFFFAOYSA-N 386.328 -0.571 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21)C(O)O 1783867582 HEEKQFOLRLVGNZ-HERUPUMHSA-N 395.368 -0.796 5 20 GBBD CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010978 NQHSFYVUFSZAAK-LSCVPOLPSA-N 380.405 -0.481 5 20 GBBD C[C@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354972 RBBFOKVSETVENL-YIYPIFLZSA-N 391.428 -0.011 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460295 AFHRKBWPPXAINP-UHFFFAOYSA-N 388.340 -0.940 5 20 GBBD NC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 28927104 CTSKZPXMGKYYMM-UHFFFAOYSA-N 385.402 -0.514 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)NC[C@H]1CCCCO1 264676087 RMEJBPCOEGDHMJ-GFCCVEGCSA-N 375.407 -0.604 5 20 GBBD NC(=O)c1cccnc1N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269074368 AWFBFITUQYCALM-UHFFFAOYSA-N 388.388 -0.183 5 20 GBBD O=C(O)C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 274875218 BQASBGDGRXGQNL-ZCFIWIBFSA-N 376.299 -0.428 5 20 GBBD CS(=O)(=O)CCS(=O)(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 275150837 YNQJOJIPFCNLDG-NSHDSACASA-N 380.400 -0.446 5 20 GBBD O=C1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N1 434084521 JMKUHKVYSWYDAN-NSHDSACASA-N 399.429 -0.159 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 481864253 FRUATOKKKYPPJQ-JTQLQIEISA-N 375.407 -0.453 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] 533781996 WFTTWNQECSIHCP-JTQLQIEISA-N 386.386 -0.777 5 20 GBBD O=C(NCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cc[nH]n1 542795360 BAHKIVLWENBOQN-UHFFFAOYSA-N 388.388 -0.026 5 20 GBBD C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 546899424 UGCSOPXMCCGPQL-RYUDHWBXSA-N 386.434 -0.139 5 20 GBBD CN1CCN(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)CC1=O 563269706 OQRFUXQLLDRIBU-UHFFFAOYSA-N 387.400 -0.160 5 20 GBBD CO[C@](C)(CO)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 594380811 ADNKXBRFQLCVLY-AWEZNQCLSA-N 375.403 -0.223 5 20 GBBD NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 596783175 BNWSBJXOKNDULV-LBPRGKRZSA-N 398.445 -0.446 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 600228217 CPSWFJIRHGOCMW-CYBMUJFWSA-N 389.372 -0.055 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 755271008 KIURIEDYOTYMRO-GFCCVEGCSA-N 383.386 -0.008 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)n1 755562939 LBLIMYIRUCPSRD-UHFFFAOYSA-N 391.406 -0.634 5 20 GBBD C[S@@](=O)CCN1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 782327312 HOMJIEQBJZQCRJ-HSZRJFAPSA-N 376.460 -0.257 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785654950 UQYGVHBYTVJQDS-ZDUSSCGKSA-N 381.389 -0.485 5 20 GBBD COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826158088 ZOQPKPKSDWQOIU-MRVPVSSYSA-N 399.389 -0.714 5 20 GBBD Cc1noc(COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1[N+](=O)[O-] 853887471 GJGJMJWXSJXQFU-UHFFFAOYSA-N 392.328 -0.228 5 20 GBBD C[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1331107240 SRUVIFYFEDMXCF-GOSISDBHSA-N 390.396 -0.138 5 20 GBBD Cc1nn(C)c(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1[N+](=O)[O-] 1337322665 UVQCXXJATDFKBD-UHFFFAOYSA-N 377.361 -0.056 5 20 GBBD NC(=O)C[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1344988455 CHADOLIZUDXHRJ-NSHDSACASA-N 376.369 -0.092 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NCCN2CCOCC2)c1 1582803675 PYHNWBFGJNRQDQ-UHFFFAOYSA-N 383.390 -0.615 5 20 GBBD CN1C(=O)CN(CC(=O)OCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1=O 1591165547 LXSDZWNTUWZBCD-UHFFFAOYSA-N 375.301 -0.288 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(-c2nn[nH]n2)c1 1593486035 JMOGWSGWIDYDTK-JTQLQIEISA-N 394.417 -0.521 5 20 GBBD O=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)CN1 1792356964 QRPVXLSLBPDODM-YYHMBLRTSA-N 392.368 -0.473 5 20 GBBD NCC(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1837836801 VJUDDUXOCGXCQZ-UHFFFAOYSA-N 380.405 -0.111 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CNCCO2)CC1 262620743 IKDYXDKNOZJILP-AWEZNQCLSA-N 398.441 -0.275 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 264377389 DQQLIXIHOAWMOK-TZMCWYRMSA-N 388.446 -0.160 5 20 GBBD CN1CC[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 265785097 WAOKUAGEZUKAPO-GFCCVEGCSA-N 399.429 -0.255 5 20 GBBD C[C@@H](C[S@](C)=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 273130719 SYQIXPDQXQYKDO-JUZXBQNTSA-N 392.459 -0.061 5 20 GBBD CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])[nH]n1)C(=O)NCCN1CCOCC1 285876216 JFIMSUDZSOYTGE-SMDDNHRTSA-N 382.421 -0.089 5 20 GBBD CCNC(=O)c1ccc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 413072813 LQZWHFKHTWGTLT-UHFFFAOYSA-N 394.413 0.525 5 20 GBBD Cc1c(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 446523709 VFDUYONEAKBSMW-LLVKDONJSA-N 385.398 -0.150 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN(C)CCN1C 468786192 BPMKYGJJADQBBA-GFCCVEGCSA-N 386.430 -0.095 5 20 GBBD COC(=O)[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 487759403 MKRAXSYRKDMZPI-LLVKDONJSA-N 377.309 -0.409 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]12 490849868 BUYQFTVDVQNMQP-LLVKDONJSA-N 376.325 -0.329 5 20 GBBD Cc1c(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)nnn1-c1cccc([N+](=O)[O-])c1 500560804 YUCYFQSYQTURTD-UHFFFAOYSA-N 397.355 -0.129 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)C1CCOCC1 531301211 SBNCSODJSWZYFH-CQSZACIVSA-N 387.414 -0.223 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 577757684 BVAPEZDRHKCSQC-UHFFFAOYSA-N 393.399 -0.441 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCCN2CCN(c3ncccn3)CC2)c1 582482027 QZVFIJQRZDVEDD-INIZCTEOSA-N 390.448 -0.256 5 20 GBBD CCS(=O)(=O)N[C@H](C)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 597501917 ZCZFOXGUHZZTRQ-SNVBAGLBSA-N 393.443 -0.188 5 20 GBBD Cc1cc(=O)c(C(=O)NCCc2nnnn2C)nn1-c1ccccc1[N+](=O)[O-] 611315979 RUVZAUDLCOLSTJ-UHFFFAOYSA-N 384.356 -0.055 5 20 GBBD CC1(C)NC(=O)N(CCS(=O)(=O)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O 729782740 BDPNYAUUZXQMEJ-UHFFFAOYSA-N 398.397 -0.061 5 20 GBBD Cn1nncc1S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 781741655 MJAATRGHACPFKE-UHFFFAOYSA-N 396.385 -0.321 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813947784 XMEZHEABFCSUAE-UHFFFAOYSA-N 386.386 -0.258 5 20 GBBD COC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 821657638 RZGXRMGXGGOZQO-SECBINFHSA-N 398.357 -0.663 5 20 GBBD CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824214324 FOEXYTNPNXKTOQ-LBPRGKRZSA-N 395.401 -0.080 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 1261165031 ITCZNZVUYNOWRZ-CQSZACIVSA-N 380.405 -0.769 5 20 GBBD C[C@@H](NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 1321767896 SWJKSGFQFFVWCG-SNVBAGLBSA-N 384.414 -0.220 5 20 GBBD CN1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 1323294153 GFJITRPVASVKSV-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD CO[C@@]1(CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCOC1 1323817299 SCXQVJIUKINODS-MRXNPFEDSA-N 381.389 -0.124 5 20 GBBD CCN(CCNC(=O)CNC(C)=O)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1578004727 NNEDWBICMFDOAW-UHFFFAOYSA-N 376.377 -0.147 5 20 GBBD O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCCS(=O)(=O)N1CCOCC1 1593483625 YXRPMDCIOQYHLW-UHFFFAOYSA-N 383.390 -0.151 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN(C(=O)C(=O)O)CC2)cc1[N+](=O)[O-] 1777258484 PZTIAZXOWQQDAG-UHFFFAOYSA-N 391.333 -0.340 5 20 GBBD Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1795978813 KJZPVBMKUAJEKF-WDAIWFPHSA-N 389.372 -0.134 5 20 GBBD C[C@@H]1CN(C(=O)COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCO1 11285217 YZTCCWAEKSYAAD-SNVBAGLBSA-N 391.336 -0.019 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCN(C(C)=O)CC1 41721311 RXCMIIRENUMCOZ-UHFFFAOYSA-N 393.400 -0.178 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1CCCS1(=O)=O 147897140 FBQVJBZWXOTLDN-UHFFFAOYSA-N 396.381 -0.658 5 20 GBBD NC[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 595931144 VTLXGODYRGBFDL-TZMCWYRMSA-N 398.441 -0.209 5 20 GBBD C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN1S(C)(=O)=O 596477036 AIBAODYLOTWAGJ-SECBINFHSA-N 378.432 -0.288 5 20 GBBD CCS(=O)(=O)C1(CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 598382731 HHXWTMNWTXMBBA-UHFFFAOYSA-N 391.427 -0.061 5 20 GBBD C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748134625 PHHMSNNPIWLWII-ZYJFBCHUSA-N 378.341 -0.115 5 20 GBBD CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1nn(CC)cc1[N+](=O)[O-] 755777780 CTGCXPGIPUGUQD-VIFPVBQESA-N 389.390 -0.187 5 20 GBBD CN(CC(=O)O[C@H]1CCC(=O)NC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 798624376 VGXPBZSLUXQPIE-NSHDSACASA-N 385.354 -0.436 5 20 GBBD C[C@H](O)CN1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 1327251469 VQQKXNKUABUPOQ-ZDUSSCGKSA-N 392.412 -0.291 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784720571 RUQDFYHTCQKDOI-ZBEGNZNMSA-N 379.373 -0.202 5 20 GBBD CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011096 NYVQPMSZVURWMN-ZCURGHERSA-N 394.432 -0.106 5 20 GBBD CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1834710463 WGVQOHQMFYIOPS-INIZCTEOSA-N 381.341 -0.153 5 20 GBBD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847821434 XRNHKJACFVCKTP-KBPBESRZSA-N 392.416 -0.092 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)NCCc1ccc([N+](=O)[O-])cc1)c(=O)n2C 54168262 VZBMYEYPRNKRFK-UHFFFAOYSA-N 386.368 -0.299 5 20 GBBD COC[C@H](O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 265348805 ASIUUMFLQQNJEP-LLVKDONJSA-N 376.391 -0.820 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CCN2C1=O 268553375 BTECBVLQDAZDCG-VIFPVBQESA-N 388.789 -0.421 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c(C)c([N+](=O)[O-])c1 276941789 UVHNYDAAZWFMMK-SECBINFHSA-N 392.324 -0.450 5 20 GBBD Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1 289520697 BFRRRNMLBGXJKU-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NC[C@@H]2C[C@H](F)CN2)c([N+](=O)[O-])c1 366519164 MIHZSKGYRHZOGK-UWVGGRQHSA-N 389.409 -0.140 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@@H]2C1 377143545 VFKGVGLVCJLWRM-GFCCVEGCSA-N 391.384 -0.425 5 20 GBBD O=C(NCCN1CCNCC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 419863737 IEYIYYJDBDIHDT-UHFFFAOYSA-N 377.401 -0.794 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424367324 LJLPQKRZUNXHMU-LLVKDONJSA-N 378.384 -0.224 5 20 GBBD O=C(CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 464202167 YMEPMBMIAGTUQF-UHFFFAOYSA-N 380.382 -0.032 5 20 GBBD Cn1ccc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 597573106 ZIRBKTUDYFAKIA-JTQLQIEISA-N 390.356 0.281 5 20 GBBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)CC(N)=O)ccc1[N+](=O)[O-] 766922295 KLTJOWJRCKDJFW-LBPRGKRZSA-N 398.397 -0.561 5 20 GBBD CNC(=O)[C@@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 781576446 GAHITSUCLDTWSO-ZDUSSCGKSA-N 377.357 -0.232 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1323468712 JIOSOBQZPXWTDQ-AWEZNQCLSA-N 398.441 -0.206 5 20 GBBD C[C@@H]1CN(CCO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603936185 JACZNKIZPKSKHN-SNVBAGLBSA-N 397.417 -0.538 5 20 GBBD CS(=O)(=O)NC[C@H]1COCCN1c1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] 1605358242 MCOFTRWNRPBWEW-ZETCQYMHSA-N 389.419 -0.409 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383429 MFTPCIZZWSHTSK-QFYYESIMSA-N 394.388 -0.727 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783479336 FFULNYLQCOUBRM-BZNIZROVSA-N 379.373 -0.060 5 20 GBBD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)n1 1792353419 UYYAWEORTGRZRW-DDFAGTSDSA-N 390.356 -0.167 5 20 GBBD NC(=O)c1ccc(SCC(=O)OCC(=O)N2CCNC2=O)c([N+](=O)[O-])c1 24914996 UMPGVVNCVFINBZ-UHFFFAOYSA-N 382.354 -0.119 5 20 GBBD C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 272853684 RBGOKYQNYOFCQQ-DETPVDSQSA-N 399.425 -0.298 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 299381993 HKFNJNWCLATZNS-JTQLQIEISA-N 375.334 -0.214 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCn1cc(CO)nn1 426659783 IRPLRPPFNQJUKH-UHFFFAOYSA-N 398.401 -0.837 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 469362087 KPIWALBKXPSDJO-JTQLQIEISA-N 398.353 -0.694 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 492634491 XDUQHFLINFGEDP-UHFFFAOYSA-N 399.429 -0.598 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c([N+](=O)[O-])n1 533174671 ZLIVWJIFBBFFSP-GFCCVEGCSA-N 389.434 -0.027 5 20 GBBD Cc1cc(C(=O)NCC(=O)N[C@H](C)C(=O)N2CCOCC2)ccc1[N+](=O)[O-] 542950804 ZVBCEVICLRPMFK-GFCCVEGCSA-N 378.385 -0.003 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCCS(=O)(=O)CC1 556253670 OVJDTZUYKZZREZ-UHFFFAOYSA-N 383.382 -0.033 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 598026761 GGFYQMMSEXIBOE-YPMHNXCESA-N 385.398 -0.439 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 619573256 FTTSJSSGJVTZRL-JTQLQIEISA-N 378.297 -0.997 5 20 GBBD C[C@@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N1CCNC1=O 729597125 SPBJNNRJTWBNBK-MRVPVSSYSA-N 390.308 -0.326 5 20 GBBD Cn1cc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)n(C)c1=O 735152562 ALXXCONZUWQKCV-UHFFFAOYSA-N 380.288 -0.073 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)[C@@H]2CCOC2)cc1[N+](=O)[O-] 802083296 HBVGORKZHHQJIK-SECBINFHSA-N 378.384 -0.153 5 20 GBBD CN(C)C(=O)c1cccc(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 1323567462 IYACAJUCLJARCB-UHFFFAOYSA-N 388.384 -0.074 5 20 GBBD CCN1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1=O 1604340950 PHLYLCHBXDXNEX-SNVBAGLBSA-N 381.374 -0.326 5 20 GBBD NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1790850870 WQBJNWVEHJKJBV-DCAQKATOSA-N 394.388 -0.823 5 20 GBBD CC[C@@H](O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841282802 HDTFOBOUKNELOG-CYBMUJFWSA-N 378.385 -0.269 5 20 GBBD NC(=O)[C@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1 50857564 DGDHPNUMNXDNEO-CYBMUJFWSA-N 378.341 -0.004 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 268053096 URKJJCMEECYYSH-UHFFFAOYSA-N 381.432 -0.038 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 271402916 RSLZSEOKFNSUGD-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD O=C(NCCN1C(=O)NC2(CCCC2)C1=O)NCCn1cc([N+](=O)[O-])cn1 477224380 ROFRRCMBYLPSHX-UHFFFAOYSA-N 379.377 -0.045 5 20 GBBD CN(C)C[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 504882319 NKMDSOFYXFWPBN-OAHLLOKOSA-N 388.446 -0.308 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)C1 544640567 XMWKYLJXTUVSFV-SNVBAGLBSA-N 391.427 -0.145 5 20 GBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 577654929 PXDVYCFRNNRYHU-JTQLQIEISA-N 375.407 -0.170 5 20 GBBD CN1CCNC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 578858808 VYQLGDRYOATGLQ-CYBMUJFWSA-N 385.446 -0.765 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 599421925 JLPRQBLYBADWRY-UHFFFAOYSA-N 393.399 -0.697 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 609522374 DPNDLLOYJVBVNC-ZDUSSCGKSA-N 394.432 -0.509 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1=NC=CN2CCS(=O)(=O)N=C12 761348261 KJTXRQDCUSYVQZ-UHFFFAOYSA-N 395.353 -0.731 5 20 GBBD O=C1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 826479851 KHXGHPLHUXUBCK-SECBINFHSA-N 393.385 -0.230 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCOC2=O)C1 855501702 YUXONQQCSYEQLG-NSHDSACASA-N 398.397 -0.074 5 20 GBBD CN1CC[C@@H](C(=O)OCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])S1(=O)=O 1604849247 GVHQBULQZKTFDU-NSHDSACASA-N 382.358 -0.148 5 20 GBBD O=C1OC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@H]12 1607054632 JCIYTUKMXHBXSU-YUMQZZPRSA-N 380.342 -0.432 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419744 SUNGCMUTTLWKLY-DIFFPNOSSA-N 393.400 -0.109 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)c1cn[nH]c1 1787614153 HSTMHOQCBMOAKY-GAFUQQFSSA-N 389.372 -0.052 5 20 GBBD O=C(O)CSCC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412888 AINMAGSVCNUGRZ-UHFFFAOYSA-N 383.386 -0.047 5 20 GBBD CCS(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 52152684 SQTLOETYPZPNPQ-UHFFFAOYSA-N 384.414 -0.182 5 20 GBBD Cn1nccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 274137544 IYYIDPHAXRRIEI-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCNS(C)(=O)=O 276077730 FSRKTBHYTONXHG-UHFFFAOYSA-N 395.415 -0.401 5 20 GBBD COC[C@@]1(C)NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 277244792 HNOLLPVQTYQRPY-CQSZACIVSA-N 386.386 -0.170 5 20 GBBD C[C@@H]1CCNC(=O)[C@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 282187974 NPRSAVOXHFVBIE-OTYXRUKQSA-N 399.429 -0.315 5 20 GBBD O=C(NCCN1CCS(=O)(=O)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 298767487 MYJOJWNZKPTBGG-UHFFFAOYSA-N 385.398 -0.174 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 427508306 ZWTGJPJDDIPDOY-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD Nc1nccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1[N+](=O)[O-] 548058893 BYZDUYPTNNDVIL-UHFFFAOYSA-N 375.432 -0.320 5 20 GBBD CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 566317083 VRIQLROCJKXSPN-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD CO[C@](C)(CO)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 594215026 LCYIDLLWOSCEAS-AWEZNQCLSA-N 390.418 -0.430 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 599272133 QKLYUVAUVYSGHN-UHFFFAOYSA-N 393.447 -0.437 5 20 GBBD COc1cc(CCNC(=O)NCCS(N)(=O)=O)c([N+](=O)[O-])cc1OC 603802138 VJXBMEIHMCRFPY-UHFFFAOYSA-N 376.391 -0.258 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 745336231 IRUVFEONKGDITD-UHFFFAOYSA-N 392.412 -0.087 5 20 GBBD C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 820774438 CWJYTKUIUYAZSH-JTQLQIEISA-N 399.375 -0.501 5 20 GBBD COC(=O)NCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 836648286 QFWRDYANQWVCSX-UHFFFAOYSA-N 389.390 -0.472 5 20 GBBD Cc1nn(C)c(N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1[N+](=O)[O-] 853669936 XHMHALWFXVBNDG-UHFFFAOYSA-N 380.452 -0.269 5 20 GBBD Cn1c(-c2nc[nH]c2[N+](=O)[O-])nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1263483411 NATBRBMWFFSJTR-SNVBAGLBSA-N 376.377 -0.059 5 20 GBBD C[S@](=O)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1591683460 WZXVTMSNZSRSGO-DEOSSOPVSA-N 386.415 -0.036 5 20 GBBD O=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)=NN1 1780416698 FIOMLJHPFQDLCA-INIZCTEOSA-N 390.356 -0.758 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793430081 BDMBSCHYUGGEEI-GUDRVLHUSA-N 394.388 -0.967 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793659257 AUCPHCOGKGDMTL-RVMXOQNASA-N 392.416 -0.059 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010890 JJWCBHXTMQFXQY-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD O=C1NC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)O1 1798744504 BAGJQPSTMJXHOM-PKCZLINISA-N 393.356 -0.766 5 20 GBBD C[C@@H](CN1CCN(C)CC1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 264489677 XZEICBCEMILNOU-LBPRGKRZSA-N 389.412 -0.057 5 20 GBBD COc1ccc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)c([N+](=O)[O-])c1 288903925 JVGMPJHUOSPPMY-UHFFFAOYSA-N 382.420 -0.722 5 20 GBBD Cn1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 363079687 GCTFVIPFVCIWFH-PWSUYJOCSA-N 395.397 0.091 5 20 GBBD NC[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 364304578 MAXAWUTYMPAFED-UKRRQHHQSA-N 398.441 -0.066 5 20 GBBD Cc1c(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 446523711 VFDUYONEAKBSMW-NSHDSACASA-N 385.398 -0.150 5 20 GBBD COC(=O)COc1ccc(CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] 475099739 XYVYKHHVIKXEMZ-LBPRGKRZSA-N 378.341 -0.117 5 20 GBBD NC(=O)[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 552188350 QYKPUTCBNBSPAQ-VFZGTOFNSA-N 382.398 -0.290 5 20 GBBD C[C@H](N)C[C@H](C)NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 563537615 UDYJEVNWHIEGTR-QWRGUYRKSA-N 386.430 -0.273 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@H]1C(N)=O 577625218 BRERXNCVSFGBFF-CHWSQXEVSA-N 384.414 -0.157 5 20 GBBD O=C(NCC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1)NCc1ccc([N+](=O)[O-])cc1 595999435 ACWRKBBKALFXSV-SJKOYZFVSA-N 392.368 -0.046 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598895493 XRZKVRPJTFNQSB-UHFFFAOYSA-N 385.402 -0.180 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)n1 599300853 YAELHJKBDAHCBV-DTWKUNHWSA-N 381.436 -0.676 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] 611508277 LDGDHURPTDZYAR-GFCCVEGCSA-N 377.357 -0.084 5 20 GBBD O=C(C(=O)N1C[C@@H](CO)[C@@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839209149 GATWTBFNHGJXDQ-WFASDCNBSA-N 378.385 -0.945 5 20 GBBD O=C(COC(=O)[C@H]1CCS(=O)(=O)N1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 845365665 ANHCKQNGEDJSOG-SSDOTTSWSA-N 387.326 -0.503 5 20 GBBD CO[C@]1(CO)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1591343009 NKVCFJBQMAHMNK-CQSZACIVSA-N 398.401 -0.063 5 20 GBBD COCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792840254 DCLAIQGNRLOGSB-FVCICTRLSA-N 395.416 -0.193 5 20 GBBD CC(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999787 MUXUBUWGTICJCB-NOXHYTERSA-N 395.416 -0.602 5 20 GBBD C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829490544 YFPWBSKCQIXZSI-ZBEGNZNMSA-N 383.357 -0.361 5 20 GBBD O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1)N1CCOCC1 11380363 QBIKZTHBHRMQIM-UHFFFAOYSA-N 390.356 -0.362 5 20 GBBD CCN1C[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 265292394 VIFWANXSGIQTOH-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 273580736 PHDNKRMGHLTVQL-KCJUWKMLSA-N 387.370 -0.355 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 299020461 RDUXGAJSCAJHSA-UHFFFAOYSA-N 388.402 -0.409 5 20 GBBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 436959877 FEZWZPKOZBCDHU-UWVGGRQHSA-N 385.398 -0.030 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] 437350055 ZUBXTXIGFMKCPU-SNVBAGLBSA-N 386.386 -0.179 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCS(=O)(=O)CC1 516304838 VPKLVEREYIWLTA-UHFFFAOYSA-N 377.444 -0.088 5 20 GBBD O=[N+]([O-])c1cccc2ncnc(N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)c12 544394162 HFXDDXSMEDRCRY-KBPBESRZSA-N 393.425 -0.182 5 20 GBBD O=C1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C2CCNCC2)N1 567612919 CKDCEEAYOZTQGS-RISCZKNCSA-N 383.430 -0.085 5 20 GBBD Cn1nncc1S(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 590176058 BHSJWNRMXNGGIP-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 592306797 FEDNUYBFZJHIFN-RISCZKNCSA-N 386.430 -0.162 5 20 GBBD Cc1[nH]c(=NCC[C@]2(O)CCOC2)[nH]c(=NCC[C@@]2(O)CCOC2)c1[N+](=O)[O-] 593494736 ICLGXOMGRLDOCX-SJORKVTESA-N 397.432 -0.556 5 20 GBBD O=C1CN(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1 732355096 CJNMINVZNMVBBP-UHFFFAOYSA-N 380.269 -0.643 5 20 GBBD O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 804586158 RVPNVBPJPWMSOW-OLZOCXBDSA-N 386.386 -0.217 5 20 GBBD COC(=O)CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 823497616 HUNHNYQVZCPAGX-UHFFFAOYSA-N 381.341 -0.123 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 834397056 KQNGKKBOUIOTJA-UHFFFAOYSA-N 381.374 -0.558 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](CO)CN1CCOCC1 847139366 JIVHBNYWHIVYMN-CYBMUJFWSA-N 397.384 -0.396 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1324386926 GZWULLNFJUTRGK-UHFFFAOYSA-N 384.414 -0.250 5 20 GBBD CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404071 DFLDHMZRSQIEKM-PTEHBNRSSA-N 381.389 -0.052 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)c(=O)n2C 57836539 SLQDZZXFERPTKG-UHFFFAOYSA-N 384.352 -0.069 5 20 GBBD C[C@@H](O)CN(C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)CO 288646922 XEMNHVDXQDGSHX-NXEZZACHSA-N 379.373 -0.323 5 20 GBBD Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1[N+](=O)[O-] 432960440 OLFZHKONRLUODM-UHFFFAOYSA-N 383.390 -0.493 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 468818492 DDFWURBDKOJLGI-VIFPVBQESA-N 393.399 -0.567 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[S@](=O)C1 475139286 OUOAZVAKQWZETP-ZZDSUILFSA-N 390.443 -0.307 5 20 GBBD NC(=O)C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 588931481 HDPZVKJSTXJVMB-NSHDSACASA-N 384.414 -0.013 5 20 GBBD CN(CC(=O)N1CCOC[C@@H]1C(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 590645302 NSBXYOOWZCSPIP-GFCCVEGCSA-N 387.370 -0.473 5 20 GBBD COC(=O)[C@H]1CNCCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 592552503 ZFVZHQVPVAHFCT-CYBMUJFWSA-N 392.368 -0.316 5 20 GBBD CC(=O)N1CCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598590219 MOJWCCSDGMBGBO-UHFFFAOYSA-N 379.421 -0.203 5 20 GBBD CN(CC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600576378 AFLPFKJSPMVIQJ-KLPPZKSPSA-N 384.414 -0.062 5 20 GBBD Cc1cc(=O)c(C(=O)N2CC(=O)N(C)C(=O)C2)nn1-c1ccccc1[N+](=O)[O-] 619875113 MLFRPFAESKIALF-UHFFFAOYSA-N 385.336 -0.110 5 20 GBBD CN(CC(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccccc1[N+](=O)[O-] 772633116 OQVAPJFUKCLINK-UHFFFAOYSA-N 395.397 -0.027 5 20 GBBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 781667395 CAADAJJWEXYENF-DTWKUNHWSA-N 386.386 -0.237 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 783785074 HYYKIHVCSRCIBZ-BMIGLBTASA-N 384.414 -0.115 5 20 GBBD Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1=O 826356751 DOAQYPKXUYZZCZ-UHFFFAOYSA-N 397.311 -0.266 5 20 GBBD O=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1335343137 SHMPSSOSOJMJFT-LBPRGKRZSA-N 396.425 -0.453 5 20 GBBD O=C(NCCO)C1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 1348537440 ZPJJBKIRWJQBOM-UHFFFAOYSA-N 380.405 -0.454 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788810029 YVJAKHNLCMTUAC-KWBADKCTSA-N 389.372 -0.052 5 20 GBBD C/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837799279 ZBHPXAHNSCTNPM-WOMSROEHSA-N 379.373 -0.036 5 20 GBBD O=C1CN(CC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)C(=O)N1 1841892224 LEBPCWIWICWCPB-UHFFFAOYSA-N 390.356 -0.708 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 264440450 BTFKFUINEXFQFW-UHFFFAOYSA-N 393.356 -0.609 5 20 GBBD CCCc1[nH]nc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] 264600981 JRFYNCMDBGRWBT-UHFFFAOYSA-N 377.365 -0.759 5 20 GBBD CCN(CCNC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)Cn1ccc([N+](=O)[O-])n1 275583576 ZMSFAFWEXNHSIZ-UHFFFAOYSA-N 394.348 -0.439 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 287582189 AFOBUCATQPMYJS-GFCCVEGCSA-N 390.356 -0.939 5 20 GBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCCN1C(=O)CNC1=O 465126296 DUHIJKOMGPNTBE-UHFFFAOYSA-N 378.341 -0.033 5 20 GBBD NC(=O)[C@H]1CC[C@H](C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)O1 565742911 RSKMHNUWLBGDAG-ZIAGYGMSSA-N 388.384 0.489 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 592910280 SUOOQOHNUJTIBA-VXGBXAGGSA-N 395.368 -0.284 5 20 GBBD COC(=O)C[C@H](O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 600467340 KBQJOSQYXYSJIV-NSHDSACASA-N 389.386 -0.697 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCc1nnnn1C 611312941 NYJIAPWFCIEAFR-SECBINFHSA-N 397.417 -0.078 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 845435909 JWJPRPDNLGFSQT-UHFFFAOYSA-N 381.370 -0.206 5 20 GBBD CNc1nccc(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c1[N+](=O)[O-] 848791773 RKBOVQFUDWBSTC-UHFFFAOYSA-N 389.328 -0.338 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 1328816940 QAIZQWYIQZGSRH-INIZCTEOSA-N 377.445 -0.042 5 20 GBBD COC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794001175 MPCUCYPOTUGJBK-JFILPPLUSA-N 395.416 -0.337 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401532 NEGWNCBVDKJVSJ-ZSBIGDGJSA-N 387.356 -0.375 5 20 GBBD CN(CC(=O)NC1(CO)CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 273950696 HNGSINGHANEEON-UHFFFAOYSA-N 387.414 -0.127 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 283531229 MGOXGQSUPGKCGF-UHFFFAOYSA-N 378.432 -0.326 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1[N+](=O)[O-] 424364428 DOTKRCIEFYNPCH-NSHDSACASA-N 378.384 -0.224 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@H](C(=O)O)C2)c([N+](=O)[O-])c1 424471627 NVDJLFVKKFCNSY-NSHDSACASA-N 393.399 -0.809 5 20 GBBD COc1cccc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 444095322 CGQKYFZXPONXTR-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC(=O)NCC1CC1 478717320 UBVWSORADQJWPH-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCn1cc([N+](=O)[O-])cn1 489953473 LQMJQQVIJFVCGC-AUZPSNTRSA-N 388.384 -0.102 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 512011109 SWBMKBHULVGNLL-UHFFFAOYSA-N 398.376 -0.142 5 20 GBBD COCc1noc(CN2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)n1 571102401 LNGJUEPOUFAMAF-UHFFFAOYSA-N 377.361 0.059 5 20 GBBD CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 588676730 VPNHQJSWTQYUBI-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N1 599525553 JWPUOYKHWQQBRA-WDEREUQCSA-N 384.414 -0.096 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 609522523 VGJVBUXIYQTIJK-CQSZACIVSA-N 394.432 -0.427 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 612654806 ZXXYJJKINOZODD-UHFFFAOYSA-N 393.447 -0.829 5 20 GBBD Cc1nc(S(=O)(=O)NCCC(=O)OCCn2cc([N+](=O)[O-])cn2)cn1C 748121442 RBUUBXHOIAMHCX-UHFFFAOYSA-N 386.390 -0.255 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)[C@@H]1CCCOC1 780606662 XQCIBWLYHKGCRY-SECBINFHSA-N 397.365 -0.184 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1C(=O)C(=O)N(C)C1=O 817369967 JBHUCQFHFODKOE-UHFFFAOYSA-N 399.385 -0.817 5 20 GBBD CCn1ncn(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 854629736 JXEDSLSJZQEZKE-UHFFFAOYSA-N 384.374 -0.636 5 20 GBBD O=C1CCCN1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1593392079 HFDSDROWBBKHCX-UHFFFAOYSA-N 381.374 -0.324 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843358030 TYDMVANHMPUPCA-UHFFFAOYSA-N 389.328 -0.350 5 20 GBBD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)n1ccnn1 1848163916 GGHNIPVTLZHLBQ-XBFCOCLRSA-N 388.388 -0.154 5 20 GBBD CN(C)C(=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265267917 BWSHSXXVBWORLH-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD CCOc1ccc(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 268956322 VMELWUAFQICJFI-NSHDSACASA-N 391.384 -0.425 5 20 GBBD COCCN1C[C@@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 273247007 GFSQLNFTJLZDCU-LBPRGKRZSA-N 399.425 -0.020 5 20 GBBD C[C@@]1(C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)NC(=O)NC1=O 426974379 WSLPRUAKFFEJOL-HNNXBMFYSA-N 379.377 -0.189 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] 442021869 IXJYPQUBRWTDMK-JTQLQIEISA-N 377.313 -0.696 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C[C@H]12 489597571 SFOHETGTSBIRFG-LLVKDONJSA-N 389.324 -0.917 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 532797487 PGSMBRFETNTNLY-SECBINFHSA-N 378.432 -0.064 5 20 GBBD Cn1c(COC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc(=O)n(C)c1=O 731735865 SVKKLAMTNBJBSW-UHFFFAOYSA-N 377.309 -0.073 5 20 GBBD CC(=O)NCC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br 764781635 DQIQRTUTZFTDNW-UHFFFAOYSA-N 395.191 -0.120 5 20 GBBD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851326686 BYLOKCNYIBDBOI-AOOOYVTPSA-N 396.381 -0.030 5 20 GBBD Cn1c(-c2nc[nH]c2[N+](=O)[O-])nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1263483410 NATBRBMWFFSJTR-JTQLQIEISA-N 376.377 -0.059 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1599622641 XGDYKSUBAHIWON-LBPRGKRZSA-N 381.341 -0.078 5 20 GBBD COC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008916 ONYIUTHPSYQJMI-PEGIJTEDSA-N 381.389 -0.054 5 20 GBBD O=C1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CN1 1844410677 DPGIOQFUQYUHFK-SNVBAGLBSA-N 376.373 -0.339 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 273463784 IYKHRZCKDQSACM-ZDUSSCGKSA-N 397.457 -0.015 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 274131873 WGBAHPFTPHDXQY-NSHDSACASA-N 392.411 -0.136 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)O)C[C@H]1C(N)=O 275202697 ZCYXMXGIRRYSPN-WPRPVWTQSA-N 387.370 -0.057 5 20 GBBD NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 276577007 LARUWJRNXNPXRB-UONOGXRCSA-N 376.369 -0.088 5 20 GBBD COc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] 299627828 QFNWIFSLOZIDQX-JSGCOSHPSA-N 399.425 -0.169 5 20 GBBD CNC(=O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 422223061 BKKWUEIQARZLED-NSHDSACASA-N 399.429 -0.349 5 20 GBBD O=C(O)Cn1cc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nn1 439692779 LIKGQVQSNXECLN-UHFFFAOYSA-N 376.329 -0.293 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@](C)(O)CN1CCOCC1 443258532 WGDSYBHUQWOEAP-HNNXBMFYSA-N 389.430 -0.035 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 468650253 XWVYBTDXYLJJLL-SNVBAGLBSA-N 396.381 -0.714 5 20 GBBD CCn1cc(S(=O)(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])n1 490072979 DJTJPVPAUPWISU-SECBINFHSA-N 381.436 -0.534 5 20 GBBD CN(C)C(=O)NCCN(C)C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502814159 KKXKHVAPJPAWGZ-UHFFFAOYSA-N 391.388 -0.183 5 20 GBBD NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 536252096 APPBCUKEKBJWIY-MRVPVSSYSA-N 393.399 -0.583 5 20 GBBD Cn1c(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 761062626 WJIDYDNELDHRPW-QMMMGPOBSA-N 388.358 -0.897 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821588237 IFHVCEBJIBHXQC-UHFFFAOYSA-N 383.394 -0.902 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(-c4nn[nH]n4)c3)C[C@@H]12 1605151052 IGUSWFVFWFIBQU-WCQGTBRESA-N 395.401 -0.395 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1781546899 BNIZDIJICRLHLW-MRXNPFEDSA-N 383.332 -0.512 5 20 GBBD NC(=O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 57453963 STZKIEAZKDCFDQ-LLVKDONJSA-N 399.429 -0.220 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])s1 264212807 UBHYLJMNQIYMDW-UWVGGRQHSA-N 375.428 -0.116 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 287426678 PTTJGRSRTPYFHH-UHFFFAOYSA-N 394.431 -0.626 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCS(=O)(=O)N(C)C 290272493 BLGALNLMQTZMQJ-UHFFFAOYSA-N 388.402 -0.060 5 20 GBBD C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC(=O)N1 295677461 GRBHVDPTGXWNFZ-LLVKDONJSA-N 384.414 -0.060 5 20 GBBD CNC(=O)CCN(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 298301092 IKRLUHJUMGADMT-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD O=C(O)[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 615778813 ZWNSMSJRQGNGIB-NEPJUHHUSA-N 387.370 -0.379 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1=O 1325953199 NELUFRPGJOTPSH-ZDUSSCGKSA-N 390.352 -0.552 5 20 GBBD C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)O[C@H](C)C[N+](=O)[O-] 1589888959 FTJUKVZEJAZSHI-BDAKNGLRSA-N 384.374 -0.258 5 20 GBBD CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 1776947104 VLFCECPYJGWAIN-UHFFFAOYSA-N 395.415 -0.099 5 20 GBBD CC(C)N(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012005 KOJLLIYGRYGJKZ-JJLQDPRZSA-N 394.432 -0.139 5 20 GBBD CCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)COC1 1800386889 IZVNOFZGDCXRDY-PTEHBNRSSA-N 393.400 -0.052 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)Cn2ccccc2=O)C1 1843036169 VFFOEMYHVPAMBV-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD O=C(COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC(=O)NC1CC1 23225310 NVCRIPBTXXAHBT-UHFFFAOYSA-N 392.324 -0.148 5 20 GBBD COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 276257665 SYSZCLPKGLSQSC-SECBINFHSA-N 389.386 -0.108 5 20 GBBD Cc1c(C(=O)N2CCO[C@H](C)[C@H]2C(N)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 285465711 RBPNRFJFFBWQBU-PELKAZGASA-N 386.386 -0.735 5 20 GBBD COC(=O)c1cc(C)nc(N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] 286189026 QSLHYRXXHHWOQH-UHFFFAOYSA-N 390.360 -0.580 5 20 GBBD Cn1cnn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1=O 331886210 WGWYQVGNQRZIDQ-UHFFFAOYSA-N 380.386 -0.464 5 20 GBBD O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422275140 ZYVHMSCNYIVXIU-ZDUSSCGKSA-N 388.428 -0.009 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 472934137 ODUOLMHKEGYPNL-LLVKDONJSA-N 399.429 -0.219 5 20 GBBD CNS(=O)(=O)c1cccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 499669444 NJHKJBHBFYXEQM-UHFFFAOYSA-N 380.382 -0.019 5 20 GBBD Cn1ccnc1COCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 596919815 OANNDTJLBDVOGP-UHFFFAOYSA-N 397.413 -0.060 5 20 GBBD C[C@@H](C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])S(C)(=O)=O 603659742 XKAAQBPCTCRKLT-VIFPVBQESA-N 393.443 -0.041 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCN1C(=O)CCC1=O 609265260 GSOCOYSIZMTKJV-UHFFFAOYSA-N 390.352 -0.025 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 611509814 SFUGURYMEAGTGG-UHFFFAOYSA-N 386.386 -0.112 5 20 GBBD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCC[C@@H](C(N)=O)C1 748910944 KCSGVKHNTFBGIJ-GHMZBOCLSA-N 380.357 -0.588 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 794629119 RPCPYEWKADGOEL-SNVBAGLBSA-N 383.386 -0.008 5 20 GBBD COC(=O)CNC(=O)CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809806435 BZPCSYSPSLODMI-UHFFFAOYSA-N 383.741 -0.045 5 20 GBBD C[C@@H](O)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1328360641 WRMDFIFNBODWNZ-GFCCVEGCSA-N 378.385 -0.282 5 20 GBBD O=C1NC(=O)[C@H](CC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)N1 1841961077 MGGWUQDELNOKNO-JTQLQIEISA-N 390.356 -0.662 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc[n+]([O-])c1 1848162466 BHYZNVDVPOCRMH-GJZGRUSLSA-N 386.368 -0.060 5 20 GBBD CCS(=O)(=O)NCCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 263833535 SYYDADAKDNZOGJ-UHFFFAOYSA-N 398.397 -0.364 5 20 GBBD CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 270151438 VVQNANMCFNUDJT-WFASDCNBSA-N 377.361 -0.257 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 273260997 CDKLTXGIPKDLKD-AAEUAGOBSA-N 385.398 -0.472 5 20 GBBD NC(=O)C1(CNS(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CCOCC1 273699165 NIGSUNZHODKXNQ-UHFFFAOYSA-N 387.370 -0.147 5 20 GBBD COC(=O)COCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 288113469 SLYPYDJNIGGNFR-UHFFFAOYSA-N 375.359 -0.821 5 20 GBBD NC[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 423649787 PTBDXALSVQTHRK-LLVKDONJSA-N 395.441 -0.110 5 20 GBBD O=C(CCCN1C(=O)CNC1=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541751576 UFGPKNVFHJSVHX-UHFFFAOYSA-N 398.397 -0.183 5 20 GBBD Cn1ncnc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 596430734 OJYQRDKMLKKCHZ-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598911079 ZUPUTVVNOLCQEY-NEPJUHHUSA-N 386.386 -0.356 5 20 GBBD C[C@@H](C(=O)N[C@]1(C(=O)O)CCOC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 825993988 BQXAKIAYZWSXNR-ZKANADHPSA-N 377.309 -0.061 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@]2(O)CCSC2)c1-c1nn[nH]n1 826500173 NOWMYXKSRACURI-GFCCVEGCSA-N 386.415 -0.079 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 839331929 LZAGTAHVPBARJP-GFCCVEGCSA-N 390.400 -0.673 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 1118221212 PSWQMFKAFFFZBU-OLZOCXBDSA-N 379.369 -0.098 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2)c1nc[nH]c1[N+](=O)[O-] 1796402424 GUXGNGZRWLYAID-JSBBFPJPSA-N 379.373 -0.708 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845767116 FYPPMQPVNJYEFL-UHFFFAOYSA-N 387.356 -0.608 5 20 GBBD CCC(=O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825221 FMLAXBSKXFAWED-UHFFFAOYSA-N 376.369 -0.061 5 20 GBBD NC(=O)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 63615445 RDERIQSFZZUQIO-LLVKDONJSA-N 384.414 -0.013 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 265319771 HVCZLFZXVCZDDU-ZYHUDNBSSA-N 384.414 -0.137 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NN2CCCNC2=O)c([N+](=O)[O-])c1 273045196 GZBMEWAYKHINJE-UHFFFAOYSA-N 386.390 -0.509 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NCCC(N)=O)cc1[N+](=O)[O-] 290035721 WDOKOKBFCBQTTO-UHFFFAOYSA-N 387.418 -0.315 5 20 GBBD CN(CC(=O)O)[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1O 435712196 YNXTYKURABECRY-HUUCEWRRSA-N 389.368 -0.018 5 20 GBBD CO[C@@H]1COC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 458404677 JNDQBYXJBPOACM-CMPLNLGQSA-N 388.402 -0.414 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 476167127 QRVPGNHZEMBYLX-UHFFFAOYSA-N 380.386 -0.414 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccn(CCO)n1 574804693 QIHGGDJCSVPEME-UHFFFAOYSA-N 397.413 0.548 5 20 GBBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 593728726 BDKBNJPJHZLNCS-GFCCVEGCSA-N 382.398 -0.429 5 20 GBBD CN1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC1=O 598293772 JIKCFBBGDWOZTE-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD COC[C@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 774748799 KOAKTALQYIAENQ-LBPRGKRZSA-N 390.370 -0.054 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CCOCC2)c1-c1nn[nH]n1 826499899 DEFRTIFBQBRHTD-UHFFFAOYSA-N 398.401 -0.158 5 20 GBBD CO[C@]1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOC1 1325937087 VNNLBZWWWFWJTK-KRWDZBQOSA-N 393.400 -0.440 5 20 GBBD Cn1c(-c2nc[nH]c2[N+](=O)[O-])nnc1N1CCN(C(=O)N2CCOCC2)CC1 1343532405 HYQPSCQWEDQTPT-UHFFFAOYSA-N 391.392 -0.312 5 20 GBBD Cn1nncc1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1592610783 GZGOILIKZIFHMT-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)O1 1793647927 HIIIXXCLQQMZJL-NOHGZBONSA-N 392.372 -0.462 5 20 GBBD CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011954 CGDMWAGJKGMGCK-GNXNZQSNSA-N 381.389 -0.052 5 20 GBBD O=C(Cn1cnnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798685455 ZZAPNZCQHFXUOH-ILWJIGKKSA-N 375.349 -0.744 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 65233353 WCAYVROWXJFECH-NOZJJQNGSA-N 380.357 -0.423 5 20 GBBD CN(CC(C)(CO)CO)c1ccc([N+](=O)[O-])c(N(C)CC(C)(CO)CO)n1 276643793 XXMGBBSGKWNOPV-UHFFFAOYSA-N 386.449 -0.156 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(=O)N1CCOCC1 281432718 LIPSHYCBZFWLSV-UHFFFAOYSA-N 380.357 -0.093 5 20 GBBD CC[C@H](O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 293704723 NRNODLYAZMSKQJ-GVXVVHGQSA-N 387.414 -0.394 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CNCCO1 417684808 XOAMNMBIGVJPKS-LLVKDONJSA-N 387.418 -0.839 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424435801 GLIURWDQMWYSTC-NSHDSACASA-N 385.354 -0.448 5 20 GBBD Cn1nc2c(cc1=O)CN(C(=O)CN1C(=O)COc3ccc([N+](=O)[O-])cc31)CC2 465386109 DGWCMNZXJXVSGW-UHFFFAOYSA-N 399.363 -0.001 5 20 GBBD Cn1nncc1S(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 480894672 GIZKBTMXSCBNEJ-UHFFFAOYSA-N 375.388 -0.525 5 20 GBBD CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)C1 532676042 BPXZVLOCNHLFGQ-NSHDSACASA-N 375.407 -0.099 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 567124720 PYECFLUAOFGIGI-MNOVXSKESA-N 377.357 -0.688 5 20 GBBD CN(CC(=O)NCCNc1ccn(C)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 576282786 STDZILNYYNGHOB-UHFFFAOYSA-N 396.429 0.177 5 20 GBBD Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 581440982 YDGGLJFNEXVHNW-UBHSHLNASA-N 389.412 -0.149 5 20 GBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@]1(O)CCS(=O)(=O)C1 598902949 LUOIPQBUYHFBBZ-AWEZNQCLSA-N 386.386 -0.618 5 20 GBBD O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](O)C1 600216838 FZBJMJZEBZHRRU-IHRRRGAJSA-N 385.398 -0.688 5 20 GBBD CN1C(=O)CN(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 776246032 NXSGEPLFSQDOIK-UHFFFAOYSA-N 385.358 -0.812 5 20 GBBD Cn1cc([C@@H](CO)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 826359014 RPFDKKARYIHHBY-SECBINFHSA-N 394.373 -0.480 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(c2sccc2C(=O)O)C1=O 833122905 WFQOPUMOIIRWLF-QMMMGPOBSA-N 380.342 -0.132 5 20 GBBD NC[C@H]1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)=NO1 852802221 DWDZFFCAHDBCLI-LLVKDONJSA-N 397.413 -0.469 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 916753710 KQVHQRVFAXLDHT-SNVBAGLBSA-N 377.400 -0.176 5 20 GBBD CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 917445116 RJXONOOTKFUYCT-UHFFFAOYSA-N 388.383 -0.300 5 20 GBBD CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@]12CCCO2 1323669205 RMOBSTBDQYDHIW-IOASZLSFSA-N 381.389 -0.250 5 20 GBBD O=C1COC[C@@]2(CNc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])COCCN12 1607047634 ALTZEBXERWHMNQ-OAHLLOKOSA-N 375.345 -0.185 5 20 GBBD CN[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-])C(=O)O 1796849918 JPCCRJFWZHSNEF-VLEAKVRGSA-N 394.388 -0.368 5 20 GBBD O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)CN1 1800524719 WVGAXAITPSKHGR-YYHMBLRTSA-N 391.384 -0.738 5 20 GBBD CC(C)[C@@H](O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841423734 UHUWFJWBZAHNOJ-OAHLLOKOSA-N 392.412 -0.023 5 20 GBBD O=C(c1cc[n+]([O-])cc1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999728 ADPCGQPBNHLXRB-UHFFFAOYSA-N 386.368 -0.058 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844293307 BSTJSZRFYYRKON-HNNXBMFYSA-N 394.384 -0.345 5 20 GBBD CCc1[nH]nc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 264641026 BWURXKVGEIJZDI-UHFFFAOYSA-N 378.389 -0.213 5 20 GBBD Cc1nc(S(=O)(=O)NCCc2nc(-c3c([N+](=O)[O-])ncn3C)no2)cn1C 350900419 LOJYSVHQPLMIMY-UHFFFAOYSA-N 396.389 -0.059 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1CO 368834580 NGOGTTYCRODKCA-NWDGAFQWSA-N 388.402 -0.990 5 20 GBBD CC(C)NS(=O)(=O)NCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 428415990 BNRRVMVCNVLTMO-UHFFFAOYSA-N 380.448 -0.153 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC(=O)N(C)C(=O)C1 517246053 JDHROHXCCLAIQW-VIFPVBQESA-N 398.397 -0.134 5 20 GBBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CN(C)NC2=O)ccc1[N+](=O)[O-] 539782052 LESBXPZDIOZVMV-JSGCOSHPSA-N 375.385 -0.031 5 20 GBBD COC(=O)CNC(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O 545187418 GBQPVRFPFOLKFZ-UHFFFAOYSA-N 386.324 -0.220 5 20 GBBD Cn1c(O)ncc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)c1=O 552012950 RYNFTXGDGNGGJW-UHFFFAOYSA-N 385.340 0.179 5 20 GBBD COc1ccc([N+](=O)[O-])c(CC(=O)NCCNS(=O)(=O)N(C)C)c1F 567056978 DLYGXGFAOFFXEF-UHFFFAOYSA-N 378.382 -0.203 5 20 GBBD CNc1nccc(C(=O)N2CCN(Cc3nc(COC)no3)CC2)c1[N+](=O)[O-] 570526515 KKOZSMGOKHDCAL-UHFFFAOYSA-N 391.388 0.519 5 20 GBBD CN1CC[C@@H](N2CCC(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)C1=O 572156052 WWFQPMDUYFWLRY-CQSZACIVSA-N 377.401 -0.432 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 592321867 CTZABMNULJLQBF-ONGXEEELSA-N 381.341 -0.076 5 20 GBBD CN(CC(=O)OCC(=O)N1CCCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738672649 BDTAERDPLOIZFF-UHFFFAOYSA-N 399.381 -0.093 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC(C(=O)NCCO)CC2)ccc1[N+](=O)[O-] 782744908 MZIRRNRMAWGUHC-UHFFFAOYSA-N 392.412 -0.020 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)C1(n2cnnn2)CCOCC1 850781752 AAQWRCRVXLCBGP-UHFFFAOYSA-N 396.385 -0.099 5 20 GBBD CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H](CO)Cc1ccccc1 1118705464 SWIYTKPIGPGVCY-CQSZACIVSA-N 375.385 -0.031 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 1321768361 YAXFIKFCRZREGZ-MFKMUULPSA-N 384.414 -0.078 5 20 GBBD CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1588824252 BVWQEGIYUKIJJC-SECBINFHSA-N 381.374 -0.326 5 20 GBBD CO[C@@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCOC1 1591342184 JICUBOCHAHAKRB-CYBMUJFWSA-N 384.374 -0.141 5 20 GBBD NC(=O)CC(=O)N1C[C@@H]2CN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C[C@@H]2C1 1592723217 WTOSXPBMFIXOGJ-PHIMTYICSA-N 386.372 -0.455 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1N1CCN2CCOC[C@]2(CO)C1 1593468780 QKKORNQPSLWMCP-OAHLLOKOSA-N 379.352 -0.203 5 20 GBBD CN(C1CS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1604708560 NIIKHTHQVKVBDZ-UHFFFAOYSA-N 388.387 -0.808 5 20 GBBD C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1781239463 GNAVFJCPLJWXRM-MEDUHNTESA-N 380.357 -0.234 5 20 GBBD CC(C)N(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404123 FOOUSKCNZOJEOW-DABQJJPHSA-N 394.432 -0.139 5 20 GBBD NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC2 1817069067 DTDGZGATLUWHKV-YUMQZZPRSA-N 393.429 -0.109 5 20 GBBD COC(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)c([N+](=O)[O-])c1 1847446638 BIYJBLAPTHKTQN-RYUDHWBXSA-N 393.352 -0.493 5 20 GBBD O=C(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 32438269 NVTBBYVOJQWYIK-SNVBAGLBSA-N 391.427 -0.434 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 272352928 DHGAICPPRUVSIK-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD COc1ccc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] 275731976 PBJXRHKHBFATLI-UHFFFAOYSA-N 380.357 -0.141 5 20 GBBD Cn1cnn(CCC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 293593430 VIYDUBVENDZIGA-UHFFFAOYSA-N 383.386 -0.530 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 299430503 XNOQHYHLZNLDBC-UHFFFAOYSA-N 377.401 -0.206 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CNCCO1 417684809 XOAMNMBIGVJPKS-NSHDSACASA-N 387.418 -0.839 5 20 GBBD Cc1cc(=O)c(C(=O)N[C@@H]2CCC(=O)NC2=O)nn1-c1ccccc1[N+](=O)[O-] 436018847 LXIRMWCPVLCQPT-SNVBAGLBSA-N 385.336 -0.016 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CN2CCC1CC2 570815292 VRAJGBIMAYUWPA-SFHVURJKSA-N 391.428 -0.033 5 20 GBBD Cc1[nH]c(=NC[C@H]2CCCNC2=O)[nH]c(=NC[C@@H]2CCCNC2=O)c1[N+](=O)[O-] 591183100 KJNRMNYMFJIUFO-NWDGAFQWSA-N 391.432 -0.587 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)n1 599318141 VCTPZZOACVTTFW-VIFPVBQESA-N 381.436 -0.579 5 20 GBBD COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 599461352 DBWIZFHFMUGMPO-VIFPVBQESA-N 376.343 -0.416 5 20 GBBD O=C1CN=C(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)N1 609577514 NXLUGBUNMUMSLG-NSHDSACASA-N 381.370 -0.650 5 20 GBBD CN(CC(=O)NCCNC(=O)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609966362 XFPAHYCQDLVIEO-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@](F)(CO)C1 619818603 NFODNAYPCGCOSE-CQSZACIVSA-N 390.393 -0.011 5 20 GBBD COC(=O)C1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)CC1 833702063 NOXNALHUCWVOEG-UHFFFAOYSA-N 388.354 -0.018 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 845196968 HGRYHWFUFSWOGO-UHFFFAOYSA-N 392.365 -0.046 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1323044570 LZHDZFNIJOZNCF-UHFFFAOYSA-N 377.401 -0.509 5 20 GBBD CN1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1591193774 YIBGUORSPNCZFY-UHFFFAOYSA-N 396.433 -0.699 5 20 GBBD COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1784259335 FJZMHYUNIWVCEI-OAHLLOKOSA-N 396.360 -0.883 5 20 GBBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)ncc1[N+](=O)[O-] 1847105372 RGKXWMXJFLSTEJ-UHFFFAOYSA-N 376.373 -0.216 5 20 GBBD CS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 10044493 QMIVZBUQFFLGEB-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C(N)=O)O1 268470231 PVPFKLFOKCUCHR-CZUORRHYSA-N 391.428 -0.182 5 20 GBBD O=C1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C(=O)N1 276227479 PJSSCUZEEKGGLS-QMMMGPOBSA-N 392.324 -0.384 5 20 GBBD CN(C[C@@H](O)CNc1ncc([N+](=O)[O-])c(N)n1)c1ncc([N+](=O)[O-])c(N)n1 292667946 HOSZIEYQZHHWHC-LURJTMIESA-N 380.325 -0.843 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(S(N)(=O)=O)CC1 298131053 ZBILKCLSOJHDNK-JTQLQIEISA-N 387.418 -0.249 5 20 GBBD CN(CC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 366853817 SUQNCAPOQVVXQA-ZIAGYGMSSA-N 396.425 -0.048 5 20 GBBD O=C(O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 414611217 LDWZRSLOXRKWGQ-JTQLQIEISA-N 386.386 -0.011 5 20 GBBD CN1CCC[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 480930353 RYSREWSRQOAFQY-LBPRGKRZSA-N 399.429 -0.219 5 20 GBBD Cn1cc([C@H](CO)NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 481830208 ODXYRJWBJUHXTE-AWEZNQCLSA-N 376.373 -0.023 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c(C)c([N+](=O)[O-])c1 487855896 VRHPUKBFHSAKNP-QGZVFWFLSA-N 394.384 -0.189 5 20 GBBD COCC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 500302361 CEMPRNSTXZQKOX-UHFFFAOYSA-N 385.398 -0.071 5 20 GBBD C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN(C)C 517245926 FZLSNPAQGYFVHU-NWDGAFQWSA-N 395.416 -0.025 5 20 GBBD Cc1c(C(=O)NCCCn2cccnc2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 564309797 WNBNVOISQRGRHU-UHFFFAOYSA-N 395.397 -0.073 5 20 GBBD O=C1CN(CCNS(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCN1 594772636 NJKXUXKWUWVICK-UHFFFAOYSA-N 379.398 -0.147 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 781840140 DSJQQVFHZUUZLB-UHFFFAOYSA-N 395.390 -0.036 5 20 GBBD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 783325373 XVMJOLPBRLKOCC-LLVKDONJSA-N 384.414 -0.058 5 20 GBBD CNc1ccc(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] 813950609 YGYOBZBPJAUSNB-UHFFFAOYSA-N 385.402 -0.225 5 20 GBBD Cn1ccnc(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)c1=O 822693912 OBBQEDGYWZMQBY-UHFFFAOYSA-N 384.360 -0.410 5 20 GBBD Cn1cc(C[C@@H]2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)cn1 1347104683 KNAGXKXDUKCGKW-LBPRGKRZSA-N 375.389 -0.268 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591253177 KDTBIWGFNAZGBT-GFCCVEGCSA-N 396.385 -0.453 5 20 GBBD O=C(O)Cc1ccc(N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])c1 1602120517 AFSMHRVDHKBFHW-UHFFFAOYSA-N 375.345 -0.443 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 264377377 DQQLIXIHOAWMOK-GXTWGEPZSA-N 388.446 -0.160 5 20 GBBD Nc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] 267290234 ZHQFXJDGTXDIDN-YPMHNXCESA-N 384.414 -0.595 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 273129041 RABWITKXHUTGFT-NSHDSACASA-N 382.398 -0.241 5 20 GBBD COCCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 283267532 ASLGKFFDRPAJRW-AAEUAGOBSA-N 387.414 -0.129 5 20 GBBD CCOC(=O)C(NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 290778890 BXEAMCVFXJFVOE-UHFFFAOYSA-N 381.341 -0.064 5 20 GBBD O=C1NC2(CCOCC2)C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 348389649 ONYMTHODAOUSQA-UHFFFAOYSA-N 398.397 -0.026 5 20 GBBD CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCn1cnc([N+](=O)[O-])n1 440601566 VDCNZZVLXKPVBY-UHFFFAOYSA-N 389.415 -0.090 5 20 GBBD NC(=O)CN1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 458052909 RLBOODHNQXZORE-UHFFFAOYSA-N 378.341 -0.935 5 20 GBBD CCCc1[nH]nc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 521037261 IZQRVZWGBCOKSW-VIFPVBQESA-N 387.418 -0.354 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2nnnn2c1 531809834 XZTACPZHBJXGQK-UHFFFAOYSA-N 391.369 -0.259 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@]1(O)CCOC1 535122021 OWZIMDBEBRNRRH-CQSZACIVSA-N 388.402 -0.676 5 20 GBBD O=C(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)NCCN1CCOCC1 554017664 OEZIAAOEDTXDMZ-UHFFFAOYSA-N 380.357 -0.498 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 572900579 KAOPCDUJUSRCNB-NWDGAFQWSA-N 375.385 -0.079 5 20 GBBD CCn1ncnc1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 575898414 WTJFEXRWMDMPBL-UHFFFAOYSA-N 388.388 -0.434 5 20 GBBD Cc1[nH]c(=NCC[C@@]2(O)CCOC2)[nH]c(=NCC[C@@]2(O)CCOC2)c1[N+](=O)[O-] 593494734 ICLGXOMGRLDOCX-IAGOWNOFSA-N 397.432 -0.556 5 20 GBBD CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593544588 VDBGBYKWUYUIOO-UHFFFAOYSA-N 385.402 -0.651 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 600230536 XQSOAMYFLAEDKE-ZDUSSCGKSA-N 379.373 -0.519 5 20 GBBD COc1ccc(C(=O)NCC(=O)OCCNS(C)(=O)=O)cc1[N+](=O)[O-] 730597352 AZWUMENSYQBDIK-UHFFFAOYSA-N 375.359 -0.574 5 20 GBBD COC(=O)N1CC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 771078547 SEVJQEFKJFQUKG-UHFFFAOYSA-N 386.386 -0.170 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 801820934 SFNJGULJQIEEJA-QMMMGPOBSA-N 375.382 -0.039 5 20 GBBD COC(=O)c1cn(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 817369742 GAYQAJHEFUMBIL-UHFFFAOYSA-N 398.401 -0.159 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](CO)O1 839212447 WZGRYBDBFFFQOI-XJKSGUPXSA-N 392.412 -0.148 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1326410469 STMACVQBPQUHOY-TZMCWYRMSA-N 379.369 -0.364 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1779394465 DRUXTIQEVDOEPB-BDJLRTHQSA-N 379.373 -0.202 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1780420334 SAOSRJZSMNHIMR-BNLOLNQZSA-N 393.400 -0.911 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781046384 IVXDJRLLCAZDDS-BNLOLNQZSA-N 393.400 -0.911 5 20 GBBD COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792357214 LYIOQRHBWLWDBF-WDAIWFPHSA-N 396.356 -0.253 5 20 GBBD CCC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838828277 LSTQFAHJWUOONA-KRWDZBQOSA-N 394.384 -0.028 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 27217014 CBDCFSGYCNBVFF-AWEZNQCLSA-N 376.369 -0.153 5 20 GBBD CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 269121081 SHOACONPGGKITL-UHFFFAOYSA-N 397.413 -0.166 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCOCCS(C)(=O)=O)ccc1[N+](=O)[O-] 273049671 JIKNRXAGOROBHC-UHFFFAOYSA-N 387.414 -0.190 5 20 GBBD O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 277974695 SIFAWZDLLHWULC-STQMWFEESA-N 398.397 -0.339 5 20 GBBD COCCN1CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1=O 282456530 MIBWYANJCVRUCO-UHFFFAOYSA-N 380.357 -0.392 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424390703 KVTJPUCQOAZAPF-SECBINFHSA-N 383.342 -0.142 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 599489296 VEJDVMXWULFIIX-UHFFFAOYSA-N 378.432 -0.151 5 20 GBBD C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 842571966 ZYHIZDWDVYJLQF-ZETCQYMHSA-N 386.342 -0.331 5 20 GBBD COc1cc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 859371585 SZAHRWCGLULVJD-UHFFFAOYSA-N 394.431 -0.450 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781081711 NOLCAALEHNOLPO-ZENOOKHLSA-N 381.364 -0.021 5 20 GBBD CC[C@@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008945 RGTMTHPJPLKVCJ-IMTAKKMFSA-N 395.416 -0.072 5 20 GBBD O=[N+]([O-])c1ccc2nc(CN3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)[nH]c2c1 444676846 ONHIWFWUKWONEE-CABCVRRESA-N 395.441 -0.253 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 451683711 FMCJOPRLBRDSPT-CYBMUJFWSA-N 378.428 -0.015 5 20 GBBD CCS(=O)(=O)C1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 456316347 XIUKMRYBYCVLBD-UHFFFAOYSA-N 381.366 -0.164 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC(=O)N1C 460016223 MICSRJGABZWZRQ-ZDUSSCGKSA-N 389.412 -0.068 5 20 GBBD CN(CC(=O)N[C@H]1CC[S@](=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 474940156 CPEZHMTXPLYIGV-VCGICTTQSA-N 375.428 -0.148 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NCc2nnn(C)n2)c([N+](=O)[O-])c1 486500490 RDNVSQGBSAZUDY-UHFFFAOYSA-N 384.422 -0.430 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N[C@H]1CCS(=O)(=O)C1 524096205 JEYGRAVKWAETOB-VIFPVBQESA-N 399.381 -0.002 5 20 GBBD COC[C@@]1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCN1 566973957 MNRPFWIONYXWBL-HNNXBMFYSA-N 386.430 -0.242 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC2=C3OCCN=C3NC=N2)c1 591140112 XGCSVNVRNJROJF-UHFFFAOYSA-N 380.386 -0.308 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H]2Cc3cncn3C2)c([N+](=O)[O-])c1 598944151 XUGKTIXSALRGCS-SNVBAGLBSA-N 394.413 -0.018 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 600230283 RVWDYMKGFYAQME-NWDGAFQWSA-N 397.436 -0.016 5 20 GBBD CCOCCNC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 753440263 KZAXNELXDPNNSE-UHFFFAOYSA-N 379.325 -0.113 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 765185675 QXHAWUYEKCKCOM-UHFFFAOYSA-N 395.191 -0.681 5 20 GBBD CCN(CC)S(=O)(=O)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 784890829 YJFFDKQLMKRWGH-UHFFFAOYSA-N 380.404 -0.534 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 816716157 ZJRDYHOEVFOPIV-UHFFFAOYSA-N 378.388 -0.421 5 20 GBBD Cc1c(C(=O)N[C@@H](CO)CN2CCCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 819837810 SGMPIDIAXXLBII-LLVKDONJSA-N 386.430 -0.263 5 20 GBBD CN(CC(C)(CO)CO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825897416 FUEQIQLGSZAKMM-UHFFFAOYSA-N 386.390 -0.614 5 20 GBBD COCCOC1CN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 1329129932 XKIHTZJVUJZCCR-UHFFFAOYSA-N 377.357 -0.039 5 20 GBBD N=C(N)SCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401514 LPCIIFRZSHZEPR-DIYOJNKTSA-N 397.417 -0.852 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848347022 JMKFRQYJQXMTJJ-UWVGGRQHSA-N 388.340 -0.154 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 28848794 IFOQKZIPSRBYLA-MRVPVSSYSA-N 382.329 -0.280 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)C[C@@H]2CCOC2)cc1 264557403 MXVWHFWQUGVGHD-LLVKDONJSA-N 393.443 -0.171 5 20 GBBD COCCN(C(=O)Cn1c(C)ccc([N+](=O)[O-])c1=O)[C@@H]1CCS(=O)(=O)C1 276222380 MCUMINDYCBXLDH-GFCCVEGCSA-N 387.414 -0.273 5 20 GBBD NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 276291789 JKBPHHGYZHVTSH-LLVKDONJSA-N 394.203 -0.032 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 285684921 FILIHDFXUWZJRX-LLVKDONJSA-N 384.414 -0.171 5 20 GBBD C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 292099083 MBYKDAKLLYHIJL-WZRBSPASSA-N 387.414 -0.442 5 20 GBBD COC(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 298126386 WIFBOHDFKVOCGP-SKDRFNHKSA-N 381.341 -0.066 5 20 GBBD O=C(C(=O)N1CCn2cnnc2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 298614394 RTAHJGOUHNOOCR-UHFFFAOYSA-N 385.384 -0.123 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 299221563 YCYZJRTWWICUAM-UHFFFAOYSA-N 375.345 -0.426 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 369429204 VGRSUXJQGWKRJA-LBPRGKRZSA-N 387.418 -0.556 5 20 GBBD O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 471326017 GASBQAZPVXKBMC-MNOVXSKESA-N 375.428 -0.428 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 497563319 KYRPSTAUCGDYPZ-CQSZACIVSA-N 394.384 -0.426 5 20 GBBD CNS(=O)(=O)c1ccc(N2CC(n3cc(C(N)=O)nn3)C2)c([N+](=O)[O-])c1 500869990 NRGKQQUQOMVWKK-UHFFFAOYSA-N 381.374 -0.745 5 20 GBBD NC(=O)c1ccc(SCC(=O)NCCCN2C(=O)CNC2=O)c([N+](=O)[O-])c1 520829748 OHDAXKCIRDWXSE-UHFFFAOYSA-N 395.397 -0.156 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 521372217 BIRRSKAYQGISEP-CYBMUJFWSA-N 394.384 -0.165 5 20 GBBD O=C(O)c1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 566858491 GIJRIJUOABBQBD-UHFFFAOYSA-N 393.399 -0.393 5 20 GBBD CS(=O)(=O)N1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 589103436 RARFTIXTZKHCQX-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cn(C)c(=O)n(C)c1=O 590552741 VOZUPQIJUITMKS-VIFPVBQESA-N 375.341 -0.251 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NC[C@]2(OCCO)CCOC2)cc([N+](=O)[O-])c1 597995653 MUQQWLHGWHCMHS-OAHLLOKOSA-N 388.398 -0.104 5 20 GBBD COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619481429 QLUDAUJTPRVTPW-UHFFFAOYSA-N 376.343 -0.060 5 20 GBBD CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 763213362 GOBLDQVJXBQAEC-QMMMGPOBSA-N 382.192 -0.258 5 20 GBBD NC(=O)CS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 766928620 IRTQZEISVSMAFD-SSDOTTSWSA-N 390.399 -0.808 5 20 GBBD CN(CCS(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 821604679 AODWBQRKTXBQDZ-UHFFFAOYSA-N 390.403 -0.560 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847894865 IXZMPFLQHACTMR-UHFFFAOYSA-N 382.358 -0.811 5 20 GBBD O=C(CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1)N1CCCC1 1340909434 FJKIEBWEUUPZFH-UHFFFAOYSA-N 377.401 -0.477 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419743 SUNGCMUTTLWKLY-APPDUMDISA-N 393.400 -0.109 5 20 GBBD C[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835101173 PVWDTQOBZXHFPF-NSHDSACASA-N 394.432 -0.116 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 57404969 AOPMCHYSFQABDH-JTQLQIEISA-N 391.427 -0.576 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)N1CCOCC1 273213382 NYIGYOLYCPOVCU-UHFFFAOYSA-N 392.368 -0.556 5 20 GBBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 275869061 DRJZGGGTRMIEJD-SECBINFHSA-N 395.759 -0.644 5 20 GBBD COCCNC(=O)CN1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 280950834 JQGIIVZHFUWKDM-UHFFFAOYSA-N 381.389 -0.339 5 20 GBBD CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 281385945 WKZJHCRHKCUJNM-DYEKYZERSA-N 399.425 -0.034 5 20 GBBD C[C@H](CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)S(N)(=O)=O 437036043 JDJBTXVBGMORAQ-SNVBAGLBSA-N 384.414 -0.121 5 20 GBBD COC[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 484306953 DJHMONJVWVEMCG-LBPRGKRZSA-N 389.386 -0.433 5 20 GBBD COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 825801503 OQHZEQQVEBSROA-INIZCTEOSA-N 381.385 -0.038 5 20 GBBD CC(C)(C)OC(=O)C(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 844340208 MIAKXLUVEVQJJR-CYBMUJFWSA-N 383.405 -0.362 5 20 GBBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCN1CCS(=O)(=O)CC1 917139119 QMLXHQHGJMOALU-UHFFFAOYSA-N 381.414 -0.209 5 20 GBBD C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1589888965 FTJUKVZEJAZSHI-RKDXNWHRSA-N 384.374 -0.258 5 20 GBBD C[C@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1605442258 APZNHDNKKZPQJJ-JTQLQIEISA-N 397.417 -0.538 5 20 GBBD O=C1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)N1 1792354949 GUGMOQFTQKBIIZ-DDIVZENXSA-N 392.368 -0.330 5 20 GBBD COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999878 BYOTWBASZYMYSA-DRXBFXEBSA-N 381.389 -0.583 5 20 GBBD O=C1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]c2[N+](=O)[O-])CN1 1796853449 YVARCZUANUCKFX-MMWGEVLESA-N 376.373 -0.294 5 20 GBBD O=C(C(O)O)N1CCC([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827644293 PSCZDAHWHURCCD-LLVKDONJSA-N 381.389 -0.138 5 20 GBBD CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841133490 KDXDTJXLOXIDTJ-UHFFFAOYSA-N 393.404 -0.734 5 20 GBBD CCNC(=O)NC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11388448 VJSKVXUUALMGLY-UHFFFAOYSA-N 378.297 -0.420 5 20 GBBD COCCN(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265622093 HQSQQRWDWHXCCX-UHFFFAOYSA-N 388.446 -0.090 5 20 GBBD CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[C@@H]1COC[C@H]1O 286458872 UTYAKATXRGTYCJ-HUUCEWRRSA-N 387.414 -0.188 5 20 GBBD O=[N+]([O-])c1cc2c(N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)ncnc2s1 286680319 ZKEMUTXMFHGUOI-QWRGUYRKSA-N 399.454 -0.121 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 292387773 HIJLWRBJONHGGM-UHFFFAOYSA-N 378.432 -0.198 5 20 GBBD C[C@@H](CN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)O 422929522 QJNLPTSCSJZWFZ-NSHDSACASA-N 379.373 -0.183 5 20 GBBD CCOC(=O)[C@H]1NCC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 422937495 CNNJGXDNSMQQDW-KGLIPLIRSA-N 386.430 -0.244 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3N)CC2)cc1[N+](=O)[O-] 424068798 TUXVQZVWFJZJKN-NEPJUHHUSA-N 384.414 -0.217 5 20 GBBD CN(CC(=O)O)[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1O 435696780 LJOSAFZZAJFKEU-ZIAGYGMSSA-N 390.356 -0.623 5 20 GBBD Nc1nc(C(=O)NCCNc2ccccc2[N+](=O)[O-])nc(N2CCOCC2)n1 590414389 NUWBTFCGRSEPEM-UHFFFAOYSA-N 388.388 0.041 5 20 GBBD Cc1c(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 590548398 BUSWWXHUFPDRRJ-NWDGAFQWSA-N 398.441 -0.168 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 593792209 LMHGEVNPJNBZQJ-CMPLNLGQSA-N 384.414 -0.137 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC[C@@]2(OCCO)CCOC2)ccc1[N+](=O)[O-] 597994753 KTMMLSHYHGOLMU-KRWDZBQOSA-N 381.385 -0.083 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N1 599175655 GUHRXWRYQJOTSZ-GWCFXTLKSA-N 384.414 -0.096 5 20 GBBD CCN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 619803591 OLDYZDQCCYWUNE-ZDUSSCGKSA-N 399.429 -0.207 5 20 GBBD CC(C)[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 772062926 YXAQNSDSDYIGRP-BXKDBHETSA-N 388.402 -0.187 5 20 GBBD CNS(=O)(=O)CCCOC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 777076229 RSVZHMMJBXGLEV-UHFFFAOYSA-N 388.402 -0.124 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NN1CCS(=O)(=O)CC1 862737836 PFDAXAZEZIXHFX-UHFFFAOYSA-N 384.370 -0.918 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1322910757 HPBKFEAITPZBEN-ZDUSSCGKSA-N 398.441 -0.349 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 1323359886 CYKHHEFZLJYQGW-AWEZNQCLSA-N 378.385 -0.383 5 20 GBBD CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1325500287 PRVPWDIGHCHZNV-UHFFFAOYSA-N 391.428 -0.120 5 20 GBBD CC(=O)N(C)CC(=O)NCCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1588801006 IGHBLRNGGHWUAH-UHFFFAOYSA-N 376.377 -0.194 5 20 GBBD O=C(Cn1cnnn1)N1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1609538481 NYBUSUTVXPENNB-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1796607748 LCENLHGRBNRLNB-PEGIJTEDSA-N 389.372 -0.134 5 20 GBBD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)ncc1[N+](=O)[O-] 1835548392 STLUJIPDFPHCOR-KRWDZBQOSA-N 393.400 -0.673 5 20 GBBD Cc1cc(C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)ncc1[N+](=O)[O-] 1843517029 OSRYLAWWYKCFFJ-UHFFFAOYSA-N 375.389 -0.402 5 20 GBBD CC(C)(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 265095445 YFWIDUZMOYKUIZ-UHFFFAOYSA-N 393.443 -0.188 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 281510877 RLDRJNFTHUVAHU-CYBMUJFWSA-N 380.357 -0.095 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCN1CCS(=O)(=O)CC1 299427360 WLNGLYVAKDRFMB-UHFFFAOYSA-N 375.378 -0.041 5 20 GBBD COC[C@@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 363616574 FOGXRZUQHBKZGY-WZRBSPASSA-N 387.414 -0.130 5 20 GBBD CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 453005622 YWQBVSHOKWBBCW-NSHDSACASA-N 384.414 -0.048 5 20 GBBD CO[C@]1(CN=c2[nH]c(=NC[C@]3(OC)CCOC3)[nH]c(C)c2[N+](=O)[O-])CCOC1 460948199 IAPIDRVEGOSJAD-DLBZAZTESA-N 397.432 -0.028 5 20 GBBD NS(=O)(=O)c1ccc(CCNC(=O)Cn2cccc([N+](=O)[O-])c2=O)cc1 507902024 MVSYYZHYUOJJAI-UHFFFAOYSA-N 380.382 -0.237 5 20 GBBD COCCNC(=O)Cn1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 525091034 JALYZHABVRSLPT-UHFFFAOYSA-N 378.345 -0.646 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 541842330 BXVXOEWBHGWIBJ-UHFFFAOYSA-N 378.389 -0.811 5 20 GBBD N[C@H]1C[C@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O 575882297 PNPLSQJVCARCAH-UWVGGRQHSA-N 398.397 -0.702 5 20 GBBD COc1ccc(OCCOC(=O)CN2C(=O)C(=O)N(C)C2=O)c([N+](=O)[O-])c1 745024969 BURFCEHKZYPIGP-UHFFFAOYSA-N 381.297 -0.054 5 20 GBBD NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 826392284 SORCGPWMVXUUFE-ZETCQYMHSA-N 382.362 -0.794 5 20 GBBD O=C(C(=O)N1CCC[C@H]1CO)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1117901309 KRDRNEITBAOOFO-ZDUSSCGKSA-N 390.396 -0.138 5 20 GBBD O=[N+]([O-])c1cccc([C@H](O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1319636772 HGQYDDRXHRCEQM-ARFHVFGLSA-N 385.442 -0.596 5 20 GBBD CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@]12CCCO2 1323669211 RMOBSTBDQYDHIW-ZENOOKHLSA-N 381.389 -0.250 5 20 GBBD O=C(c1ccnnc1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382126 AQJPNVZGLLDVMK-MRXNPFEDSA-N 387.356 -0.135 5 20 GBBD O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)CN1 1783155933 FLOARYIZKHEFTN-DIFFPNOSSA-N 392.368 -0.233 5 20 GBBD COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798745216 CSQWNOQDVWJDSS-DRXBFXEBSA-N 396.400 -0.211 5 20 GBBD CN(C)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354939 NITAXWDTOUNGEQ-BTTYYORXSA-N 391.428 -0.044 5 20 GBBD CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832796239 PYOJKZQQSIQSAR-INIZCTEOSA-N 381.389 -0.342 5 20 GBBD COCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848162329 TZNPLJHYTZWGEF-KBPBESRZSA-N 381.389 -0.344 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])NCCC(=O)N[C@H]1CCS(=O)(=O)C1 43057937 BPRICKJMRIEUSP-NSHDSACASA-N 385.398 -0.217 5 20 GBBD CN1CC[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 265726732 PAGZKTFLZJLYLT-NSHDSACASA-N 385.402 -0.609 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)NCc1cc([N+](=O)[O-])ccc1OC 268044433 PNCMUBVSSODELL-UHFFFAOYSA-N 381.432 -0.038 5 20 GBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 275204313 ZEKGLIPGZINTNY-JTQLQIEISA-N 378.384 -0.224 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 276181879 APENOEHTSLMNSL-JSGCOSHPSA-N 385.398 -0.784 5 20 GBBD C[C@H](O)C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 283555331 VJLHBIUOADVZTF-RYUDHWBXSA-N 387.414 -0.129 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCS(N)(=O)=O 288116951 CHBGXAJJDDUNHB-JTQLQIEISA-N 388.402 -0.866 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] 490856771 HQJWFPXQCVSSSZ-NSHDSACASA-N 391.340 -0.904 5 20 GBBD CN(Cc1nncn1C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 497559683 KKNFVLQBQPXDBZ-UHFFFAOYSA-N 397.417 -0.157 5 20 GBBD O=C1NC(=O)[C@H](CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 534589290 KYYHPZWPGPNMNT-LBPRGKRZSA-N 375.341 -0.523 5 20 GBBD O=C1C[C@@H](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)N1 596643309 WTJCOJHUGSGLHC-NSHDSACASA-N 382.398 -0.294 5 20 GBBD CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 597654501 RVATZLNDWQBWMN-VIFPVBQESA-N 381.418 -0.078 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 611743994 HYMQFUCZLRGIKA-UHFFFAOYSA-N 393.447 -0.829 5 20 GBBD O=C(O)CCNC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 739733825 FJGRBYNBZDKIJX-UHFFFAOYSA-N 381.297 -0.546 5 20 GBBD CN(CC(=O)O[C@@H]1CCC(=O)NC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 798624375 VGXPBZSLUXQPIE-LLVKDONJSA-N 385.354 -0.436 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 839331934 LZAGTAHVPBARJP-LBPRGKRZSA-N 390.400 -0.673 5 20 GBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)N2CCOCC2)CC1 1320851766 QLVKGPXEIWFRDF-UHFFFAOYSA-N 399.429 -0.184 5 20 GBBD C[S@](=O)C1(CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 1324136683 PQTHVMCUBTYCMF-SANMLTNESA-N 383.430 -0.018 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1324951471 LNJMKQCUFMIWQU-GFCCVEGCSA-N 390.400 -0.673 5 20 GBBD CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)C1(C(N)=O)CC1 1604760779 FTXGQXOTLDBEHX-UHFFFAOYSA-N 388.388 -0.065 5 20 GBBD O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C[C@@H]32)C1 1792161692 MYVMHFRWIOGEJJ-XDTLVQLUSA-N 391.384 -0.110 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])cnc1O 266423905 GWQXHIMZVNBWDV-NSHDSACASA-N 379.373 -0.642 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CCN2C1=O 271111473 NNYKJEZFDBWLPQ-GFCCVEGCSA-N 382.398 -0.890 5 20 GBBD O=C(Cn1ccc(O)nc1=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294486990 JCFHQIABJGIZIZ-UHFFFAOYSA-N 387.352 -0.158 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC(=O)N1CCN(C)CC1 298969973 DEZRIXOXHZXBLN-CYBMUJFWSA-N 391.428 -0.007 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 409954268 WHOVPLMGCLYSCX-UHFFFAOYSA-N 390.352 -0.144 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@]1(CCO)CCOC1 447064364 WORIAXHLRRHNIL-HNNXBMFYSA-N 387.414 -0.079 5 20 GBBD CN1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 485784950 JSXFECCHNUQHQS-CQSZACIVSA-N 398.441 -0.242 5 20 GBBD COC(=O)c1cc(C(=O)NCC(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1 521914146 UNQUUNCQSVILLT-UHFFFAOYSA-N 394.384 -0.440 5 20 GBBD CCN(CCCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])S(C)(=O)=O 533174164 NVKVYMAFEUHWJH-UHFFFAOYSA-N 383.452 -0.239 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@](C)(O)CN2CCOCC2)c([N+](=O)[O-])n1 533638084 GWNHNYGJCYQAQK-ZDUSSCGKSA-N 377.423 -0.827 5 20 GBBD CCNC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 555539499 HDUSIGUQLAINGF-UHFFFAOYSA-N 385.402 -0.271 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n1 599256990 CTRAUSTUVKSRLQ-RKDXNWHRSA-N 381.436 -0.676 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 604181389 GCBAGCQDMRTTEP-UHFFFAOYSA-N 390.352 -0.266 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 733721087 RBDXNRKKNYGBRR-SNVBAGLBSA-N 378.384 -0.153 5 20 GBBD C[C@@H]1CN(C(=O)COC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCO1 801438988 RVWXUCLVRYNNAR-SECBINFHSA-N 387.370 -0.354 5 20 GBBD Cc1noc(COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1[N+](=O)[O-] 853886105 YRFRSAAWQSLNET-UHFFFAOYSA-N 378.301 -0.618 5 20 GBBD O=Cc1ccc(OCC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c([N+](=O)[O-])c1 874965094 IGKHDTCRDCGKSH-NSHDSACASA-N 386.338 -0.504 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCNCC1 1326168084 VOPZQJCRIBBDOL-LSDHHAIUSA-N 391.432 -0.072 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1326410466 STMACVQBPQUHOY-GXTWGEPZSA-N 379.369 -0.364 5 20 GBBD C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1602989533 VDSWXAWCHONHAS-YUMQZZPRSA-N 384.378 -0.822 5 20 GBBD CC[C@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008943 RGTMTHPJPLKVCJ-BPJKLTAVSA-N 395.416 -0.072 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@H]1C[C@H]1F 1799173598 HQMWCQMBCVEYIB-COPWDGIASA-N 381.364 -0.261 5 20 GBBD NC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc[nH]c2[N+](=O)[O-])n[nH]1 1818075738 MPTDKJZCVLBHRT-WPRPVWTQSA-N 391.392 -0.367 5 20 GBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC(=O)N1CCNC1=O 11387266 PZTBRFQNZOCMBA-UHFFFAOYSA-N 376.281 -0.714 5 20 GBBD C[C@@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 16520172 UQEPGQRRNOODDI-JTQLQIEISA-N 385.402 -0.516 5 20 GBBD CC(=O)N1CCN(C(=O)CCNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 264501400 KJNKHIYSMDAZPZ-UHFFFAOYSA-N 394.432 -0.005 5 20 GBBD CC(C)N1C(=O)C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 268043979 YZWKSIMYYAMMAI-JTQLQIEISA-N 388.336 -0.157 5 20 GBBD O=C(NC[C@]1(O)CCOC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 270133977 OYGFHUNFGFVGHM-MRXNPFEDSA-N 381.341 -0.038 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccnc1)NCCn1cc([N+](=O)[O-])cn1 448218078 SAIZBPIEKLVFFI-UHFFFAOYSA-N 383.390 -0.536 5 20 GBBD Cc1c(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 590548397 BUSWWXHUFPDRRJ-NEPJUHHUSA-N 398.441 -0.168 5 20 GBBD O=C(NCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)Nc1cccc([N+](=O)[O-])c1 598899372 BOMUDLYRLDOMSH-LLVKDONJSA-N 376.329 -0.521 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)c2cn(CC(=O)N(C)C)nn2)ccc1[N+](=O)[O-] 734735477 VWPITXIAJKHCPR-UHFFFAOYSA-N 396.385 -0.298 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](S(N)(=O)=O)C1 755908703 HRKXWKRAXLSVAV-SNVBAGLBSA-N 394.431 -0.356 5 20 GBBD C[C@@H](C(=O)N1CCOC[C@H]1C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 825990584 NRVYMLFOBIQDFI-KWQFWETISA-N 377.309 -0.109 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@]2(CCO)CCOC2)c1-c1nn[nH]n1 826500157 NFXOBMPVQKFZGR-AWEZNQCLSA-N 398.401 -0.158 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1328968873 QVZYMMRDDZUHJM-GFCCVEGCSA-N 376.369 -0.079 5 20 GBBD CC(C)(C(N)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1603049913 JIIOYACHBYVNIC-UHFFFAOYSA-N 388.388 -0.065 5 20 GBBD CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1604876306 LRSFXULIUBSIPO-QMMMGPOBSA-N 381.374 -0.469 5 20 GBBD O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1CCS(=O)(=O)C[C@H]1CCO 1607083612 JQCHMJUSDJSWJP-SNVBAGLBSA-N 382.402 -0.244 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1781546898 BNIZDIJICRLHLW-INIZCTEOSA-N 383.332 -0.512 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2)C(O)O 1792794874 MMKLHZSWGILJHT-YWVIFJGQSA-N 393.396 -0.572 5 20 GBBD NC(=O)c1ncccc1C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411089 YJGDHXQFBWJGGS-UHFFFAOYSA-N 399.367 -0.057 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 65869102 GHJSJCKFGKFWMQ-UHFFFAOYSA-N 375.385 -0.044 5 20 GBBD CCN(CCO)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272966466 IMLNZFXWICEAQP-YPMHNXCESA-N 387.414 -0.441 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC(=O)NC1 421994570 SYTXBDDFIKLCLW-NSHDSACASA-N 384.414 -0.142 5 20 GBBD COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c([N+](=O)[O-])c1 424366202 IRPOTFHMBVLXAW-NSHDSACASA-N 394.383 -0.524 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNS(=O)(=O)CC 468490636 AIBYDZMIFKFFGW-SNVBAGLBSA-N 376.439 -0.117 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 481023103 WTSJIDZXLDQYEP-SECBINFHSA-N 378.432 -0.253 5 20 GBBD Cc1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1-n1cnnn1 532274276 SLEWPAPOGPXPKD-UHFFFAOYSA-N 385.344 -0.170 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 545380765 JQGYSWAUKKVOOW-GFCCVEGCSA-N 392.416 -0.423 5 20 GBBD C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CN1CCOCC1 550161853 WSJFKCAZNNXCTO-NSHDSACASA-N 386.430 -0.060 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@]1(O)CN2CCC1CC2 552025768 KSQSTVVKRWTPJQ-SFHVURJKSA-N 390.396 -0.107 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccon1 591477936 GGQLPOHFAYEWQQ-UHFFFAOYSA-N 383.386 0.432 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2C[C@@H](O)C[C@H](C(=O)OC)C2)c([N+](=O)[O-])c1 592003977 JLHLNWFOEOGRLL-RYUDHWBXSA-N 395.368 -0.142 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)CCF 593325537 FBXQFBQQPDCYIZ-JTQLQIEISA-N 378.382 -0.107 5 20 GBBD CN(CC(=O)OCCCS(N)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 745066525 YFNWJLXVRQQFIH-UHFFFAOYSA-N 395.415 -0.563 5 20 GBBD Cc1c(S(=O)(=O)NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cnn1C 813955387 IYJSCUBVOIOGCK-UHFFFAOYSA-N 381.370 -0.128 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 850606055 OFXVZWBEOMAPRX-ONGXEEELSA-N 389.361 -0.091 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 1261487608 XWYOHQCGKSKTHY-DZGCQCFKSA-N 393.396 -0.022 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1599622640 XGDYKSUBAHIWON-GFCCVEGCSA-N 381.341 -0.078 5 20 GBBD CNC(=O)CN(C)c1cc(N(C)CC(=O)NC)c([N+](=O)[O-])cc1-c1nn[nH]n1 1609288321 JVIRYSYOSXVQGO-UHFFFAOYSA-N 391.392 -0.861 5 20 GBBD CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)COC1 1779378826 RIKLHHCRSJMHKU-MRXNPFEDSA-N 379.373 -0.202 5 20 GBBD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN)CCO3)C2)c([N+](=O)[O-])cc1O 1780195263 MLZGIYZHUVLIJH-KRWDZBQOSA-N 394.384 -0.289 5 20 GBBD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CCN1 1844413113 XNSTXCNELBEECJ-JTQLQIEISA-N 376.373 -0.339 5 20 GBBD COC(=O)CCNC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 18529735 DKGAQGNEHSUVBO-UHFFFAOYSA-N 388.354 -0.166 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 276056785 BAPMUNGZNQSFSR-KCJUWKMLSA-N 387.370 -0.355 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)NC[C@@H]2C1 280925311 JXHIEDORUYEOSD-SNVBAGLBSA-N 383.386 -0.891 5 20 GBBD O=C([C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 429747144 WLVWRDMXYGKTRP-AWEZNQCLSA-N 384.414 -0.584 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 447936270 NTDUBVUXMRQFEO-VIFPVBQESA-N 377.762 -0.090 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 490608978 OPHWTQSDSGYGDS-ZDUSSCGKSA-N 381.341 -0.266 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CS(=O)(=O)CCO1 512136017 OZVHMMAFKUCJKR-MFKMUULPSA-N 385.398 -0.357 5 20 GBBD CS(=O)(=O)NCCC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 544586674 NJQPVCDRARBHOL-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD Cc1nnc(CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1C 579989458 QQJHTJCUYLTJFZ-UHFFFAOYSA-N 382.402 -0.331 5 20 GBBD O=C(NCC(=O)N1CCNCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 582355058 PUIYNTHRNQFKPB-LLVKDONJSA-N 395.441 -0.191 5 20 GBBD CCc1[nH]nc(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)c1[N+](=O)[O-] 591833314 MBNIPQNLEJNVBZ-LLVKDONJSA-N 382.421 -0.211 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2C[C@H](O)C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 592003980 JLHLNWFOEOGRLL-VXGBXAGGSA-N 395.368 -0.142 5 20 GBBD CN(CC(=O)NCCN1CC[C@H](O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600808356 LTUUVGSGUADJTR-ZDUSSCGKSA-N 386.430 -0.602 5 20 GBBD CS(=O)(=O)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-n1cnnn1 755280268 MYXMZUKHPCCSDI-UHFFFAOYSA-N 377.360 -0.676 5 20 GBBD CN1C[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O 1591168711 WVHFFAXYULTABM-SECBINFHSA-N 395.401 -0.078 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)n1 1606246257 IRTPEMZEZQEGHN-LLVKDONJSA-N 390.385 -0.046 5 20 GBBD O=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)C1 1779393395 HBFFJRFZFRDOJG-INIZCTEOSA-N 377.357 -0.260 5 20 GBBD CC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785214371 RRXYIDQWGMWRPX-MXAVVETBSA-N 395.416 -0.458 5 20 GBBD O=C(c1ncon1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824814 IBEUTSVIGFPCOC-UHFFFAOYSA-N 388.340 -0.343 5 20 GBBD O=C(CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCC(F)(F)F 53360868 ROPPZOIHGORPNL-UHFFFAOYSA-N 388.258 -0.015 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)NCCC(=O)N1CCN(c2ncccn2)CC1 263754948 CBXSVEPBRSYPNO-UHFFFAOYSA-N 388.388 -0.564 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264172213 KDCFVUDFXGORAE-LBPRGKRZSA-N 399.429 -0.219 5 20 GBBD CNC(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 267874729 LYEMRNKZKUZLFL-UHFFFAOYSA-N 385.402 -0.352 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1)N1CCOCC1 268189883 ZGHUPRWROHBANT-UHFFFAOYSA-N 394.359 -0.123 5 20 GBBD COC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O 276686492 CFQBRGHYNHYOJV-NOZJJQNGSA-N 389.386 -0.746 5 20 GBBD COc1ccc(NC(=O)[C@@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 376784156 FXENXXGZRWNBFJ-GHMZBOCLSA-N 391.384 -0.427 5 20 GBBD COc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc([N+](=O)[O-])c1OC 424248745 SNCHJZSIPHIQTI-LLVKDONJSA-N 388.354 -0.064 5 20 GBBD O=C(c1cn(CCO)c(=O)nc1O)N1CCOc2ccc([N+](=O)[O-])cc2C1 427966345 PBWSNRAYFSXVCG-UHFFFAOYSA-N 376.325 -0.116 5 20 GBBD NC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 466911276 PTRPGVHABDDRLD-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2c(O)nnc2C1 468911587 JBQRGIRPCGDKLY-UHFFFAOYSA-N 383.342 -0.117 5 20 GBBD CCN(CC(=O)NC(C)C)C(=O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O 497672128 WUJNGIJJOXSRLF-UHFFFAOYSA-N 382.373 -0.084 5 20 GBBD CN(Cc1cn(C)nn1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 598226610 PWKPSZSBGZMNKA-UHFFFAOYSA-N 397.417 -0.169 5 20 GBBD COC(=O)c1ccnc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 598607133 NSUPBFLCUAPTPT-VIFPVBQESA-N 386.386 -0.484 5 20 GBBD NC(=O)NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 736104234 JZTOVARFSAOJLI-LBPRGKRZSA-N 385.402 -0.468 5 20 GBBD O=[N+]([O-])c1c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2ccccn12 778580744 HSDABGUZJHSFOT-VXGBXAGGSA-N 381.414 -0.478 5 20 GBBD O=C(NC[C@H]1CCS(=O)(=O)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1323252367 SPIWSPRVWNUOCK-LLVKDONJSA-N 397.409 -0.265 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1323354709 JXZSHOMARGQZOV-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1323469642 MZIMDWJMRNRLNN-CQSZACIVSA-N 398.441 -0.206 5 20 GBBD O=C1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CN1 1780420002 YMOQZXKOUQHOHQ-GTNSWQLSSA-N 391.384 -0.498 5 20 GBBD CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1798011964 FGFVGYMGLXAEIU-PTEHBNRSSA-N 378.389 -0.917 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845541345 ZOLHJLMMBBHJHA-UHFFFAOYSA-N 390.400 -0.091 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 274973820 CNQQKSYINKRKOE-MRVPVSSYSA-N 382.347 -0.394 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O 274991312 MVWQLRQXAGNFLL-SSDOTTSWSA-N 390.326 -0.165 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c(C)c([N+](=O)[O-])c1 276945996 VIPXVQNWBKOLEJ-VIFPVBQESA-N 378.341 -0.038 5 20 GBBD COCCN(C)CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 285864591 HWPQCNDJOMUXQU-UHFFFAOYSA-N 393.444 -0.062 5 20 GBBD COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)OC 293448413 RRSDIUUOTYPVCI-CYBMUJFWSA-N 397.340 -0.001 5 20 GBBD CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 299387355 ZGACZUHEFNSEAL-UHFFFAOYSA-N 375.359 -0.358 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)OC)[C@H](C)O)cc1[N+](=O)[O-] 416466212 PSGZTADMFQIXDS-WRWORJQWSA-N 376.343 -0.418 5 20 GBBD Cn1c(O)ncc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O 435365734 IWTJAFHPSUNABD-UHFFFAOYSA-N 397.369 -0.898 5 20 GBBD O=C1NC(=O)[C@@]2(CCCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)N1 447749941 FVOUBWFVEDKQSX-INIZCTEOSA-N 385.340 -0.010 5 20 GBBD Cc1c(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 575184565 VLYQBLCRLTUOHM-HNNXBMFYSA-N 395.397 -0.237 5 20 GBBD NC(=O)C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 588803414 OOIQANKAQGWPLX-NSHDSACASA-N 384.414 -0.013 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccon1 590784319 QAADJSMMCXBAOE-UHFFFAOYSA-N 395.397 0.528 5 20 GBBD Cn1cc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(=O)n(C)c1=O 770773601 RTRVIDVEGKZURX-UHFFFAOYSA-N 386.317 -0.750 5 20 GBBD CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 795156997 JAQQFZKSKSJSKT-SSDOTTSWSA-N 382.192 -0.258 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@@H]2CNC(=O)O2)cc1[N+](=O)[O-] 808430348 FFSBJPZIIKGTIK-QMMMGPOBSA-N 388.358 -0.434 5 20 GBBD O=C(N[C@@H]1CCS(=O)(=O)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1262492274 DIFGFVDZYQJIPD-SNVBAGLBSA-N 383.382 -0.512 5 20 GBBD O=[N+]([O-])c1ccc([C@H](O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1319846182 SHHPNOIIAVDZHD-XHSDSOJGSA-N 385.442 -0.596 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382016 CTVZFTYIAXCNQW-YVEFUNNKSA-N 392.416 -0.144 5 20 GBBD CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1830521919 WYNUKRVSHRESOH-WBMJQRKESA-N 397.388 -0.841 5 20 GBBD NC(=O)NC(=O)CCCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 64431153 QTLGRYDXOOZVQG-UHFFFAOYSA-N 399.429 -0.124 5 20 GBBD CN[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 262585866 VIJZONJEZCTXDU-AWEZNQCLSA-N 396.429 -0.317 5 20 GBBD COC[C@H](O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 265464790 OAAWBBNZDFHDOK-LLVKDONJSA-N 376.435 -0.146 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1(CO)COC1 269716717 UVEIPWSZVBLTOQ-UHFFFAOYSA-N 388.402 -0.819 5 20 GBBD C[C@@H](C[S@](C)=O)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273110163 QBTVXNLJXRPASL-JUZXBQNTSA-N 392.459 -0.061 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCOc1cccc([N+](=O)[O-])c1)C2 276462542 QQXCFHDZZHHROA-UHFFFAOYSA-N 390.400 -0.064 5 20 GBBD CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])[nH]n1)C(=O)NCCN1CCOCC1 285876213 JFIMSUDZSOYTGE-BXUZGUMPSA-N 382.421 -0.089 5 20 GBBD O=C(C1=NN(CCO)C(=O)CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 367234096 JZXHKXUAFZHLOK-NSHDSACASA-N 376.373 -0.027 5 20 GBBD COCC1(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 451119074 ZPASIWLENBITSP-UHFFFAOYSA-N 393.443 -0.029 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NC[C@H](O)C(F)F)c([N+](=O)[O-])c1 475210697 HWKBNMKUEUIORQ-JTQLQIEISA-N 382.345 -0.214 5 20 GBBD CCc1[nH]nc(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 550645041 SZSRJGUEYSKNHX-SECBINFHSA-N 387.418 -0.354 5 20 GBBD NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 552832039 MTTSTMPWBJPZOS-VXGBXAGGSA-N 396.425 -0.061 5 20 GBBD CCc1ccc(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 583081370 QBYDMDKOSIBPDW-CYBMUJFWSA-N 378.428 -0.015 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 591572972 HHBMYKPQBUFSBX-GXTWGEPZSA-N 392.416 -0.787 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 594878903 MAXSKHFBMIJNAV-ZIAGYGMSSA-N 390.400 -0.836 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1(OCCO)CCOC1 597996922 RIXADQSNWWLTDA-YVEFUNNKSA-N 381.385 -0.003 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 599316163 LKNBVQXLEYCXFI-VHSXEESVSA-N 395.463 -0.285 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 603555654 DOFCTOMOJKYKOH-UHFFFAOYSA-N 394.431 -0.587 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 619875562 NIEPLBRXARIQQR-CQSZACIVSA-N 395.368 -0.120 5 20 GBBD O=C1CCC(=O)N1CCC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861407021 PGTGKTFPKXMLEY-UHFFFAOYSA-N 399.381 -0.357 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 1323907280 YFWYEFGMZFIYFJ-ZDUSSCGKSA-N 392.416 -0.328 5 20 GBBD O=C1CCCN1C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1593392524 GPVFDSHLVIWCLM-UHFFFAOYSA-N 393.385 -0.230 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781540096 IKGWKMHWMVBOQE-SJCJKPOMSA-N 393.400 -0.970 5 20 GBBD CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4[N+](=O)[O-])[C@H]3C2)COC1 1788809716 KAKSOKFXSBYFKE-GVXVVHGQSA-N 393.400 -0.052 5 20 GBBD COCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810242 KOIMZMHRGWQCIR-GVXVVHGQSA-N 381.389 -0.052 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)[C@H]1CCOC1 1791753466 QVWOYSJOCNTVSH-CYDGBPFRSA-N 393.400 -0.052 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1794004038 JKTYGZNDYFWFGN-DDFAGTSDSA-N 391.344 -0.922 5 20 GBBD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165378 KOHLZGXCJZIPRK-AVGNSLFASA-N 393.404 -0.560 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 272991828 NGVALDQXUZAOIU-KGLIPLIRSA-N 390.352 -0.022 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC(=O)NS(C)(=O)=O 277802757 XVHLGMBMAUBBSF-VIFPVBQESA-N 386.386 -0.705 5 20 GBBD O=C1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCN1 299091581 NMZQCELWCJJPML-LBPRGKRZSA-N 396.425 -0.046 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 370899708 PUOMLGNJOUKBOW-CYBMUJFWSA-N 384.414 -0.135 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 372150498 VAOBYZBMRXSKIV-SNVBAGLBSA-N 379.416 -0.084 5 20 GBBD COc1cc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)ccc1[N+](=O)[O-] 378548351 KSODQRDLVWYBDH-UHFFFAOYSA-N 382.358 -0.461 5 20 GBBD CNS(=O)(=O)[C@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 532736935 KMSXIFQTLFXRSF-STQMWFEESA-N 382.398 -0.150 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCS(=O)(=O)NCc2ccccc2)c1 591728099 UNFNMMCBMATRRP-OAHLLOKOSA-N 383.430 -0.139 5 20 GBBD COC(=O)COCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 599445523 CNFAHXBQWBWTMY-UHFFFAOYSA-N 376.343 -0.151 5 20 GBBD O=C(NCCN1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 608959632 VICWOCYKUQHVDE-UHFFFAOYSA-N 385.398 -0.174 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 609518029 PHSKCXXFTAPAMT-NSHDSACASA-N 392.368 -0.167 5 20 GBBD C[S@@](=O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 735106251 XWVXAQTXTOCJNA-HSZRJFAPSA-N 378.432 -0.449 5 20 GBBD CC(C)N(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1801549301 AXRBGBVDVVVPIJ-DABQJJPHSA-N 394.432 -0.139 5 20 GBBD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)n1cncn1 1848163637 OEDSPLGUSCJIMP-XBFCOCLRSA-N 388.388 -0.154 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 65841940 JASBUTYUOGYIKP-UHFFFAOYSA-N 380.405 -0.897 5 20 GBBD CC(C)NC(=O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 66356071 MWLXJAMSTKPZAY-UHFFFAOYSA-N 387.418 -0.303 5 20 GBBD CN[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 262041745 GJJMCIHKGSBETG-CQSZACIVSA-N 396.429 -0.317 5 20 GBBD COC(=O)CN(CCN1CCOCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 264625401 MMOYLFILDOUXOS-UHFFFAOYSA-N 382.373 -0.910 5 20 GBBD COCCNC(=O)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 265517565 JZEISFZVVYWUBK-UHFFFAOYSA-N 396.356 -0.427 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N[C@@]2(CO)CCOC2)c([N+](=O)[O-])c1 273370178 CIVANJNDTQQFHR-CQSZACIVSA-N 388.402 -0.688 5 20 GBBD CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])[nH]n2)CC1 286066329 KWUILFJYYDYPJQ-UHFFFAOYSA-N 375.407 -0.170 5 20 GBBD O=C(N[C@@H]1COC[C@H]1O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 296852743 HPJMUGFVSIRAMP-NILFDRSVSA-N 399.425 -0.129 5 20 GBBD CN(C)S(=O)(=O)N[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 457884062 XULYRKXQBCBPQI-ZDUSSCGKSA-N 388.450 -0.138 5 20 GBBD Cn1cc(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C(N)=O 515320837 VOFJUJQAZWMVJY-UHFFFAOYSA-N 381.370 -0.051 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 521843383 LAOBKGMOOKUTSM-ZIAGYGMSSA-N 387.389 -0.039 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c([N+](=O)[O-])n1 553624940 ZJPSYSKLRMTVOW-VIFPVBQESA-N 381.436 -0.534 5 20 GBBD CNS(=O)(=O)c1ccc(N(CCN(C)C)CC(=O)N(C)C)c([N+](=O)[O-])c1 596462079 KNRHFONJNRBWET-UHFFFAOYSA-N 387.462 -0.041 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 596749749 SDHQCNPGBNVFNV-NWDGAFQWSA-N 387.418 -0.050 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 598031459 XDWIPNOTTUPYFP-OLZOCXBDSA-N 381.370 -0.283 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N1 599525552 JWPUOYKHWQQBRA-QWRGUYRKSA-N 384.414 -0.096 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NCCCN(C)S(C)(=O)=O 744651672 IVLPJPXTUKKYPE-UHFFFAOYSA-N 391.406 -0.959 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 773672243 CBBZXKKQEOEJHF-ZDUSSCGKSA-N 380.357 -0.303 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C[C@@H]12 778852650 FFWXOPNACZNQOI-AWEZNQCLSA-N 389.368 -0.192 5 20 GBBD C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCN1S(C)(=O)=O 853852261 DEUUZCNPHDXUTG-SECBINFHSA-N 378.432 -0.288 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NOCCN1CCCC1=O 856036752 LADALIBNPRTYHO-UHFFFAOYSA-N 378.341 -0.010 5 20 GBBD COC(=O)[C@H](CSc1ncnc(N2CCOCC2)c1[N+](=O)[O-])NC(C)=O 856753995 BGOTULYTPGKPNT-JTQLQIEISA-N 385.402 -0.009 5 20 GBBD NC(=O)[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 858694093 GIAIMLXAMRJTMD-YPMHNXCESA-N 384.414 -0.196 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1344988682 DTOJPHSZFQCYEJ-QGZVFWFLSA-N 376.369 -0.092 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1609537897 AHUGXDNREIUZJG-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798685931 PCNNOTKKNRIZOO-VLEAKVRGSA-N 393.404 -0.838 5 20 GBBD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165347 JPBQLTQGNNJLRN-CQDKDKBSSA-N 392.416 -0.140 5 20 GBBD Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 30001226 CMCKQESCAPRXIH-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD CCCc1[nH]nc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 69443103 GLMJHIRYJOQFTE-UHFFFAOYSA-N 394.432 -0.113 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 263663690 CSXQZWUDDUYWMM-UHFFFAOYSA-N 380.386 -0.258 5 20 GBBD CN(CC(=O)N1CCNC(=O)C1(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265705537 SHNPJDZABZTFNK-UHFFFAOYSA-N 384.414 -0.048 5 20 GBBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 275869062 DRJZGGGTRMIEJD-VIFPVBQESA-N 395.759 -0.644 5 20 GBBD C[C@@H]1CC(=O)N[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 294149258 OSFROGMZPJFHOG-GWCFXTLKSA-N 384.414 -0.096 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 298481951 GQALZVUZOMPFFL-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 299141239 SXQKZIOIPRYTOF-UHFFFAOYSA-N 378.389 -0.525 5 20 GBBD CN1N=C(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 299258529 CHTCNQKLFPZPBZ-UHFFFAOYSA-N 383.386 -0.403 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(C)C[C@H](C(=O)OC)C2)c([N+](=O)[O-])n1 416576484 DCAWFRIXMBYERC-JTQLQIEISA-N 375.407 -0.464 5 20 GBBD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 467243421 QGBFOOYZJYDNDY-UHFFFAOYSA-N 379.333 -0.544 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3CNC(=O)C3)c([N+](=O)[O-])c2)CC1 498874405 PMLIOYJIRCPKPG-NSHDSACASA-N 383.430 -0.169 5 20 GBBD NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 574261863 XUHNLJFURUQWKJ-CYBMUJFWSA-N 377.401 -0.476 5 20 GBBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1CCS(=O)(=O)N1 594347794 URUMXIZNCVEQOL-CYBMUJFWSA-N 394.413 0.148 5 20 GBBD COCCNS(=O)(=O)c1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 609794727 QDTVKEZXWSWBRW-UHFFFAOYSA-N 398.401 -0.573 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCO1 1329665075 PUDJXZNCPPHHGO-LBPRGKRZSA-N 384.776 -0.162 5 20 GBBD C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1589889439 IESVKZVXEJHZRS-IUCAKERBSA-N 384.374 -0.258 5 20 GBBD CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784079 NKBSNQUPYUEEBN-QGZVFWFLSA-N 378.385 -0.004 5 20 GBBD C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787478087 QELLHPSONGILPS-BJDJZHNGSA-N 394.388 -0.954 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788118731 GWEFIPLGSKMJMI-WJTVCTBASA-N 393.400 -0.318 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832120803 TTXVKXMTWRUKIE-OHUAYANFSA-N 397.363 -0.254 5 20 GBBD CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 23754427 ZRKFJQFMEMURKD-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD O=C([C@H]1C[C@H](O)CN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262341027 AIPZFOVTRRDJAD-GXTWGEPZSA-N 384.414 -0.850 5 20 GBBD COc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] 264079865 JJFGSLOVGUWJFG-JSGCOSHPSA-N 399.425 -0.169 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)C[C@H]1CCOC1 265287223 JRTMTQOIBWORIX-NSHDSACASA-N 393.443 -0.171 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCN2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 272807688 ISEZYVVBACZWMK-UHFFFAOYSA-N 398.441 -0.520 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 273261006 CDKLTXGIPKDLKD-WCQYABFASA-N 385.398 -0.472 5 20 GBBD Cc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 299693076 VEDACTQXOWIGQJ-GJZGRUSLSA-N 383.426 -0.181 5 20 GBBD CN1CCN(C(=O)[C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 368838044 IWQZBXOXYGGLOL-CQSZACIVSA-N 377.401 -0.479 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CN2CCCN1CC2 372351049 QBTRPKLZFKDOJY-OAHLLOKOSA-N 397.457 -0.621 5 20 GBBD CN[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 423597148 SXQKLDXSHAZXIY-CYBMUJFWSA-N 376.417 -0.151 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NC[C@](C)(O)CO)c([N+](=O)[O-])c1 480857696 OSQLDJJQXHZIMV-AWEZNQCLSA-N 376.435 -0.410 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N[C@H]3CNC(=O)C3)c([N+](=O)[O-])c2)CC1 498874402 PMLIOYJIRCPKPG-LLVKDONJSA-N 383.430 -0.169 5 20 GBBD CN(C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1)S(C)(=O)=O 552613584 OOGPRSWOHAWOMJ-GFCCVEGCSA-N 386.430 -0.114 5 20 GBBD Cc1nn(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n1C 594004946 DYMOKKRHNISYRF-UHFFFAOYSA-N 383.386 -0.611 5 20 GBBD NC(=O)c1cc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ccc1[N+](=O)[O-] 596211616 WNMBFSXQADTCJZ-UHFFFAOYSA-N 380.386 -0.072 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 604429953 QXXIIMRUKXTANI-UHFFFAOYSA-N 398.441 -0.156 5 20 GBBD Cc1nnc(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C 609988437 JYTYDEOGRPXXDM-UHFFFAOYSA-N 382.402 -0.031 5 20 GBBD CCOC(=O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 611859707 FCBGPYZFOASLHT-GFCCVEGCSA-N 389.386 -0.697 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 1117118798 SFTLGDIXMGEICQ-OAHLLOKOSA-N 378.385 -0.383 5 20 GBBD C[C@H](N)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1329610127 URIDGSZMOBZLLT-JTQLQIEISA-N 383.430 -0.254 5 20 GBBD O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)N1 1795389495 JATCKHJVLYCWTK-JNIYBQFBSA-N 391.384 -0.595 5 20 GBBD O=C1OCCN1CC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1841483650 GIVJMJRMDTZYFN-UHFFFAOYSA-N 378.345 -0.413 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)Cn2ccccc2=O)C1 1843036303 JWQWMSBHDPCCCV-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD CN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 265838629 WJLZKPNYJDIJER-GFCCVEGCSA-N 385.402 -0.597 5 20 GBBD C[C@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 267239930 GYSAVYZUNSEHIJ-NSHDSACASA-N 384.414 -0.060 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 267739892 VNMVSTVOGMVZHK-MRXNPFEDSA-N 394.428 -0.134 5 20 GBBD COCCNC(=O)CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 272920192 INIGDADMMGBBKR-HNNXBMFYSA-N 396.444 -0.285 5 20 GBBD Cc1c([N+](=O)[O-])cc(C(=O)O)cc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 368622601 NMDKGRKPLZHXFE-SNVBAGLBSA-N 384.370 0.000 5 20 GBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 372828982 CSVKEOWUGPCVQD-SNVBAGLBSA-N 375.407 -0.170 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O 422674878 XKQZQQLZFYQGJB-SECBINFHSA-N 396.356 -0.020 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 457796524 LWERFVCDQSTQNI-UHFFFAOYSA-N 382.402 -0.094 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 468649703 QKSASHZMZFTIME-BXKDBHETSA-N 378.341 -0.787 5 20 GBBD C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 470367836 UBOYAHFCASRHSV-YPMHNXCESA-N 387.414 -0.177 5 20 GBBD COC(=O)CNC(=O)CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 535841859 RNERTSYKBALRTR-UHFFFAOYSA-N 394.340 -0.312 5 20 GBBD COCCOCCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 550163397 CRQKUAMADCPQQH-UHFFFAOYSA-N 395.416 -0.192 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593559208 YEEHZSWQLFMHJT-XPTSAGLGSA-N 383.386 -0.011 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 609153448 JUEDGDYZUCROMJ-ZDUSSCGKSA-N 392.368 -0.152 5 20 GBBD C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 610212394 UQFQYOAIWGDBPJ-NSHDSACASA-N 383.430 -0.037 5 20 GBBD CCS(=O)(=O)NCCOC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796275364 IOKISQNZBGDBNL-UHFFFAOYSA-N 395.415 -0.644 5 20 GBBD C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 825990582 NRVYMLFOBIQDFI-GZMMTYOYSA-N 377.309 -0.109 5 20 GBBD O=C(O)C1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1 833176840 HVTCMJWJPYOSTR-UHFFFAOYSA-N 378.384 -0.095 5 20 GBBD COc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)ccc1[N+](=O)[O-] 849432952 CIEJWJJVZWANBL-CABZTGNLSA-N 380.400 -0.306 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851327796 NRZPAMKQHVBIGA-MRVPVSSYSA-N 378.388 -0.781 5 20 GBBD CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786477703 PFMYLOJAWHEKOK-SRVKXCTJSA-N 380.405 -0.527 5 20 GBBD O=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)CN1 1801671742 RRRRKBUWYLPSBB-FVCCEPFGSA-N 390.400 -0.434 5 20 GBBD O=C1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)N1 1848161686 BKCCBNQAYVWMGI-AGIUHOORSA-N 376.373 -0.728 5 20 GBBD CCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 52088761 KVTKVLFBGSKZQH-UHFFFAOYSA-N 392.459 -0.025 5 20 GBBD CN(CC(=O)N[C@H](CO)[C@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 468661125 OQAIBFDYJKSXSK-ZIAGYGMSSA-N 387.414 -0.129 5 20 GBBD COC(=O)COc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 518217764 WOMDWAHBEACSNA-STQMWFEESA-N 378.385 -0.110 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)O 548257021 UCPDIQBFQBJHDI-YGWIHHTISA-N 378.384 -0.190 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 596747375 GCDPKUDLUZICBS-AAEUAGOBSA-N 399.429 -0.367 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@]1(OCCO)CCOC1 597992210 BNKPUSJQOKCCJZ-KRWDZBQOSA-N 395.368 -0.396 5 20 GBBD COc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 604429691 SSHNLKLGFDDROJ-UHFFFAOYSA-N 386.430 -0.090 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 619573261 FTTSJSSGJVTZRL-SNVBAGLBSA-N 378.297 -0.997 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 845448843 YOEIQIXBPCJAFE-UHFFFAOYSA-N 399.360 -0.067 5 20 GBBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@@H](CC(N)=O)C2)C1=O 863324901 MAVXWMYBROIIJA-SUMWQHHRSA-N 391.384 -0.105 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1CCCS1(=O)=O 917444045 KXLPUAYBOJFNQU-UHFFFAOYSA-N 377.400 -0.256 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1117538637 HCGFJVOPGZXMKK-CYBMUJFWSA-N 398.441 -0.206 5 20 GBBD NC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780420756 VQUNLZDKHFTOQT-HNNXBMFYSA-N 380.361 -0.965 5 20 GBBD NC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)C1 1810858690 VMQRHALEEZOGDS-NSHDSACASA-N 379.421 -0.551 5 20 GBBD Cc1nn(CCC(=O)N2CCN(CCS(N)(=O)=O)CC2)c(C)c1[N+](=O)[O-] 266704349 GYHPFNOJIPRDSK-UHFFFAOYSA-N 388.450 -0.769 5 20 GBBD COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 268292964 VIYBEGUSJBKZCC-UHFFFAOYSA-N 376.343 -0.060 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN1CCOCC1 298289720 BWNBDPXDSJPOQD-WFASDCNBSA-N 380.401 -0.478 5 20 GBBD COC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 298818059 ZERBYNHMBMCQFL-VIFPVBQESA-N 382.358 -0.467 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCOCC2)cc([N+](=O)[O-])c1 299204966 BJDAZZWHAKPTNM-UHFFFAOYSA-N 385.398 -0.023 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCC(=O)N1CCOCC1 498335003 JEWJSANWNFHMAB-UHFFFAOYSA-N 393.400 -0.241 5 20 GBBD CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](CN)C1 569219297 NYDZMBKYYDOMKD-CYBMUJFWSA-N 385.446 -0.636 5 20 GBBD Cn1ccnc(N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)c1=O 580142831 PVFDCULMTQRHJZ-UHFFFAOYSA-N 394.413 -0.338 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 592910546 AGJPVMSAXNRLEL-OCCSQVGLSA-N 394.384 -0.224 5 20 GBBD CCN(C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 746532062 RXXDNWYJHKRRMQ-UHFFFAOYSA-N 388.402 -0.064 5 20 GBBD COCCOCCS(=O)(=O)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 768207540 ADKRZJJGQIOTTL-UHFFFAOYSA-N 399.385 -0.102 5 20 GBBD NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 778041562 QKPXOYOLVHWZMY-VIFPVBQESA-N 399.385 -0.017 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1 830137075 RNRAFVVDODUZCO-UHFFFAOYSA-N 382.372 -0.059 5 20 GBBD CNC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCO1 859279414 RDJIVYUPBZAPGH-JTQLQIEISA-N 388.402 -0.078 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918191070 HCFQEQAHJXSQMB-VIFPVBQESA-N 375.334 -0.214 5 20 GBBD C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1322821820 DVGAVOUFZRQLFU-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[C@@H]2C1 1328866035 DXGXHMNRZZBNMW-NWDGAFQWSA-N 396.425 -0.142 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C(=O)C1CC1 1792899709 FBDYCUMQUWLZNO-PEGIJTEDSA-N 377.357 -0.500 5 20 GBBD CCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801493876 AREAYRAEFNRWIF-FVCICTRLSA-N 395.416 -0.193 5 20 GBBD NCC(=O)N1CCCC2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)C1 1809676185 BEHFSNBGONMNGQ-UHFFFAOYSA-N 391.428 -0.054 5 20 GBBD NC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 28927099 FUEJSPJOYLGONQ-UHFFFAOYSA-N 385.402 -0.514 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 270883424 OTPMHSOVOJEUPW-NWDGAFQWSA-N 378.385 -0.235 5 20 GBBD NC[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 274794581 NSZQUBUUORWXDG-SNVBAGLBSA-N 387.418 -0.770 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCO)C(=O)O)cc1[N+](=O)[O-] 277219317 HQAURFNFAWHJFW-SECBINFHSA-N 377.331 -0.113 5 20 GBBD CCOC(=O)CC[C@@]1(C)NC(=O)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 287327000 VRDRRVLAADCTCJ-XHDPSFHLSA-N 383.361 -0.194 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](OCCO)C1 295469760 IPEKRKUEPMVHTO-GFCCVEGCSA-N 387.414 -0.127 5 20 GBBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 436965015 JMTCGYJFFWQINT-ZJUUUORDSA-N 385.398 -0.030 5 20 GBBD NC(=O)CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1=O 458042821 GGGFRHMJNYTBJT-UHFFFAOYSA-N 387.352 -0.322 5 20 GBBD COCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(N)=O 469363655 POLVIXTTWIIBRJ-JTQLQIEISA-N 375.359 -0.450 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 473517561 BEBLPXXQOYCXRU-SNVBAGLBSA-N 393.443 -0.330 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCCS(=O)(=O)C1 511376015 FOVYVEXOAMMVDC-VIFPVBQESA-N 381.366 -0.116 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 581022949 PIPBEMXIBUPRPN-GZMMTYOYSA-N 388.377 -0.325 5 20 GBBD C[C@H](CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC(N)=O 594373698 RMRALRAHTKITOR-SNVBAGLBSA-N 387.418 -0.222 5 20 GBBD CN1CCN(C(=O)CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598899214 YIRHWXRZQONABL-UHFFFAOYSA-N 392.416 -0.003 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc([N+](=O)[O-])c1O 598904292 KSLRGYVCAPKNIZ-KWQFWETISA-N 392.324 -0.392 5 20 GBBD O=C(O)[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 615778630 QKELUZGDCFJLIT-VXGBXAGGSA-N 387.370 -0.379 5 20 GBBD CCNS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 732107861 WDRBARYUABTQIE-JTQLQIEISA-N 388.402 -0.152 5 20 GBBD COCCS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 732520744 FRLCAIIOSULVGI-VIFPVBQESA-N 375.359 -0.115 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CCOCC2)c1-c1nn[nH]n1 823647235 IMSSTLGLQAXAOF-UHFFFAOYSA-N 397.417 -0.225 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1593465826 HCIRVXLSLWAQOU-CYBMUJFWSA-N 381.374 -0.436 5 20 GBBD COc1ccc(C(=O)NCC(=O)N(CCN(C)C)CC(=O)O)cc1[N+](=O)[O-] 1594077436 SZEXOTNGZDJGBP-UHFFFAOYSA-N 382.373 -0.192 5 20 GBBD C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)n1cnc(-c2nn[nH]n2)n1 1609068681 LYCNPQCQNHAMHU-SECBINFHSA-N 387.364 -0.012 5 20 GBBD CC[C@@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011094 NYVQPMSZVURWMN-KHQUWSPVSA-N 394.432 -0.106 5 20 GBBD CCNC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411946 WLRZGHUJGHYZNS-SNVBAGLBSA-N 393.404 -0.158 5 20 GBBD O=C1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]cc2[N+](=O)[O-])CN1 1847322666 LLTHWICLELGFDV-DCAQKATOSA-N 376.373 -0.341 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848344284 NYZZQGBWXOECSO-UWVGGRQHSA-N 388.340 -0.154 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 26542091 CYIYRRBYDHODNG-LLVKDONJSA-N 384.414 -0.048 5 20 GBBD C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)CC1 264130002 ISWWLCQYNNDDDZ-NSHDSACASA-N 385.398 -0.265 5 20 GBBD COc1ccc(S(=O)(=O)N(C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 269768394 FCYQEOAENKVEOJ-GFCCVEGCSA-N 389.430 -0.083 5 20 GBBD COCCN1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 282605527 KHWCHGVUHUNAOK-UHFFFAOYSA-N 387.370 -0.197 5 20 GBBD CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 288224237 VUYUPAOTZMMZGB-UHFFFAOYSA-N 380.405 -0.373 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H]1N 423754374 ZMYRIFPEPRVJQX-TZMCWYRMSA-N 389.412 -0.315 5 20 GBBD COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 444439415 VEVLIRZQCRRQEH-HIFRSBDPSA-N 394.384 -0.081 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 460493652 LKFMYAXTWNHPKV-GFCCVEGCSA-N 392.411 -0.303 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC(=O)NCC(F)F 482914430 NHDSVZMUSJYTES-UHFFFAOYSA-N 394.356 -0.239 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])n1 533175655 LGDBSFWROIJYCX-SECBINFHSA-N 381.436 -0.629 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 561747382 NZRXVRTUODHFQL-GFCCVEGCSA-N 388.450 -0.123 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CCN(C)C)C(=O)C1 593784955 WTFITCQOCPBGBV-ZDUSSCGKSA-N 391.428 -0.055 5 20 GBBD COC(=O)c1nc(N2C[C@H](C)[C@H](O)C2)nc(N2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] 596178390 JBXGORRBKCJVTI-VPOLOUISSA-N 381.389 -0.195 5 20 GBBD COC(=O)[C@@H](CC(=O)O)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 737578368 YWPJSMAWDUKTML-SSDOTTSWSA-N 390.326 -0.339 5 20 GBBD Cn1cnn(CC(=O)NS(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)c1=O 765611235 OUXCZPAURGPTLL-UHFFFAOYSA-N 390.765 -0.769 5 20 GBBD CN(C)S(=O)(=O)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 914567464 AAKSKTARYGDRGM-UHFFFAOYSA-N 385.402 -0.116 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 1261164766 BVOXNGOVGLYMGI-UHFFFAOYSA-N 392.416 -0.232 5 20 GBBD CN(C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC(O)C1 1325056904 CXBWYILVOISGAC-UHFFFAOYSA-N 390.396 -0.139 5 20 GBBD Cc1noc(CN(C)C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1 1326875008 SUWTXYUMRALHRD-UHFFFAOYSA-N 389.372 -0.012 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ncccn1 1794816630 HFPQZCZGUBIHEQ-PEGIJTEDSA-N 387.356 -0.375 5 20 GBBD O=C(Cn1ccncc1=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412866 YPEYKMWOZJWLPD-UHFFFAOYSA-N 387.356 -0.608 5 20 GBBD CN[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 262585867 VIJZONJEZCTXDU-CQSZACIVSA-N 396.429 -0.317 5 20 GBBD O=C(NC[C@H](O)C1CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272772159 HLAYKIJTQIIPFB-XBFCOCLRSA-N 399.425 -0.394 5 20 GBBD CNC(=O)C1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 274388603 OPPWHYFYHZPLHX-CQSZACIVSA-N 396.425 -0.048 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 376771902 ITSBKTAPHWVXMN-GXFFZTMASA-N 384.414 -0.007 5 20 GBBD O=C(NCCCNC1CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 419851236 IPYYFGUUURYDSG-UHFFFAOYSA-N 376.417 -0.103 5 20 GBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424362724 ASUWYULPLWCNMT-JTQLQIEISA-N 378.384 -0.224 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C[C@@H](O)CN1CCOCC1 497049953 LXDKSLIRWCXDQN-KGLIPLIRSA-N 398.464 -0.021 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 510166453 LPJLAICLGYIESO-SNVBAGLBSA-N 398.397 -0.100 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 572900578 KAOPCDUJUSRCNB-NEPJUHHUSA-N 375.385 -0.079 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCN1 597641972 FWALXBKQGHSGHG-YPMHNXCESA-N 384.414 -0.154 5 20 GBBD CC(=O)N1CCN(CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598895180 VFZKZTHFKVOINK-UHFFFAOYSA-N 392.416 -0.003 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1N[C@H]2CC[C@H]1C2 600379784 PTYMPJRTQWQCFI-FMSGJZPZSA-N 396.425 -0.013 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 603555659 GDSHYDYPCIQHSO-UHFFFAOYSA-N 392.459 -0.151 5 20 GBBD CC(C)(C)OC(=O)NCCS(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 803038716 YAGYZNAOQGCBQM-UHFFFAOYSA-N 377.379 -0.238 5 20 GBBD O=C(C(=O)N1CCC[C@H](O)C1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1261323230 AHOHFZNEDHMNAD-ZDUSSCGKSA-N 390.396 -0.138 5 20 GBBD O=C(C(=O)N1CCN2C(=O)NC[C@@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1328566072 IEFKCBBAFISWJM-GFCCVEGCSA-N 389.368 -0.580 5 20 GBBD CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794004016 ZKLREFYSHCTSBQ-FVCICTRLSA-N 394.432 -0.620 5 20 GBBD O=C(NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1)C(O)O 1833219039 HTPDJOOOKHTRLO-UHFFFAOYSA-N 396.400 -0.316 5 20 GBBD Cc1nnc(CC(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)o1 1841999176 ASIJAXQILIYVRW-UHFFFAOYSA-N 389.372 -0.071 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O 275097862 QCBFVOJHNFRLJW-SECBINFHSA-N 389.342 -0.622 5 20 GBBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 275973356 UZZWWGVILYGIGC-SECBINFHSA-N 395.759 -0.644 5 20 GBBD CO[C@H](C)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 276063169 RDFPRMSIMSUVPP-WZRBSPASSA-N 387.414 -0.130 5 20 GBBD O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 514858360 UMLHJKALJVCCJK-HNNXBMFYSA-N 378.297 -0.027 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 545366306 IGLNGDCNBGKUSO-JTQLQIEISA-N 398.353 -0.694 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] 566493658 UQBBKLCWSUHTOK-QMMMGPOBSA-N 375.338 -0.327 5 20 GBBD O=C(CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)NCCN1CCOCC1 732157741 FUIGAJFEEGFXPV-UHFFFAOYSA-N 390.400 -0.491 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n1 780378300 UFFSVLXJEKARRS-UHFFFAOYSA-N 379.354 -0.267 5 20 GBBD CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825856556 WWQGBKMYFXOLTR-ZDUSSCGKSA-N 385.406 -0.634 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 856732573 VISOKBADRQJZNC-UHFFFAOYSA-N 394.388 -0.567 5 20 GBBD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ncccn2)CC1 913305295 LQXXRNKUZYQNPU-GFCCVEGCSA-N 389.372 -0.138 5 20 GBBD Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C2=O)cn1 1324915737 OAONOOPEAWEBFW-AWEZNQCLSA-N 386.368 -0.134 5 20 GBBD CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1328220020 ZCQIHEALXOJGHH-ZDUSSCGKSA-N 381.389 -0.171 5 20 GBBD O=C1NC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)O1 1780414267 QMKYPNCRVDQEGP-ZBEGNZNMSA-N 393.356 -0.525 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783173642 GGGHLDHANJJJEO-QFYYESIMSA-N 394.388 -0.714 5 20 GBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1835551076 ACYWIEFOSKDNOA-KRWDZBQOSA-N 396.375 -0.237 5 20 GBBD CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1845237766 AHRRSYUZYGHUKH-JTQLQIEISA-N 376.373 -0.244 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 69411313 AAGQLYAJGRYTGK-SECBINFHSA-N 379.416 -0.578 5 20 GBBD O=C([C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262635301 OFVRSVNXEFXEJV-AWEZNQCLSA-N 384.414 -0.584 5 20 GBBD CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)co1 271723209 YCATTXVLTNPCOE-JSGCOSHPSA-N 399.381 -0.080 5 20 GBBD CC(=O)N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 422238030 QVKYUQPPDVGLTL-LBPRGKRZSA-N 399.429 -0.207 5 20 GBBD CCN(C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)S(C)(=O)=O 440313571 GAOZXJLFYWORRM-CQSZACIVSA-N 375.451 -0.102 5 20 GBBD O=C([C@H]1C[C@@H](O)CN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 478010645 PQAFRCRBINYHLP-TZMCWYRMSA-N 384.414 -0.850 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1COCCO1 518483431 ZFVJQJQUVNYEDY-LBPRGKRZSA-N 388.402 -0.412 5 20 GBBD O=C(NCC(=O)N1CCNCC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 567667763 VCHCOYVJMNVKGJ-LLVKDONJSA-N 379.373 -0.660 5 20 GBBD NC(=O)c1ccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)nc1 581507298 JDBKETKOSTXNBE-UHFFFAOYSA-N 386.368 -0.401 5 20 GBBD CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])C1 584842491 VALPNRGNPCUFBY-UHFFFAOYSA-N 387.370 -0.229 5 20 GBBD O=C1NCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 596642102 FOIGZNIZYKBWIX-LLVKDONJSA-N 382.398 -0.436 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](O)[C@@H]1CCOC1 609926975 BVEAMTLMYYCKIE-RISCZKNCSA-N 387.414 -0.223 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N3C[C@H](O)C[C@H]3CO)cc2[N+](=O)[O-])CC1 611479552 RXTIVHPJWPXRMI-LSDHHAIUSA-N 392.412 -0.169 5 20 GBBD O=C1CC[C@@H](N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C(=O)N1 765962626 USCFEMMPLUTMBJ-CYBMUJFWSA-N 382.398 -0.294 5 20 GBBD CCOC(=O)CS(=O)(=O)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 838848123 FULNRZSIRGIHPD-UHFFFAOYSA-N 387.370 -0.276 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 856783508 XXGMHXZBQYAROD-IHRRRGAJSA-N 392.368 -0.204 5 20 GBBD O=C(NCC1(O)CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1582412219 JYSXGGMMHCIWOA-DGCLKSJQSA-N 391.363 -0.666 5 20 GBBD CCN1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O 1604336245 PQXHCLOKEWQSBA-MRVPVSSYSA-N 381.374 -0.326 5 20 GBBD CNCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379997 RAGYZNGXKWBYLG-MRXNPFEDSA-N 380.405 -0.239 5 20 GBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1835541520 DIECJUJKLCBRLY-GOSISDBHSA-N 392.412 -0.448 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840965801 NBBDROZAYDJZKO-JTQLQIEISA-N 379.373 -0.402 5 20 GBBD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)CCN1 1843391083 SJODQTWBRRBJFF-SNVBAGLBSA-N 376.373 -0.339 5 20 GBBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 268639823 QWFPRXUQYKLJRU-LBPRGKRZSA-N 382.398 -0.457 5 20 GBBD COc1ccc(S(=O)(=O)NCCNS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] 277163272 LXWDRLGJYGKMQB-UHFFFAOYSA-N 396.447 -0.286 5 20 GBBD COc1cc(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 518397375 GONNZSYXZQDHDJ-GFCCVEGCSA-N 380.400 -0.569 5 20 GBBD Cn1cnnc1N1CCN(S(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)CC1 594576228 XWNMFIWKUAHKKI-UHFFFAOYSA-N 396.385 -0.068 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594758532 CPIKCQRDBJPCOO-YMTOWFKASA-N 383.386 -0.011 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn[nH]3)CC2)cc1[N+](=O)[O-] 604145832 NFDJUSHOAVXPCM-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD C[S@](=O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 735106252 XWVXAQTXTOCJNA-QHCPKHFHSA-N 378.432 -0.449 5 20 GBBD NC(=O)CN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1=O 839582873 VNUBEWUJPFVGDI-UHFFFAOYSA-N 383.748 -0.657 5 20 GBBD CCONC(=O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 846002744 MVNFLTSZMOHNIK-UHFFFAOYSA-N 388.358 -0.103 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CC=CCC1 1117402339 DSJDUUZRFCVIHA-UHFFFAOYSA-N 382.398 -0.222 5 20 GBBD CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1323468624 IFOVJQDRTLXZHA-UHFFFAOYSA-N 391.428 -0.338 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1330659804 KBQXRCNFROLWDE-QWHCGFSZSA-N 383.382 -0.635 5 20 GBBD C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603696217 POZCKZYMQLVEPJ-GXSJLCMTSA-N 398.401 -0.065 5 20 GBBD Cn1ccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1794874359 DONQYCMQERWHLU-JGPRNRPPSA-N 389.372 -0.432 5 20 GBBD CC(C)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010974 NMTVJZYDBKYNKJ-JJLQDPRZSA-N 394.432 -0.091 5 20 GBBD CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834986178 NCDXTDAHCUBACI-INIZCTEOSA-N 397.388 -0.576 5 20 GBBD C[C@@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16519683 YMLLYOQKXIVFOP-JTQLQIEISA-N 385.402 -0.516 5 20 GBBD CS(=O)(=O)CCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 264736392 LWTYOSLWSVVLJR-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD CC(C)(O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272834036 OQBGWNYTWARORZ-PWSUYJOCSA-N 387.414 -0.394 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 272957724 RHVKJCSYUPKKQA-CQSZACIVSA-N 392.412 -0.243 5 20 GBBD CNS(=O)(=O)N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 295970082 NJAMYPRTLNIPJB-UHFFFAOYSA-N 383.430 -0.434 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 370899709 PUOMLGNJOUKBOW-ZDUSSCGKSA-N 384.414 -0.135 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCCN)C2)cccc1[N+](=O)[O-] 419759018 LPXWXGDBQUWACJ-CQSZACIVSA-N 391.428 -0.167 5 20 GBBD CCS(=O)(=O)C1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 456319263 ZRHBYDRJRAFTBY-UHFFFAOYSA-N 383.382 -0.034 5 20 GBBD COC(=O)[C@@H](O)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 478115012 XSMOAFPTGCZCKU-HNNXBMFYSA-N 394.384 -0.473 5 20 GBBD C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516810598 IMWOVRCPKMQMEN-QYOLQKOISA-N 383.430 -0.478 5 20 GBBD CN(CC(=O)N1CC[C@H](CO)[C@@H](O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545987357 HKCQLKMXFWIDOG-RISCZKNCSA-N 387.414 -0.583 5 20 GBBD CNS(=O)(=O)C1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 555232000 KOYODYDRAHEGNI-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD O=C(c1cnn(C[C@@H](O)CO)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 597752789 ICTRMMTZPCCDBF-CYBMUJFWSA-N 376.373 -0.498 5 20 GBBD Cc1cc(S(N)(=O)=O)ccc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599291321 LDZXRMVXZAKDOA-UHFFFAOYSA-N 389.415 -0.237 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 619875559 NIEPLBRXARIQQR-AWEZNQCLSA-N 395.368 -0.120 5 20 GBBD CN1C(=O)CN(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 776200989 XCLGTOFCOJYGQP-UHFFFAOYSA-N 397.413 -0.247 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 788176656 MSOOTULXPJUGMO-UHFFFAOYSA-N 381.370 -0.024 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 914684217 WEFXQACNRIPYCA-UHFFFAOYSA-N 386.434 -0.203 5 20 GBBD O=C(NCCc1cn2c(n1)CCCC2)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261160349 YEKSZSGBCZBKMV-UHFFFAOYSA-N 375.389 -0.201 5 20 GBBD O=C1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CN1CC1CC1 1593399041 PJNLSPWVBQMXJV-UHFFFAOYSA-N 393.385 -0.025 5 20 GBBD CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)C1 1780418410 BTYKTJHTNNNNON-KRWDZBQOSA-N 377.401 -0.072 5 20 GBBD COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1784289102 ZSVXPOHOLCILDC-NHCYSSNCSA-N 397.388 -0.470 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2CC2)cc1[N+](=O)[O-] 9218168 ITQPGFUTNAAQMV-UHFFFAOYSA-N 386.386 -0.263 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(C(=O)C3CC3)CC2)c1=O 60430139 FMUZKQFGLXOBDX-UHFFFAOYSA-N 392.368 -0.376 5 20 GBBD CN[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 262041742 GJJMCIHKGSBETG-AWEZNQCLSA-N 396.429 -0.317 5 20 GBBD Cc1nn(C)c(C(=O)NCCS(=O)(=O)N2CCSCC2)c1[N+](=O)[O-] 264331534 APWZUADMIFJEKH-UHFFFAOYSA-N 377.448 -0.255 5 20 GBBD NC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 265354969 UNNNYSZNABRUGP-UHFFFAOYSA-N 399.429 -0.220 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCN(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 267515837 NLCBRSDXSDCPHP-UHFFFAOYSA-N 385.446 -0.111 5 20 GBBD C[C@@H](CN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nnn[nH]1 274797665 RQUXTLWPJGRFLW-JTQLQIEISA-N 397.417 -0.010 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 276560058 HFAREICOLVADEX-JKSUJKDBSA-N 392.412 -0.148 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 280212513 IJCWNYXIZPGKOM-OAHLLOKOSA-N 399.429 -0.220 5 20 GBBD COc1cc(CCN2C(=O)[C@H]3CNC(=O)CN3C2=O)c([N+](=O)[O-])cc1OC 348503333 ZTEYDPSPYNVSPS-LLVKDONJSA-N 378.341 -0.083 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 372242244 SBSFCTYZHVDETD-NWDGAFQWSA-N 388.446 -0.633 5 20 GBBD NS(=O)(=O)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 451525744 GRYWNWNEXHWTFM-UHFFFAOYSA-N 387.823 -0.168 5 20 GBBD CCOC(=O)[C@@](C)(O)CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 468882832 GDVBQHBDZSJPJN-INIZCTEOSA-N 383.357 -0.237 5 20 GBBD O=C(NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)[C@@H]1CCCN1 578129640 UPCSFGLPNYBKDM-NSHDSACASA-N 395.441 -0.191 5 20 GBBD O=C(C(=O)N1CC[C@@H]2CCN[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591572990 ZDLIAFSPJRNYDA-DZGCQCFKSA-N 388.428 -0.151 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 593792210 LMHGEVNPJNBZQJ-JQWIXIFHSA-N 384.414 -0.137 5 20 GBBD CCN1CCN(CC(=O)NS(=O)(=O)c2cc([N+](=O)[O-])cs2)C(=O)C1=O 732618380 AJCDQDTZRGQRSZ-UHFFFAOYSA-N 390.399 -0.848 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)N1CCN(c2cnccn2)CC1 744664684 PCEPPCWXUSNJLF-UHFFFAOYSA-N 389.372 -0.218 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 813949580 WMCKOTKAQUXFRR-UHFFFAOYSA-N 399.429 -0.444 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1318227118 GFKORYHJUUULCO-CYBMUJFWSA-N 385.446 -0.179 5 20 GBBD O=[N+]([O-])c1cccc([C@H](O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1319636775 HGQYDDRXHRCEQM-XHSDSOJGSA-N 385.442 -0.596 5 20 GBBD CN(C)C(=O)CN1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1591000587 NMKPQAYGDSQGCU-UHFFFAOYSA-N 375.393 -0.230 5 20 GBBD O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)N1 1795387455 ZTMZAPUPHYVIPB-JNIYBQFBSA-N 392.368 -0.330 5 20 GBBD COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798749242 KXTNWMICIXJITM-WDAIWFPHSA-N 395.372 -0.518 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1847819135 DDPXJYGZUUPTPP-DCAQKATOSA-N 399.429 -0.186 5 20 GBBD COC(=O)[C@@H](CO)NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 267493058 DLQPMMRFGFWVCC-SNVBAGLBSA-N 376.325 -0.287 5 20 GBBD COc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 278695328 JLIJFNUFAYQUIK-CQSZACIVSA-N 384.370 -0.034 5 20 GBBD COCCCN(C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 281052563 XRDJFBGZFGKVKK-UHFFFAOYSA-N 388.446 -0.042 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 283029612 YGSJUBWOMNTYRE-UHFFFAOYSA-N 386.386 -0.397 5 20 GBBD COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1[N+](=O)[O-] 424373710 XZTOMSCAGNEGGX-NSHDSACASA-N 394.383 -0.524 5 20 GBBD Cc1ccc(S(=O)(=O)N2Cc3nnc(O)n3C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 424392356 PICCXQBPNVIWNB-SNVBAGLBSA-N 383.342 -0.142 5 20 GBBD O=C(NCCCCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 427830119 ZFAXQALMCOODEN-YPMHNXCESA-N 387.414 -0.393 5 20 GBBD Cc1noc(COCC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 510783530 YACJIRLDMAFCTA-UHFFFAOYSA-N 399.385 -0.102 5 20 GBBD COC(=O)COc1ccc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 518217761 WOMDWAHBEACSNA-CHWSQXEVSA-N 378.385 -0.110 5 20 GBBD Cn1cc(S(=O)(=O)NCCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 524754611 LUIADUANQUVANS-UHFFFAOYSA-N 395.445 -0.176 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 525192514 QIKXZORZJHLLJN-LLVKDONJSA-N 378.432 -0.240 5 20 GBBD CCN1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 559272455 OLIQKZPDPZJLOW-UHFFFAOYSA-N 399.473 0.000 5 20 GBBD NC(=O)c1ccnc(N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 562234378 YBWUPPXITGICFS-UHFFFAOYSA-N 378.389 -0.931 5 20 GBBD COCC(=O)N(C)CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 565960421 DWMFXKCIOCYJHV-UHFFFAOYSA-N 390.400 0.561 5 20 GBBD CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 591114405 WXGFZNOTDWTUGT-SNVBAGLBSA-N 388.402 -0.241 5 20 GBBD CCn1nncc1CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 599113638 RXYBNYCITRYVMA-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600086276 TXYIPUGTZGBDOV-UHFFFAOYSA-N 399.429 -0.243 5 20 GBBD CC(C)(C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)n1cc([N+](=O)[O-])cn1 608812747 CETBENFXEXXKIT-LBPRGKRZSA-N 385.446 -0.142 5 20 GBBD O=C(O)[C@@H]1C[S@](=O)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 776716191 OFQDXTFWBBGVBD-DAOPMYJZSA-N 376.412 -0.015 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 814275017 KWNJZKIQVOEVLY-UHFFFAOYSA-N 384.461 -0.137 5 20 GBBD O=C1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 815109150 VLMWAUMVQMQJHD-NSHDSACASA-N 384.414 -0.094 5 20 GBBD COCCOC[C@@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1261400782 ZXVBTCKDUFODGF-CYBMUJFWSA-N 395.416 -0.194 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1783178101 JHAZCQQKNLHHIO-DIFFPNOSSA-N 393.400 -0.109 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1794006007 DYCHRMJQPCKBPC-LMWOUKEDSA-N 393.400 -0.440 5 20 GBBD O=C(C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)C1CC1 1841306940 TWXFBTDVDZOYMC-UHFFFAOYSA-N 388.380 -0.061 5 20 GBBD O=C(c1cnc[nH]1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824003 QPNIMSJWBRXTEY-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD COC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26485498 FRGPRFKZQNJASM-GFCCVEGCSA-N 380.405 -0.028 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 142386115 FQZFNPWLKIKREE-UHFFFAOYSA-N 386.430 -0.090 5 20 GBBD Cn1cc(N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2=O)cn1 267414561 SJVBBIJLFMRNOM-UHFFFAOYSA-N 380.386 -0.171 5 20 GBBD CNS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 269162104 YPMHZPXQQLCQFW-UHFFFAOYSA-N 389.415 -0.322 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 275085553 JKVACNSZEMEAGM-LLVKDONJSA-N 378.384 -0.392 5 20 GBBD O=C(NC[C@H]1CCCN1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419901206 SUTQZIRJFMDZKW-LLVKDONJSA-N 395.441 -0.191 5 20 GBBD Cc1c(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 590548399 BUSWWXHUFPDRRJ-RYUDHWBXSA-N 398.441 -0.168 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1(C(=O)O)CCOCC1 596000989 YHHPZCYONPZKFT-UHFFFAOYSA-N 387.370 -0.377 5 20 GBBD CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CCO1 599388477 IENUONJUTCABDK-SNVBAGLBSA-N 388.402 -0.078 5 20 GBBD NS(=O)(=O)c1ccccc1N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 615488990 QATIWDRIBKJCCX-UHFFFAOYSA-N 394.413 -0.213 5 20 GBBD CN1CCN(C)[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1579374518 AQWYBIBEPVGASI-NSHDSACASA-N 396.433 -0.701 5 20 GBBD NC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])C2 1592722719 ACUFJWKTOYEEOJ-QWRGUYRKSA-N 386.372 -0.170 5 20 GBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@]2(C(=O)O)CC[C@@]2(C(=O)O)C1 1777568086 SXKXORGHQYSLKC-KBPBESRZSA-N 385.354 -0.002 5 20 GBBD NC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1792282473 GEDGOSZRTZTCSS-NHCYSSNCSA-N 394.388 -0.816 5 20 GBBD NC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 1818013646 BOQZTYLSINMKMR-WCBMZHEXSA-N 391.392 -0.367 5 20 GBBD CN(C)C(=O)CN1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 28729795 NKPMNOJFPUAGPW-UHFFFAOYSA-N 393.400 -0.032 5 20 GBBD COc1ccc(C(=O)NCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 31610837 FADMXCLXIPBUEV-NSHDSACASA-N 385.398 -0.021 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NC(=O)NCc2cccs2)c1=O 42650340 CASQPGWVFQVIPJ-UHFFFAOYSA-N 379.354 -0.057 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cnn(CC(=O)N2CCOCC2)c1 266302298 YRGARDSEFCWFLA-UHFFFAOYSA-N 375.345 -0.112 5 20 GBBD COCCN1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1=O 271054591 AFYQFOSIWSQPMD-UHFFFAOYSA-N 385.398 -0.071 5 20 GBBD COCCN1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1=O 271181661 ZSHUHZVJQLAKCA-UHFFFAOYSA-N 385.398 -0.071 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c(C)c1[N+](=O)[O-] 276896284 UZRZWVGWFSIHHG-SNVBAGLBSA-N 388.358 -0.005 5 20 GBBD Cn1nccc1COCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 283255862 BUPUWTOSIWLBBW-UHFFFAOYSA-N 397.413 -0.060 5 20 GBBD O=C(O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 414611227 LDWZRSLOXRKWGQ-SNVBAGLBSA-N 386.386 -0.011 5 20 GBBD O=C(NC1[C@@H]2CNC[C@@H]12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 418672729 NSZWGIFGUADOLM-ZIAGYGMSSA-N 395.441 -0.172 5 20 GBBD NC(=O)c1cncc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 426531917 UDRDYZWBTDWHJM-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD Cn1cc(C[C@@H](O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 468866046 HWESPORMMZKRAH-CQSZACIVSA-N 397.413 -0.674 5 20 GBBD O=C(NCC(=O)N1CCN([C@@H]2CCNC2)CC1)NCc1ccc([N+](=O)[O-])cc1 567387783 KDAMKFICEWTBLX-MRXNPFEDSA-N 390.444 -0.100 5 20 GBBD Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCCNc1ccccc1[N+](=O)[O-] 590413458 DQSASEHKXGMSER-UHFFFAOYSA-N 395.397 -0.008 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 598028549 OKLVERLFBYTWHL-GARJFASQSA-N 389.434 -0.245 5 20 GBBD O=C(O)CNC(=O)c1ccc(N2CCO[C@H](Cn3cncn3)C2)c([N+](=O)[O-])c1 739812820 MSIBZAWQADZCLN-LBPRGKRZSA-N 390.356 -0.094 5 20 GBBD O=C(CN1C(=O)NC2(CCCC2)C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750757117 BEIBITMIDQEKNC-UHFFFAOYSA-N 397.369 -0.341 5 20 GBBD Cn1nncc1NC(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 815880144 YRLZBQWLHUFBJH-UHFFFAOYSA-N 387.356 -0.354 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 817919288 PLTLKUJIZPUQTO-XJKSGUPXSA-N 391.428 -0.182 5 20 GBBD NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC1 826389631 CTSOEJHWDAHJDY-UHFFFAOYSA-N 381.374 -0.149 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 833144367 XNJMXSCZSBWGBO-CYBMUJFWSA-N 389.324 -0.214 5 20 GBBD COCCN1CC[C@@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 1322549134 BHKYUDFGEQRRIF-CYBMUJFWSA-N 380.401 -0.073 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1328944376 SGHOBMVFOBOPNW-GFCCVEGCSA-N 384.414 -0.596 5 20 GBBD O=C(c1cc[nH]n1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382077 DLUPDEMLFSQKTL-OAHLLOKOSA-N 375.345 -0.202 5 20 GBBD COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1784253880 BCOUCYORRIGNAG-MRXNPFEDSA-N 396.356 -0.013 5 20 GBBD COC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999481 XUOMXVWASDTVDB-UHFFFAOYSA-N 379.373 -0.052 5 20 GBBD CCn1cnnc1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265342580 YTAOYMLYNCMEKN-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD CC[C@H]1C(=O)NCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265535919 IAFVKKDCABMVTA-ZDUSSCGKSA-N 384.414 -0.048 5 20 GBBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 271181441 YVGBCAOTHQHEEX-KGLIPLIRSA-N 384.414 -0.098 5 20 GBBD C[C@H]1OCC[C@]1(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 279348742 CFUJTKUAGAPMLR-ABAIWWIYSA-N 387.414 -0.129 5 20 GBBD CN(CCOCCO)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 282176188 OJALFYJDYGESGQ-UHFFFAOYSA-N 375.403 -0.317 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 283116701 YLSPZRGNJXMKDC-LLVKDONJSA-N 384.414 -0.061 5 20 GBBD COc1ccc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)c([N+](=O)[O-])c1 371611995 PRRSDUQXAKYONK-UHFFFAOYSA-N 382.358 -0.461 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(CCN2CCOCC2)C1 378171797 SVWNHXAULLWJGW-CQSZACIVSA-N 381.437 -0.503 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 425083253 IFPVYCLOIPCMHD-GFCCVEGCSA-N 398.397 -0.473 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 429749225 QMUOEASJXZFJKC-NSHDSACASA-N 399.429 -0.255 5 20 GBBD Cc1cc(=O)c(C(=O)N[C@H]2CCC(=O)NC2=O)nn1-c1ccccc1[N+](=O)[O-] 436018846 LXIRMWCPVLCQPT-JTQLQIEISA-N 385.336 -0.016 5 20 GBBD CC(=O)N1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 499869234 IYDJGOKBHJMACB-LBPRGKRZSA-N 384.414 -0.142 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 531941281 BGUFWIVPPKQTRO-GFCCVEGCSA-N 383.430 -0.083 5 20 GBBD C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)C(=O)O 575872055 DBKPIBMPRQZHQP-CQSZACIVSA-N 389.386 -0.137 5 20 GBBD CN(C)CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 593902717 UUXRVUYKVQXTIO-ZDUSSCGKSA-N 399.473 -0.293 5 20 GBBD O=C1CC(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC(=O)N1 726822511 XTBWATHFJIJZKY-UHFFFAOYSA-N 379.281 -0.142 5 20 GBBD CN1CCN(C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 736863962 NSNYADWYADRXAR-ZDUSSCGKSA-N 389.420 -0.378 5 20 GBBD Cn1c(=O)c2c(ncn2CCOC(=O)c2c(N)cccc2[N+](=O)[O-])n(C)c1=O 778144422 AGDYVMHLVHCBEF-UHFFFAOYSA-N 388.340 -0.219 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 782945458 MFWHTKPSSISYOQ-NSHDSACASA-N 399.429 -0.255 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCO1 1331061787 AXARVONNWWYDQY-AWEZNQCLSA-N 379.369 -0.004 5 20 GBBD CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1333451894 VCXMGYCZGYCPGG-UHFFFAOYSA-N 388.388 -0.575 5 20 GBBD CC(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1784185732 OOCQXCLNCUIRCF-UHXUCMFUSA-N 395.416 -0.072 5 20 GBBD CC(C)(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792913935 KIHWNLKNLCINGH-LSCVPOLPSA-N 395.416 -0.072 5 20 GBBD CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793073016 ZBQBJVCLXPLAIO-VZAMPYOESA-N 395.416 -0.602 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2)c1n[nH]cc1[N+](=O)[O-] 1798008896 MVMLRVFOMAFNAD-BZBKMWRSSA-N 375.345 -0.442 5 20 GBBD CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389786 FVDCTWJXDSEIMV-NSHDSACASA-N 396.360 -0.801 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN12 267764025 NZPRXXZQKKREHI-SECBINFHSA-N 384.370 -0.236 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1O 274642066 FOPNJOOSYINXQE-STQMWFEESA-N 385.398 -0.472 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 276511565 RHIIDQYNJCCCMN-LSDHHAIUSA-N 383.426 -0.181 5 20 GBBD COc1ccc(S(=O)(=O)N2CCCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 359874790 RGHYUBPDULHCGS-UHFFFAOYSA-N 394.431 -0.497 5 20 GBBD C[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 421975855 FCQIJPHKCXIDJC-JTQLQIEISA-N 393.443 -0.235 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 426888887 KCKVELKUOOZCOB-SECBINFHSA-N 378.432 -0.240 5 20 GBBD CNC(=O)c1ccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 433423323 IUEABBLERYBINA-LLVKDONJSA-N 384.414 -0.306 5 20 GBBD C[C@H](O)CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)CO 443798675 LCPNQTBQDHHIOB-NEPJUHHUSA-N 389.430 -0.147 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465171602 FCQKCBROQIJDLV-UHFFFAOYSA-N 381.341 -0.215 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 498777235 ZWMPFGRDBUVCFN-NWDGAFQWSA-N 382.421 -0.121 5 20 GBBD CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 542662249 ONNMORABIRSDAY-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 594365884 AULVRGWZXYPVMR-NXEZZACHSA-N 399.410 -0.248 5 20 GBBD C[C@H]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CS1(=O)=O 598185623 OMBSPURNJRLEHZ-WPRPVWTQSA-N 391.427 -0.062 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(NS(N)(=O)=O)CC1 600550546 XDBXTQCRJATJFH-JTQLQIEISA-N 399.429 -0.503 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 609955108 IAZAGTLSJMUDSF-LBPRGKRZSA-N 377.357 -0.614 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 824091592 KFVDERAJMLOMQA-INIZCTEOSA-N 380.401 -0.465 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 839336659 ODWLSWJCQVJIOY-LBPRGKRZSA-N 390.400 -0.673 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCNC1=O 1325194342 SFJDDDZMVYLVNV-HNNXBMFYSA-N 389.412 -0.020 5 20 GBBD COC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591274210 RETOQVJFAWYHIJ-UHFFFAOYSA-N 390.360 -0.221 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cc[nH]n1 1793506002 ZUFQSFXRLPZNNI-BZBKMWRSSA-N 375.345 -0.442 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1837799988 NLCWDDWMVHHYNK-INIZCTEOSA-N 379.373 -0.202 5 20 GBBD CCCNC(=O)NC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11388784 ZBRVCHWIFOIWTQ-UHFFFAOYSA-N 392.324 -0.030 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 43930355 MFJSJGIPQHSFNR-NSHDSACASA-N 393.400 -0.507 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N(C)C[C@H](O)CO)c([N+](=O)[O-])c2)CC1 271247450 GPRDTMQUBSZWES-LBPRGKRZSA-N 388.446 -0.680 5 20 GBBD Cn1c(=O)ccn(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 273302140 OIZIURREXGMUBU-UHFFFAOYSA-N 396.381 -0.955 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)OC)[C@H](C)O 275714737 HJNMCKVPJDEYFH-WRWORJQWSA-N 376.343 -0.418 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H](O)C1 297157184 JCPAFEPMQOMULA-LBPRGKRZSA-N 388.402 -0.724 5 20 GBBD CCN1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 367741960 WWYAGUGZPVHXMP-CYBMUJFWSA-N 386.430 -0.290 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC[C@H](OC)C(=O)OC)cc1[N+](=O)[O-] 416488952 OLZLXJROPYHDNI-NSHDSACASA-N 376.343 -0.152 5 20 GBBD CNc1nccc(C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1[N+](=O)[O-] 570825731 WZLKDGIGOFMPRN-UHFFFAOYSA-N 390.404 0.158 5 20 GBBD COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c([N+](=O)[O-])c1 594827089 RMFHRTMHDFDKGU-GXSJLCMTSA-N 380.400 -0.306 5 20 GBBD COCCN(CC(=O)O)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 737771339 MPGHSVRZMQYWKI-UHFFFAOYSA-N 375.359 -0.276 5 20 GBBD COCC(=O)N(C)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 759447794 OUXXBTYZJMTMIW-UHFFFAOYSA-N 375.359 -0.487 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)s1 799939539 LMTGTKPLTZDPSB-VIFPVBQESA-N 396.472 -0.310 5 20 GBBD O=C(O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 852958541 NLMBZKFLKGMRNK-PSASIEDQSA-N 393.278 -0.086 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 1117833940 BZVFYOAMLBDBEO-UHFFFAOYSA-N 391.428 -0.167 5 20 GBBD Cc1nnc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C 1323717551 ZJPKOOYCIXOLBT-UHFFFAOYSA-N 387.400 -0.003 5 20 GBBD COC[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1579750278 SJKSDDXODHIHIJ-SNVBAGLBSA-N 384.374 -0.189 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1589720212 HCERXCLKJLWLQS-UHFFFAOYSA-N 388.388 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2)c1ccc([N+](=O)[O-])[nH]1 1798749132 MNJWIMAZYBBGLK-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD CC(=O)N(C)[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999077 BLNXQZQFKHMMSH-LBPRGKRZSA-N 392.416 -0.139 5 20 GBBD CC(C)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165738 YQSQJYUERXBWQB-KBPBESRZSA-N 392.416 -0.235 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 263875541 VHMLBZAQZQZCII-JTQLQIEISA-N 380.357 -0.410 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCCS(C)(=O)=O 266262573 ZOQHILIBSZGVNO-UHFFFAOYSA-N 382.416 -0.057 5 20 GBBD C[C@H](O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272961590 HRHODJPJTQMXKX-LOWVWBTDSA-N 387.414 -0.394 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 298206451 LJVXYYJTYONNQG-GWCFXTLKSA-N 392.368 -0.397 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCOc1ccccc1[N+](=O)[O-])C2 372747272 DQXQJALGXRMBEF-UHFFFAOYSA-N 390.400 -0.064 5 20 GBBD CO[C@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 427758181 KKNFLABOPFBKIK-LLVKDONJSA-N 375.359 -0.521 5 20 GBBD Cn1[nH]c(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc1=O 497749574 DVLBGXLCPOUIQZ-UHFFFAOYSA-N 382.402 -0.477 5 20 GBBD Cc1nc(CN2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)n[nH]1 545347127 LJOJHHHJNGZEMM-UHFFFAOYSA-N 381.418 -0.009 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 569237896 MROVWVANIUNSOP-WOPDTQHZSA-N 379.421 -0.402 5 20 GBBD Cn1ccc(NCCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 578363509 NXFCPKJLHCXQQF-UHFFFAOYSA-N 396.429 0.225 5 20 GBBD CS(=O)(=O)NCCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 583045412 MDHQXCNZFPRGDR-UHFFFAOYSA-N 384.414 -0.182 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(N)(=O)=O 781961053 MNMDONKYKABDLC-NSHDSACASA-N 399.429 -0.963 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 823146214 VKMBJZQKCYYDBU-UHFFFAOYSA-N 387.360 -0.903 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NN1CCS(=O)(=O)CC1 862736162 BPVMJGGFWGVVGW-UHFFFAOYSA-N 385.402 -0.844 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cnccc3-c3nn[nH]n3)CC2)n1 1592577212 XXLDWXWGVLOGQI-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1593465830 HCIRVXLSLWAQOU-ZDUSSCGKSA-N 381.374 -0.436 5 20 GBBD C/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839812835 XEINGCGOARXDGD-YATRRXNKSA-N 393.400 -0.176 5 20 GBBD O=C1NC(=O)[C@H](CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)N1 1840965067 MDDCZKILQRNIIL-VIFPVBQESA-N 391.340 -0.397 5 20 GBBD C[C@@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1846381359 MCESYOSPIDLXJY-HNNXBMFYSA-N 395.372 -0.249 5 20 GBBD COC[C@H](C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 23561238 NFGKAONAMQKERH-JTQLQIEISA-N 396.356 -0.272 5 20 GBBD NC(=O)NC(=O)CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 65949354 ZMKLLPHIIYQRFS-UHFFFAOYSA-N 399.429 -0.124 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 274947980 SAVKGABFHIVOQE-LLVKDONJSA-N 378.384 -0.445 5 20 GBBD O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 299604924 MDKZHKJYODLUIS-HIFRSBDPSA-N 383.426 -0.249 5 20 GBBD CCn1cc(S(=O)(=O)N2CCc3c(nnn3CCOC)C2)c([N+](=O)[O-])n1 432257177 FXFVRQYPGUTTNJ-UHFFFAOYSA-N 385.406 -0.204 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 443472770 JCHGRGRZHAPPKG-UHFFFAOYSA-N 378.432 -0.494 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 469121621 YUVIVKJAVQXGOB-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD CCn1ncnc1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 474375245 ROHYKUYLFUFGIC-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD COC(=O)c1cn(CCNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nn1 585751047 WWNGUQIQCJBEHT-SNVBAGLBSA-N 390.356 -0.092 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 604436465 YMEWCJRBIRFGHX-UHFFFAOYSA-N 385.398 -0.071 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1=O 733563757 CACAJQFFNSJOFQ-UHFFFAOYSA-N 390.308 -0.552 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 821592359 BUIFTSLKDMDURD-SECBINFHSA-N 395.401 -0.486 5 20 GBBD C[C@H](CS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 827564103 VQIPEHQEPVXXFG-SECBINFHSA-N 395.415 -0.487 5 20 GBBD NC(=O)[C@@H]1C[C@@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)CN1C(=O)c1ccccc1 845823511 IZOKMKXVLJOLDB-NEPJUHHUSA-N 388.340 -0.502 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 1325224808 OAEGPKODRPWEFR-AWEZNQCLSA-N 376.369 -0.547 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C 1328797306 QOEUDGYCYVCQBQ-CQSZACIVSA-N 379.417 -0.418 5 20 GBBD O=C1COC[C@]2(CNc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])COCCN12 1593400778 SGZKBVWHSHHBQV-AWEZNQCLSA-N 376.333 -0.790 5 20 GBBD O=C(c1cccnn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380382 KDLIDCMJEXFKHY-INIZCTEOSA-N 387.356 -0.135 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413694 DAXHASPERYIGNH-APPDUMDISA-N 393.400 -0.122 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1F)C2 1794005253 QTPONFDMDWWURB-COPWDGIASA-N 381.364 -0.261 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 1800661271 LHUKPPFBPFLRTR-OXIQGZBJSA-N 377.401 -0.162 5 20 GBBD CNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 23225052 KPRMZXOUQMYGCH-QMMMGPOBSA-N 380.313 -0.293 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1=O 25246940 JRSFVRRMOFYSLR-SNVBAGLBSA-N 386.320 -0.488 5 20 GBBD Cc1ccc(NCCCNC(=O)C(=O)NCCN2CCNCC2)c([N+](=O)[O-])c1 419452273 GICNGJRIJQVVJE-UHFFFAOYSA-N 392.460 -0.157 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCNC(=O)C1 421993950 SFOKBUFXURJWIU-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD CN(C)C[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 504882314 NKMDSOFYXFWPBN-HNNXBMFYSA-N 388.446 -0.308 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 532751707 XUSRJFMLDBQNDU-CYBMUJFWSA-N 399.429 -0.456 5 20 GBBD Cn1nccc1[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)O 592469130 IBSIXKVFUOKQFK-OAHLLOKOSA-N 389.324 -0.004 5 20 GBBD CCN1C[C@@H](CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1=O 593933545 DRNYJWBQXCNTEQ-GFCCVEGCSA-N 392.416 -0.061 5 20 GBBD CNS(=O)(=O)CCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 600665993 WGBQRRAJZCZMFI-UHFFFAOYSA-N 390.443 -0.159 5 20 GBBD COc1ccnc(NNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n1 737159660 NRSMAMGPFODOPL-UHFFFAOYSA-N 393.345 -0.121 5 20 GBBD O=C(NS(=O)(=O)N1CCOCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 747747706 SKHUDFAOTOGLKP-UHFFFAOYSA-N 382.358 -0.518 5 20 GBBD CN1C(=O)CO[C@H](C(=O)OCCn2cnc([N+](=O)[O-])n2)[C@H]1c1cccnc1 850876960 XSXKVURIJSEXMT-OLZOCXBDSA-N 376.329 -0.277 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 1261770590 WYJPKNJCULNHPL-GFCCVEGCSA-N 378.389 -0.308 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1603830246 HFIBSXLOKZLMQA-MRVPVSSYSA-N 381.374 -0.374 5 20 GBBD Nc1cc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] 1606451440 RPRLFHPVXLVNDT-CQSZACIVSA-N 395.401 -0.249 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1779380739 ABCPGUDPHKZLMJ-MEDUHNTESA-N 376.373 -0.711 5 20 GBBD CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795722012 KWDKVBGSILLVDS-LMWOUKEDSA-N 394.432 -0.621 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1799829252 YPIRNXKESRSQJE-WDAIWFPHSA-N 395.368 -0.877 5 20 GBBD C[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801359012 UUKTUOGOZHUEIU-FVCCEPFGSA-N 378.385 -0.225 5 20 GBBD COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835230629 JLGOJVLIYMVBIF-INIZCTEOSA-N 397.388 -0.576 5 20 GBBD O=C(Cn1ccncc1=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843390314 LPWPTRZAKMCSEV-UHFFFAOYSA-N 387.356 -0.608 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844410815 SVJWUPJDUHRMSF-SNVBAGLBSA-N 399.429 -0.184 5 20 GBBD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 266561589 XZGOQAFBWVQZCR-UKRRQHHQSA-N 397.432 -0.114 5 20 GBBD CCN(CCO)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272966464 IMLNZFXWICEAQP-AAEUAGOBSA-N 387.414 -0.441 5 20 GBBD O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 277322048 UMVUKWWSURYCRG-JTQLQIEISA-N 375.315 -0.725 5 20 GBBD C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1 297377165 VKJGUKZLYUPVJG-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 369763088 LOSUVCHSTXEPIV-CYBMUJFWSA-N 378.385 -0.037 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C[C@@H]1CO 369948282 LTKDTVGNGCXCFE-MNOVXSKESA-N 388.402 -0.990 5 20 GBBD CC(=O)N1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 472486727 MEDZJMVPZWPOGC-LBPRGKRZSA-N 399.429 -0.207 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 524001596 ZTPAIEKATRMXKM-CYBMUJFWSA-N 392.368 -0.316 5 20 GBBD CN(C)CCOCCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 561639437 IYDQEGHWSWDKOR-UHFFFAOYSA-N 382.421 -0.351 5 20 GBBD CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1=O 568786116 PUOKNXNGVSAQHB-VIFPVBQESA-N 384.370 -0.492 5 20 GBBD CCN1C(=O)[C@H]2CN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CCN2C1=O 596159125 LQNYBWYXZUHGNK-LLVKDONJSA-N 383.386 -0.285 5 20 GBBD CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 600049426 VWWKUUMHTTVHGV-UHFFFAOYSA-N 391.384 -0.270 5 20 GBBD COc1cccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1[N+](=O)[O-] 769607246 YIDTYFUSYRFVRD-UHFFFAOYSA-N 392.324 -0.377 5 20 GBBD COC[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)O 790616534 OKSHCSKSXGGBOO-VIFPVBQESA-N 389.342 -0.071 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCCN1C(=O)CCC1=O 920709147 WALZMBMBFIJHSM-UHFFFAOYSA-N 399.381 -0.045 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1341456653 SMPHAJJBZWISRA-UHFFFAOYSA-N 386.368 -0.170 5 20 GBBD N=C(N)SCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011187 YGRZLKFAMMERDI-AKZRSSKFSA-N 397.417 -0.852 5 20 GBBD CC[C@H](O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841282803 HDTFOBOUKNELOG-ZDUSSCGKSA-N 378.385 -0.269 5 20 GBBD CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11388663 VHGICFJWPQSCAW-MRVPVSSYSA-N 392.324 -0.032 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 266842306 MZCRUOVLFAZFAE-UHFFFAOYSA-N 392.459 -0.502 5 20 GBBD CNS(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)co1 271723210 YCATTXVLTNPCOE-OCCSQVGLSA-N 399.381 -0.080 5 20 GBBD CNS(=O)(=O)CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 275953533 ZRADGUOGJXUBOR-UHFFFAOYSA-N 395.397 -0.272 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 298302135 INJRYIUXZCKVDG-SFHVURJKSA-N 389.412 -0.033 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@@H](O)C[C@@H]1CO 372654360 PZILVTBABUOCGT-ZJUUUORDSA-N 381.341 -0.351 5 20 GBBD O=C(NC1[C@H]2CNC[C@H]12)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 418682423 ZUWZISMTGIOTQD-KBPBESRZSA-N 395.441 -0.172 5 20 GBBD O=C(N[C@H]1CCNC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419881125 LDBSBGPQIFUIHX-ZDUSSCGKSA-N 375.385 -0.643 5 20 GBBD O=C(NC[C@H]1CCCN1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419894964 ODCJNGGEXRTDSB-CQSZACIVSA-N 389.412 -0.253 5 20 GBBD Cn1cc([C@H](CO)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 481785741 XPFZYUHAKVSRJC-LBPRGKRZSA-N 375.341 -0.097 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 489484630 RGPGTXHPUXKTHE-NXEZZACHSA-N 379.377 -0.410 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 495627313 XGVYIZVIUDTWAZ-UHFFFAOYSA-N 397.819 -0.132 5 20 GBBD CN1CCN(C(=O)C2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 499668474 KCUXDVZIGWPRNH-UHFFFAOYSA-N 391.428 -0.231 5 20 GBBD Cc1cc(S(=O)(=O)NCCNC(=O)Cn2cnc([N+](=O)[O-])n2)c(C)s1 532523242 KMQGLVLSHGWOGZ-UHFFFAOYSA-N 388.431 -0.041 5 20 GBBD CCc1[nH]nc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1[N+](=O)[O-] 558881434 LGALHJXGDVTFDS-UHFFFAOYSA-N 392.372 -0.686 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 592908664 PJVHCRBCHPFFIG-NXEZZACHSA-N 391.336 -0.427 5 20 GBBD CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593562534 FUHRAOQSQSMUIE-MWLCHTKSSA-N 378.432 -0.014 5 20 GBBD COc1cc(CCNC(=O)C(=O)N2CCN(C)C(=O)C2)c([N+](=O)[O-])cc1OC 593926826 QCJSHDRUDYQXMC-UHFFFAOYSA-N 394.384 -0.429 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 619873102 CHDJRMOANXOGLI-LLVKDONJSA-N 399.429 -0.679 5 20 GBBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 785213555 ZWZRFVZXEBIINL-SNVBAGLBSA-N 381.732 -0.051 5 20 GBBD O=C(CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1)N1CCCC1 822996761 IORVLSNIKYJLAJ-UHFFFAOYSA-N 387.404 -0.086 5 20 GBBD COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1118747321 CKHALRNLICPUFN-HAQNSBGRSA-N 391.384 -0.294 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1)C(=O)OC 1777104618 LUYKTTCVCBGRIA-VIFPVBQESA-N 390.326 -0.324 5 20 GBBD Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)cc1[N+](=O)[O-] 1845205112 RCNKECDWBFIUOI-AWEZNQCLSA-N 375.429 -0.065 5 20 GBBD CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 27053090 ZJJULRZZRSRVEF-SNVBAGLBSA-N 380.357 -0.343 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 265454702 LQWCGSBLNZBSKQ-CQSZACIVSA-N 394.432 -0.461 5 20 GBBD O=C(Nn1cn[nH]c1=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 272846413 JMXXLDPGNFTZIC-NSHDSACASA-N 382.358 -0.597 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNS(=O)(=O)CC 281771374 XZPRPPWCVYAENT-UHFFFAOYSA-N 388.402 -0.013 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 283476453 HDGYMXFRGDHGPP-UHFFFAOYSA-N 392.459 -0.018 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c([N+](=O)[O-])n1 539221677 NCVIZTIGKREVBD-ZJUUUORDSA-N 375.407 -0.275 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1ccc(OCC(N)=O)cc1 766966784 FRKAWDKVEADWNG-UHFFFAOYSA-N 391.340 -0.334 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN([C@@H]3CCC(=O)NC3=O)CC2)c([N+](=O)[O-])c1 799106029 SXGSYSPILUETNM-CYBMUJFWSA-N 396.425 -0.075 5 20 GBBD CCNC(=O)CC(=O)NCCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1590743610 UETPWBPEVYPZAX-UHFFFAOYSA-N 376.377 -0.147 5 20 GBBD CCC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218970 PBVRIYVNUPHZMG-WHOFXGATSA-N 393.400 -0.250 5 20 GBBD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)=NN1 1792355718 DEWQQPMSUHDRDM-ICCCGROCSA-N 391.340 -0.733 5 20 GBBD C[C@H](C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)n1cnnn1 1842000851 VHXAEAAADJHPHN-LLVKDONJSA-N 389.376 -0.758 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293308 BSTJSZRFYYRKON-OAHLLOKOSA-N 394.384 -0.345 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 264714295 UBBBRXFHXYCZKQ-UHFFFAOYSA-N 381.297 -0.323 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H](O)CN1CCOCC1 267750249 WVBIPANCJALMNC-XJKSGUPXSA-N 394.428 -0.135 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCSC[C@H]1C(N)=O 273530338 KJCRCBUJRSLREE-JTQLQIEISA-N 389.411 -0.027 5 20 GBBD COCCNC(=O)CN1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 276645790 YIIGFQBQEQSOPW-UHFFFAOYSA-N 381.389 -0.339 5 20 GBBD CNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 289038770 BKKGRFUAVJWCOA-UHFFFAOYSA-N 387.418 -0.376 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN1CCOCC1 298289704 BWNBDPXDSJPOQD-IUODEOHRSA-N 380.401 -0.478 5 20 GBBD CN(CC(=O)N[C@@H]1CCC[C@@H]1C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 421677715 WOPAZZFZZNQHFN-QWHCGFSZSA-N 384.414 -0.015 5 20 GBBD COCCCS(=O)(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 431127607 KTMJNDFCCPPMQW-CQSZACIVSA-N 391.450 -0.864 5 20 GBBD COc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] 471316409 XPMGSXAFIORYEH-KGLIPLIRSA-N 399.425 -0.481 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 494755757 DPTSSEFKZZZRJK-NSHDSACASA-N 384.414 -0.096 5 20 GBBD C[C@@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1 542602320 ZAOLCFNMDQSMME-GHMZBOCLSA-N 384.414 -0.096 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 542756691 WKKXNHHDFRFGIT-LBPRGKRZSA-N 392.459 -0.070 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CCNC2)CC1 584171039 YZBBPTTXNDYNPO-CQSZACIVSA-N 389.412 -0.174 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598609463 YCDHKCKXAUTIBC-LLVKDONJSA-N 386.434 -0.085 5 20 GBBD COc1cc(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] 759786235 IMBXURQOVWJBTR-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD CNC(=O)NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769670283 UCTFVUTWUFNVOG-UHFFFAOYSA-N 378.297 -0.139 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 800631625 UTOXZCUGSQOJKS-SNVBAGLBSA-N 379.304 -0.257 5 20 GBBD C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)N1CCOCC1 824428102 PUPXYFZGXZRZEG-JTQLQIEISA-N 397.417 -0.226 5 20 GBBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)CN(C)C(=O)COC 838933511 JOJNOVGSQCPNEO-UHFFFAOYSA-N 388.402 -0.064 5 20 GBBD CN(CC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1116163356 BADVNUFAJPNAQG-NSHDSACASA-N 385.398 -0.123 5 20 GBBD C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603696221 POZCKZYMQLVEPJ-MWLCHTKSSA-N 398.401 -0.065 5 20 GBBD NC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1780231940 FKHZCGPZQULRSN-XTQGRXLLSA-N 394.432 -0.664 5 20 GBBD CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)COC1 1792622707 HKPPNYNKKSZGJC-PEGIJTEDSA-N 379.373 -0.442 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011157 UPYKKDXYZKNQRQ-BZBKMWRSSA-N 375.345 -0.442 5 20 GBBD C/C(=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)O 1798012023 MIBSDMYBGKDYED-FYPKTMPCSA-N 393.356 -0.448 5 20 GBBD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([N+](=O)[O-])o2)N1 1847167938 BWOJQBVQUWWEDZ-GUBZILKMSA-N 391.340 -0.399 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 267260423 WMCYSXIJANCTAH-HUUCEWRRSA-N 399.425 -0.724 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 281279350 XAFZXWDVJYXUMD-UHFFFAOYSA-N 378.432 -0.198 5 20 GBBD C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 298527809 AHBLQCAXGPUVIW-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD C[C@]1(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC(=O)N1 455638573 UXPWAHCXDBNOSH-OAHLLOKOSA-N 399.429 -0.159 5 20 GBBD CN1CCN(C(=O)c2ccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 482640654 ZISOCWBLMNAECF-UHFFFAOYSA-N 387.400 -0.110 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 574522644 BXWSOCLBVGMQOS-GFCCVEGCSA-N 384.414 -0.135 5 20 GBBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CCNCC2)C1 580430083 WBZCLEAURWJLDS-UHFFFAOYSA-N 382.442 -0.027 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 592929420 OFWLFFIOAMUQEM-VHSXEESVSA-N 386.382 -0.006 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615488737 BZUBYYIWUKZXKF-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD CO[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 615925254 HJPHFWCWXOVMPF-AWEZNQCLSA-N 388.402 -0.125 5 20 GBBD CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)Cn1ccc([N+](=O)[O-])n1 744798818 HASKDERHUTXWJI-UHFFFAOYSA-N 380.317 -0.117 5 20 GBBD CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783144859 WURAWXGIUCTCDK-INIZCTEOSA-N 379.373 -0.498 5 20 GBBD Cn1cc(S(=O)(=O)NCC(=O)NCCNc2ccccc2[N+](=O)[O-])cn1 47060707 TVUWCPLEIKGHSA-UHFFFAOYSA-N 382.402 -0.165 5 20 GBBD Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)n1 269023745 QDRNRNUDEREURM-UHFFFAOYSA-N 384.462 -0.088 5 20 GBBD O=C(O)[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCS1(=O)=O 424363983 COFSGSWJBOUHQG-LBPRGKRZSA-N 392.411 -0.349 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H](O)C(F)F 489401333 WJEYNOPJRWCNJG-SNVBAGLBSA-N 382.345 -0.202 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cnc[nH]2)c1 522982712 AXCLKABQPDWSQT-UHFFFAOYSA-N 375.388 -0.425 5 20 GBBD C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 555559112 HIFHJQJQHOBZJI-NSHDSACASA-N 385.446 -0.392 5 20 GBBD COCC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 582095484 SSKRXSRUPCFISN-GFCCVEGCSA-N 389.386 -0.131 5 20 GBBD C[C@@H](CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC(N)=O 594373688 RMRALRAHTKITOR-JTQLQIEISA-N 387.418 -0.222 5 20 GBBD COc1ccc(NC(=O)C(=O)NC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] 595124439 CVBFCPXESJRFAO-MRXNPFEDSA-N 383.357 -0.174 5 20 GBBD CCC1(O)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 597630709 CXYVEMXSOUPCKI-YPMHNXCESA-N 399.425 -0.298 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@]1(OCCO)CCOC1 597992276 BRBIBUXLSVLZLD-QGZVFWFLSA-N 393.352 -0.525 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598905191 CHGGTSZQCRJTSO-LLVKDONJSA-N 385.402 -0.134 5 20 GBBD NC(=O)C1(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCOCC1 610911886 ATRIMGBJUFSOOF-UHFFFAOYSA-N 376.325 -0.659 5 20 GBBD COCCCNC(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 801440606 SDVDBWVYSLCGRG-SECBINFHSA-N 389.386 -0.060 5 20 GBBD CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824214323 FOEXYTNPNXKTOQ-GFCCVEGCSA-N 395.401 -0.080 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 1321470916 LBQBSWJKDXWZTA-HNNXBMFYSA-N 394.432 -0.333 5 20 GBBD COC(=O)N1CC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1323803065 UEXOTXSKPOINPI-UHFFFAOYSA-N 392.372 -0.795 5 20 GBBD C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)n1cnc(-c2nn[nH]n2)n1 1609068682 LYCNPQCQNHAMHU-VIFPVBQESA-N 387.364 -0.012 5 20 GBBD CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419361 LFDMGMBDLRFPFO-QGZVFWFLSA-N 393.400 -0.107 5 20 GBBD COc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CN)CCO3)C2)ccc1[N+](=O)[O-] 1781191731 NMVIXKKAPYPDDP-GOSISDBHSA-N 392.412 -0.066 5 20 GBBD CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786480429 NYGWLCSHKDUTTO-GVXVVHGQSA-N 380.405 -0.527 5 20 GBBD CS(=O)(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 10044492 NDEKLFKAHFPHHS-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD C[C@@H]1C(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265336540 QOJGKIPPCPQMAI-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])cnc1O 266423903 GWQXHIMZVNBWDV-LLVKDONJSA-N 379.373 -0.642 5 20 GBBD CN(CC(=O)N[C@H](CO)c1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 272308540 HWYMRDPSFSVYMQ-CQSZACIVSA-N 397.413 -0.201 5 20 GBBD O=C(NC[C@@H](O)C1CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272772151 HLAYKIJTQIIPFB-KWCYVHTRSA-N 399.425 -0.394 5 20 GBBD O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 274351125 DDYOVKOHFNVLJG-UHFFFAOYSA-N 384.349 -0.001 5 20 GBBD NC(=O)[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 280670930 UEFLHYIYYUADLN-NWDGAFQWSA-N 386.386 -0.978 5 20 GBBD CN(CC(=O)NC1CC1)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299628834 KSDCMDQKSKNVEC-UHFFFAOYSA-N 399.429 -0.219 5 20 GBBD NC[C@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 364304581 MAXAWUTYMPAFED-ZFWWWQNUSA-N 398.441 -0.066 5 20 GBBD CCN1C[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 456174125 VCDMWOLJMHZSAP-JTQLQIEISA-N 399.429 -0.219 5 20 GBBD NC(=O)c1ccc(SCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 490860781 UAMSLBTWZTVIHF-SNVBAGLBSA-N 393.381 -0.452 5 20 GBBD COCCN(CC(=O)N(C)C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 498415397 WWMBMZLKFSCQRN-UHFFFAOYSA-N 392.368 -0.246 5 20 GBBD C[C@@H](CNC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)S(C)(=O)=O 564238102 HRFVHYIBZUDLOW-QMMMGPOBSA-N 383.386 -0.363 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 572029708 ZCCZWTITJODFET-KGLIPLIRSA-N 391.450 -0.770 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O 580346073 KEFLCNAXWCYRHV-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 597552379 JSEIWKLLSRUILX-HFAKWTLXSA-N 396.425 -0.015 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 598029240 QUNKNPIGFTYKTO-VXGBXAGGSA-N 397.365 -0.881 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N1 599525550 JWPUOYKHWQQBRA-GHMZBOCLSA-N 384.414 -0.096 5 20 GBBD COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C 600018652 PGUCDBANFJCLEB-PSASIEDQSA-N 385.402 -0.089 5 20 GBBD CN(CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)C1CC1 609582358 GCRHSWZIIBHMTG-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD CC(C)(C)OC(=O)N1CC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)(C(N)=O)C1 763827325 JNLGUUHTYFPGNB-UHFFFAOYSA-N 395.372 -0.653 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NN2CC(=O)N(C)C2=O)cc1[N+](=O)[O-] 778063941 XMBBBCMKEDQKLL-UHFFFAOYSA-N 387.330 -0.140 5 20 GBBD CC(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403729 RFYICLTXMKYZJC-LSCVPOLPSA-N 381.389 -0.462 5 20 GBBD COC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1802697856 YUVAYMCHAIVABA-ZSBIGDGJSA-N 394.388 -0.215 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 263665740 JPAOILOBYRDTJG-CYBMUJFWSA-N 399.473 -0.375 5 20 GBBD O=C1CCC(=O)N1CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 265008765 FFLONEAKHAEADY-UHFFFAOYSA-N 385.354 -0.207 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1[N+](=O)[O-] 272999992 XNRNDFMKUNOFRH-LBPRGKRZSA-N 380.357 -0.095 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 273984537 ICBXFCZDCHTCMW-LLVKDONJSA-N 387.326 -0.085 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 275170849 VKGJVBDOILWZKO-JTQLQIEISA-N 378.384 -0.143 5 20 GBBD C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)CO 297604938 AXENVRWRXHKJDQ-ZIAGYGMSSA-N 394.428 -0.166 5 20 GBBD CCC[C@@H](O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 414017162 KKCDCWXGVUNYGC-UONOGXRCSA-N 389.430 -0.099 5 20 GBBD O=C(O)Cn1cc(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nn1 439715899 GPRWXOQKXKNDFD-UHFFFAOYSA-N 390.312 -0.687 5 20 GBBD CNC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 470659194 DGVQSGQVHSZOEB-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD Cc1c(CC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cccc1[N+](=O)[O-] 567842623 UZYRYJBKQKVROE-UHFFFAOYSA-N 382.442 -0.108 5 20 GBBD O=C(CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCNCC1 591358661 UDHQGSQAOIFXJX-UHFFFAOYSA-N 377.405 -0.747 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 595242320 SNDJXPKFAVNIDX-MWLCHTKSSA-N 381.776 -0.043 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1(OCCO)CCOC1 597996920 RIXADQSNWWLTDA-SJCJKPOMSA-N 381.385 -0.003 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 600230291 RXNQOGQCLAUXHH-LBPRGKRZSA-N 389.372 -0.055 5 20 GBBD C[S@@](=O)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 730095099 URYSJGWXCNDYRM-HSZRJFAPSA-N 378.432 -0.461 5 20 GBBD NC(=O)C1=NO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 793900963 FFWPOQXXEALGQG-LLVKDONJSA-N 377.357 -0.209 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 1261722908 IVTZMYSITQDZJR-WCQYABFASA-N 385.398 -0.519 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1322705178 GSXIZENCICECKZ-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1326498207 YGPZEZCLUXBRDG-UHFFFAOYSA-N 399.473 -0.023 5 20 GBBD O=C(CCOCc1cnn[nH]1)NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1577885057 RSHMQVFYVDMYBZ-ZIAGYGMSSA-N 380.405 -0.269 5 20 GBBD COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1598733336 PMVDEZQQTGAHMG-MHWZDGSBSA-N 379.325 -0.380 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1799829195 YGMATDAVHZPKQS-CULMDFNYSA-N 378.385 -0.229 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN1C(=O)CN(C)C1=O 19112623 RWXRFVBHABLZLE-UHFFFAOYSA-N 380.313 -0.021 5 20 GBBD CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 29960546 CTZGSOBVSCDSTI-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 265364704 YOJDUMNOHJYYTK-SECBINFHSA-N 396.381 -0.659 5 20 GBBD CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 265508960 OUNWTGGCGWUOOS-UHFFFAOYSA-N 378.432 -0.245 5 20 GBBD O=C(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 267457996 KHXKWBAWMHIJGR-SNVBAGLBSA-N 381.776 -0.171 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)cn1C 268816331 IKMONAOUHYMJSO-UHFFFAOYSA-N 382.406 -0.480 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N(C)C[C@H](O)CO)cc2[N+](=O)[O-])CC1 273814983 JPEQJSHKBHUFOU-AWEZNQCLSA-N 380.401 -0.312 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 275183309 WXWXCLZOEBOEKT-GFCCVEGCSA-N 392.411 -0.002 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 363294866 SNVPUJHYKAETKD-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 369429199 VGRSUXJQGWKRJA-GFCCVEGCSA-N 387.418 -0.556 5 20 GBBD CC1(C)CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@H](CO)O1 422124402 VHBRLJGRTBXIQH-CYBMUJFWSA-N 395.416 -0.047 5 20 GBBD CN(CCC(=O)O)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 422939252 LOJJJJJHUFFIPW-UHFFFAOYSA-N 392.368 -0.188 5 20 GBBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 436879719 HNFVVFVRIDZDPZ-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])nn1C 481886967 BZLJTZYIHWRKLO-UHFFFAOYSA-N 397.413 -0.129 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCC(O)(C(=O)O)CC1 486283868 MRWUHRUXFDOQCP-UHFFFAOYSA-N 379.325 -0.242 5 20 GBBD C[C@@H]1COCCN1CCNC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502841847 IVYROSILNUVLNF-LLVKDONJSA-N 390.400 -0.076 5 20 GBBD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccnc(NC)c1[N+](=O)[O-] 568659659 GOLCGLBVABZWGF-JTQLQIEISA-N 399.429 -0.203 5 20 GBBD C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)NCCN(C)C 579635808 ISTPSVINFKOOAG-JTQLQIEISA-N 397.457 -0.032 5 20 GBBD O=C(C(=O)N1CC[C@@H]2CCN[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 591582405 HEVINRBVLLXTHJ-KBPBESRZSA-N 388.428 -0.151 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 600230534 XQSOAMYFLAEDKE-CYBMUJFWSA-N 379.373 -0.519 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 619876665 UXIODMVHTYPXIQ-GFCCVEGCSA-N 381.341 -0.179 5 20 GBBD CN1CC[C@H](OC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 734887921 OXNXANDBFWAWHF-LBPRGKRZSA-N 386.386 -0.182 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 774929646 OMPYBBJMLKRJLD-UHFFFAOYSA-N 394.369 -0.363 5 20 GBBD CN(CC(=O)NC[C@H](O)C(N)=O)c1cc(Br)ccc1[N+](=O)[O-] 834572894 FRMHBUOXOIXBJI-JTQLQIEISA-N 375.179 -0.244 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 862840657 MUZPMHMIGNHPJO-UHFFFAOYSA-N 384.414 -0.195 5 20 GBBD O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 1593319518 LWKNRNGJPOHXME-LSCVPOLPSA-N 386.372 -0.610 5 20 GBBD O=C(O)CN1CCC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 1595087438 UWOFJIIZEVTBPG-CYBMUJFWSA-N 391.384 -0.038 5 20 GBBD O=C(Cn1ccnn1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415619 KWWHKBLDXGWSEC-MRXNPFEDSA-N 389.372 -0.342 5 20 GBBD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793105247 CGDDXJZAZLEPTM-QVOFMSMSSA-N 393.400 -0.923 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)c1ccc([N+](=O)[O-])[nH]1 1798749460 QKTXWFOYMWVHIW-QHBPRCKVSA-N 382.373 -0.865 5 20 GBBD CCN(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800163844 RWHAYQHPPSKLCX-FMSGJZPZSA-N 394.432 -0.139 5 20 GBBD COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389729 ZMZOYQMKQZZWPI-NSHDSACASA-N 394.388 -0.714 5 20 GBBD O=C(CC(=O)NCC1CC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 427812776 PAZDOPRJKJQRDU-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1O 487661367 DBCUDYQRGLWTLQ-GHMZBOCLSA-N 384.393 -0.969 5 20 GBBD COCCn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])cc(C)c2=O)c(O)nc1=O 489093172 AADMQEMJFPFLAJ-UHFFFAOYSA-N 379.329 -0.561 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CCC(=O)NC1=O 492573394 PREMDJNFPHSTDJ-BDAKNGLRSA-N 398.397 -0.039 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)c1cc[nH]n1 509385279 CMCQREDCRZADAL-UHFFFAOYSA-N 386.324 -0.540 5 20 GBBD Cn1nnc2c1CC[C@@H](NC(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 594138874 VQIFADSHTASYBY-SECBINFHSA-N 384.352 -0.007 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3C[C@H](C(=O)O)CC3=O)C2)n1 600653936 QQHHBQUKJROBBW-RKDXNWHRSA-N 387.374 -0.976 5 20 GBBD O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NC(=O)NCc1ccco1 748919899 FPTDMCJGJGNHSS-UHFFFAOYSA-N 378.297 -0.081 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1326263104 DOBOVNFGHGUKGX-GXTWGEPZSA-N 377.353 -0.181 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591022584 AEMUDVYIKYRELB-UHFFFAOYSA-N 382.406 -0.297 5 20 GBBD COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591452759 ROXABUPXBRNZJX-DTWKUNHWSA-N 384.374 -0.455 5 20 GBBD CS(=O)(=O)CCC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843391080 SFWFVZAASTWVCF-UHFFFAOYSA-N 385.402 -0.430 5 20 GBBD C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 51424260 NGKOTPHZHPJUPO-QWHCGFSZSA-N 397.457 -0.196 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 274003594 JYQDAOOPMSSHII-CYBMUJFWSA-N 385.398 -0.170 5 20 GBBD Cc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] 299703643 YRPBJVTYXZMKRZ-HUUCEWRRSA-N 383.426 -0.181 5 20 GBBD O=C(c1cnn(C[C@H](O)CO)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 597264008 JJIQKDSVTKBNJX-JSGCOSHPSA-N 376.373 -0.134 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 600230285 RVWDYMKGFYAQME-RYUDHWBXSA-N 397.436 -0.016 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 609955312 TYBMBBHNCPMWMW-CYBMUJFWSA-N 391.384 -0.305 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1(C(N)=O)CCOCC1 612129880 HOCKBMOIFMTBBN-UHFFFAOYSA-N 387.370 -0.306 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 619471577 KQVUUMZTTMCCRC-VIFPVBQESA-N 394.383 -0.524 5 20 GBBD Cn1c(=O)ccn(CC(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c1=O 744148072 IDORFVOCOPXYOJ-UHFFFAOYSA-N 391.340 -0.791 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCN1CCCS1(=O)=O 773112265 YCBNWPSDPOJXOA-UHFFFAOYSA-N 399.381 -0.101 5 20 GBBD O=C1CC[C@@H](OC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 798607166 RGSGANABOSKPJS-LLVKDONJSA-N 385.354 -0.388 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851327956 QQJCJMNMYMPJBX-UHFFFAOYSA-N 378.388 -0.780 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])CC1 1591023037 JKXKPGLAVPPHIE-UHFFFAOYSA-N 388.435 -0.235 5 20 GBBD CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])COC1 1798008600 AUHOVZQOSUAHQL-PEGIJTEDSA-N 379.373 -0.442 5 20 GBBD CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCS(=O)(=O)C1 23011815 BUDCGWSFQNEMNY-SECBINFHSA-N 381.366 -0.164 5 20 GBBD COC[C@H](C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 265447226 WCKVTOZUBRDLDW-JTQLQIEISA-N 381.432 -0.173 5 20 GBBD CCS(=O)(=O)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265567391 UDRGLMNTQAJPIA-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 271701844 HPEMQKOGCFKEPY-JTQLQIEISA-N 378.432 -0.211 5 20 GBBD CN(C)C(=O)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 275458145 MRNIMYBENHTIEF-UHFFFAOYSA-N 391.384 -0.916 5 20 GBBD CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O 298351147 ORINAVNCBZSXPJ-GFCCVEGCSA-N 396.425 -0.094 5 20 GBBD CCC(CC)(NC(=O)C1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1)C(N)=O 561417991 OMZYFMDNLPHAAH-UHFFFAOYSA-N 380.405 -0.282 5 20 GBBD O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 578997501 GWTCCOKJJGYPPP-XSXPHNMFSA-N 375.385 -0.451 5 20 GBBD CCOC(=O)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCOCC1 599267173 SKGOMWFVGGWRKW-LLVKDONJSA-N 376.391 -0.035 5 20 GBBD O=C(Cn1cccnc1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609736539 IYGAQUYWSYZBCW-UHFFFAOYSA-N 381.370 -0.754 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)OC 619474990 ZYAVQPYYXVJIIA-QMMMGPOBSA-N 376.343 -0.014 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)Cc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O 745335266 NYSPYVNGGSUSDZ-UHFFFAOYSA-N 376.325 -0.457 5 20 GBBD CCS(=O)(=O)N1CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 748098721 HUFOBYLTBWXSHJ-UHFFFAOYSA-N 398.397 -0.003 5 20 GBBD CCN(CC)S(=O)(=O)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893117 OCOQNMRUPBBSNG-UHFFFAOYSA-N 380.404 -0.534 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783483158 LRGQLTGESQZZBR-WMLDXEAASA-N 393.400 -0.200 5 20 GBBD O=C(Cn1nccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794276362 ABHYYGVHFGRTQZ-CLLJXQQHSA-N 388.388 -0.279 5 20 GBBD CC(=O)NCCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1846007893 XCUDTOWFNFGHDT-UHFFFAOYSA-N 378.389 -0.479 5 20 GBBD NC[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)O1 261908960 XIPFARLPRJQZIY-HIFRSBDPSA-N 398.441 -0.066 5 20 GBBD O=C([C@H]1C[C@@H](O)CN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262341046 AIPZFOVTRRDJAD-TZMCWYRMSA-N 384.414 -0.850 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297216524 VUUDZTUISXMOQB-UHFFFAOYSA-N 386.434 -0.287 5 20 GBBD CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 422094756 GABYMFXNVGMVLJ-AWEZNQCLSA-N 389.412 -0.020 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOC[C@H](O)C1 458398631 FRISWDDYVWIAMF-LLVKDONJSA-N 388.402 -0.724 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](CO)[C@@H]1CCCO1 468672595 YRLAUIQOFQQTMC-KGLIPLIRSA-N 387.414 -0.081 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2cnnc2C1 471872921 RUJAZUJCGJKBLB-UHFFFAOYSA-N 380.386 -0.103 5 20 GBBD CC(CO)(CO)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 565093737 NWBREJKSZMGURU-UHFFFAOYSA-N 375.403 -0.630 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 571244185 VIGDGHHUTZTXOP-QPUJVOFHSA-N 381.366 -0.260 5 20 GBBD COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593574337 RMLTYKGKGFWJRF-NSHDSACASA-N 388.402 -0.028 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 598026419 FDAWDIFALCBOST-TVYUQYBPSA-N 385.398 -0.359 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CCN(C)C2=O)cc1[N+](=O)[O-] 734883244 VBLLUPPTHCMXPU-GFCCVEGCSA-N 386.386 -0.311 5 20 GBBD CN(CCN1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825938358 QFRIHRSLBODWQU-UHFFFAOYSA-N 397.417 -0.272 5 20 GBBD C[S@@](=O)CCN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 853368957 DYSANIGSCLNRBK-HSZRJFAPSA-N 376.460 -0.257 5 20 GBBD C[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1322083106 OSUUQYISKNXWTL-NSHDSACASA-N 384.414 -0.142 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1326568646 SIYPOEIKKAKPBU-UHFFFAOYSA-N 387.352 -0.158 5 20 GBBD COCCNC(=O)CN1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1591431862 FQYGIAZNNDWMBJ-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN)C[C@@H]32)n1 1787749780 SNFUJSQDKFZVAD-GVXVVHGQSA-N 393.400 -0.450 5 20 GBBD CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793073014 ZBQBJVCLXPLAIO-NOXHYTERSA-N 395.416 -0.602 5 20 GBBD CC(=O)N(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999076 BLNXQZQFKHMMSH-GFCCVEGCSA-N 392.416 -0.139 5 20 GBBD O=C(CCN1CCOC1=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389927 UVNVHTSMRVLWMN-UHFFFAOYSA-N 392.372 -0.023 5 20 GBBD CNC(=O)CCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 299146423 DARUSFCOMDGANU-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD CCC[C@H](O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 414017156 KKCDCWXGVUNYGC-KBPBESRZSA-N 389.430 -0.099 5 20 GBBD C[C@H](C(=O)N(C)C)S(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 447769558 WIIYEJCELXRBCS-SNVBAGLBSA-N 393.443 -0.235 5 20 GBBD COc1cc(CCNC(=O)c2cn(CC(N)=O)nn2)c([N+](=O)[O-])cc1OC 463350430 JXYFARWFXRZXMA-UHFFFAOYSA-N 378.345 -0.339 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 494265545 QBOWGLLMPZDNTH-UHFFFAOYSA-N 396.381 -0.802 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CCCS1(=O)=O 498491758 FEDQIJNMIWZMMB-UHFFFAOYSA-N 399.429 -0.454 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CCN(c2ncccn2)CC1 499693836 CJDJGGNUYXGJTG-UHFFFAOYSA-N 387.400 -0.515 5 20 GBBD Cc1c(C(=O)NCCCN2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 522848283 ZTTFXLZSQQPRHX-UHFFFAOYSA-N 399.473 -0.082 5 20 GBBD COC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)OC 542241313 WLUVWVLINCJZOK-SNVBAGLBSA-N 376.343 -0.152 5 20 GBBD CNS(=O)(=O)Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 591723828 CINFGEMPXZUJSL-OAHLLOKOSA-N 383.430 -0.009 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCNS(=O)(=O)c2cccs2)n1 599263516 QJFJVMDOUDKMKC-UHFFFAOYSA-N 395.444 -0.353 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H](O)[C@@H]1CCOC1 609926973 BVEAMTLMYYCKIE-BXUZGUMPSA-N 387.414 -0.223 5 20 GBBD O=C(CCN1CCOCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735060278 MXLQNWUYWUGRET-UHFFFAOYSA-N 386.430 -0.288 5 20 GBBD CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1nn(CC)cc1[N+](=O)[O-] 755777779 CTGCXPGIPUGUQD-SECBINFHSA-N 389.390 -0.187 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCC2OCCCO2)c([N+](=O)[O-])c1 787965593 TYYVYWPSVAFXEZ-UHFFFAOYSA-N 388.402 -0.077 5 20 GBBD CN1CC[C@H](C(=O)NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])S1(=O)=O 850885420 FAJSMMXVACQJDN-SNVBAGLBSA-N 381.363 -0.427 5 20 GBBD O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 1593321717 FRKBBSRXHNQGRS-ZYHUDNBSSA-N 386.372 -0.466 5 20 GBBD O=C(NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 1836195211 LLUYQXSYKWEGNC-UHFFFAOYSA-N 395.416 -0.581 5 20 GBBD C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)CC1 266387121 VJHADIGRKUGLSE-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)nn1 284598534 IIWNRXZNTDEUBC-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)c(C)c([N+](=O)[O-])c1 293434295 QSVDQWSNDPJSHD-GFCCVEGCSA-N 397.340 -0.067 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 298766200 BRLHNTLTMKGBPB-UHFFFAOYSA-N 390.316 -0.526 5 20 GBBD CN(C)S(=O)(=O)N[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCC1 457855656 DEBULDQRGGRZLG-LBPRGKRZSA-N 388.450 -0.138 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCn2ncnc2C1 474041185 GHDNAQXHJBDCDI-UHFFFAOYSA-N 395.401 -0.310 5 20 GBBD Cc1cc(=O)n(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] 474388437 FEVOSJUPKDXYRW-CYBMUJFWSA-N 398.441 -0.604 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1(O)CCOCC1 478907267 GTWFRZPLXDKKBH-UHFFFAOYSA-N 387.414 -0.079 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)OC)cc([N+](=O)[O-])c1C 486451908 YIWUKEKMMVGQRJ-LBPRGKRZSA-N 390.370 -0.108 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CN(S(C)(=O)=O)C1 492556410 FOBZIYABFMPKHO-JTQLQIEISA-N 384.414 -0.279 5 20 GBBD CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O 498835774 GHQWEVXSEBQHJT-CYBMUJFWSA-N 389.412 -0.020 5 20 GBBD NC(=O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 520024586 JGAHVXUQRHGYGD-NSHDSACASA-N 399.429 -0.220 5 20 GBBD O=C(NC[C@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537390033 RUKIMTXGQMJHIK-LBPRGKRZSA-N 399.425 -0.025 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] 746127465 JOAMMINZRBRRMS-VIFPVBQESA-N 388.402 -0.065 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCC(=O)N1CCCC1=O 796273769 PQZMTTZXIUXJHV-UHFFFAOYSA-N 385.354 -0.435 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)OCCN1CCN(S(=O)(=O)C2CC2)CC1 797263439 POTMWQXRZQRJTJ-UHFFFAOYSA-N 387.418 -0.556 5 20 GBBD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851326691 BYLOKCNYIBDBOI-UWVGGRQHSA-N 396.381 -0.030 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 862042264 YGEARCOIIFVOMK-UHFFFAOYSA-N 376.778 -0.053 5 20 GBBD NC(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1581889350 HMWMHLBIPRXNRT-PHIMTYICSA-N 386.372 -0.170 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 1582660633 ZRVAHZBZYNNWLK-HUUCEWRRSA-N 399.411 -0.055 5 20 GBBD COC[C@]1(CO)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1591388321 CKVKAKCCCHJXNY-CQSZACIVSA-N 398.401 -0.206 5 20 GBBD CC[C@@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401242 GJITYGRITNINED-UJPOAAIJSA-N 394.432 -0.106 5 20 GBBD CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801038501 WDAREWBDOUCNQO-MCYUEQNJSA-N 381.389 -0.584 5 20 GBBD C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 47831669 KTYRFBSVFKDXAC-VIFPVBQESA-N 390.443 -0.122 5 20 GBBD CC[C@@H](C)[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCCN1CCOCC1 264791186 UPRSMYOVMRFNAK-CZUORRHYSA-N 396.448 -0.229 5 20 GBBD O=C1CN(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 266618089 SNYMJUGWHMUZGP-NSHDSACASA-N 397.369 -0.669 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 269013112 ASJUXODIDQPWGT-UHFFFAOYSA-N 393.404 -0.733 5 20 GBBD CC(C)(O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272834033 OQBGWNYTWARORZ-JQWIXIFHSA-N 387.414 -0.394 5 20 GBBD Cn1cc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 273374480 FUIMXARCYCQQIB-UHFFFAOYSA-N 382.398 -0.444 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 283469784 GNQBOEPKHKTWBX-UHFFFAOYSA-N 396.422 -0.059 5 20 GBBD O=[N+]([O-])c1cc2c(N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)ncnc2s1 286680325 ZKEMUTXMFHGUOI-WDEREUQCSA-N 399.454 -0.121 5 20 GBBD Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1[N+](=O)[O-] 424435805 GLTUFSLLWJACJF-NSHDSACASA-N 385.354 -0.448 5 20 GBBD O=C1NC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)CCN2C1=O 572799968 BPKSNZVIHXENON-LLVKDONJSA-N 393.375 -0.283 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)S(C)(=O)=O 588631181 LVHKCKTUNIFALJ-LLVKDONJSA-N 399.429 -0.812 5 20 GBBD Cn1cnnc1N1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598630344 IOWOTCDPSHXWTA-UHFFFAOYSA-N 375.393 -0.324 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 609812009 YBIGFZQXPXLADG-UHFFFAOYSA-N 399.429 -0.773 5 20 GBBD CN(CC(=O)NCC(=O)N1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609973674 NUANGSOAHMVIPH-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O 733564383 KAXDWDHVNQRUFH-LLVKDONJSA-N 390.308 -0.336 5 20 GBBD CN(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825845088 AYFVDIBLAMIAFY-UHFFFAOYSA-N 384.378 -0.676 5 20 GBBD NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)CC2 1814775510 RYIGMIFXWFGOSX-MRVPVSSYSA-N 379.402 -0.181 5 20 GBBD O=C(Cn1ccncc1=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844829611 MXJGIATUVICQCS-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD Cn1c(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc(=O)n(C)c1=O 10536783 MFRNCXHWTIOELO-QGZVFWFLSA-N 387.352 -0.041 5 20 GBBD COc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@H]2C(N)=O)ccc1[N+](=O)[O-] 275170812 VJSWCXIFRZVTBB-KWQFWETISA-N 387.370 -0.057 5 20 GBBD CCOC(=O)c1cc(C(=O)NCCC(=O)NS(C)(=O)=O)cc([N+](=O)[O-])c1 277439387 JEJZMRSMOKOKBN-UHFFFAOYSA-N 387.370 -0.033 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(=O)NCC(=O)O 278327234 UQBLTHDKVNITBW-UHFFFAOYSA-N 389.342 -0.749 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 298979212 NOTVCCDUBWNMKX-UHFFFAOYSA-N 393.400 -0.178 5 20 GBBD Cc1nc(S(=O)(=O)NCc2nc(-c3c([N+](=O)[O-])ncn3C)no2)cn1C 350894588 YPCPBOKLCXJOHP-UHFFFAOYSA-N 382.362 -0.101 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 369505771 AIRNZKNWOLUYSN-ZDUSSCGKSA-N 380.405 -0.851 5 20 GBBD C[C@@H](CN)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419956904 OSVAIXPAXOLREX-JTQLQIEISA-N 383.430 -0.348 5 20 GBBD O=C(O)[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCS1(=O)=O 424367566 MRCQURPYGAQAQA-LLVKDONJSA-N 378.384 -0.392 5 20 GBBD Cc1c(C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 447698843 FCYLPZHRBSXSEI-HNNXBMFYSA-N 382.398 -0.097 5 20 GBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 485901246 ZARHLYUHLIFIFP-NSHDSACASA-N 389.434 -0.159 5 20 GBBD CNc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 523374315 PRDWHPMYWHRJPL-HUUCEWRRSA-N 398.441 -0.448 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)O 548586646 ZTSPMAHQYQMAPP-WBNWAKSLSA-N 378.384 -0.190 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1O 597640813 MHZRGWRAPDCYEI-LBPRGKRZSA-N 381.341 -0.179 5 20 GBBD O=C(O)C[C@@H]1C(=O)NCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 739635506 SKDHYXWGGMSPBF-SNVBAGLBSA-N 380.313 -0.463 5 20 GBBD C[C@@H](C(=O)N[C@@]1(C(=O)O)CCOC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 825993986 BQXAKIAYZWSXNR-PWJLMRLQSA-N 377.309 -0.061 5 20 GBBD CN(CCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])n1C)S(C)(=O)=O 919025890 XLCNYPVCWOITCY-UHFFFAOYSA-N 376.391 -0.512 5 20 GBBD CCN1C[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1=O 1578216169 ZTPRGYNJFGGBIJ-VIFPVBQESA-N 395.401 -0.078 5 20 GBBD CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590500645 SNSIGFCOMVFEJC-JTQLQIEISA-N 381.374 -0.326 5 20 GBBD COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1784260085 IFMYQTLTHOLYKF-INIZCTEOSA-N 395.372 -0.278 5 20 GBBD CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793075669 XCPCAWLJOXAPSL-NOHGZBONSA-N 381.389 -0.462 5 20 GBBD CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793075867 WDJMHIVGXBMBCB-QPPBUOOMSA-N 381.389 -0.462 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)c1 1798538504 QOKBQRZAKVUYME-DPIQGUFMSA-N 391.428 -0.177 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)C(=O)N(C)C)C2)n1 1842836595 BQVZOYMCTUVRRK-UHFFFAOYSA-N 391.384 -0.096 5 20 GBBD Cc1cc(NC(=O)CN2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 28504170 JSVVTLCHJHHNEI-UHFFFAOYSA-N 377.361 -0.129 5 20 GBBD NC(=O)[C@H]1CCCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 264589422 FZHSABAMGAUEEH-JTQLQIEISA-N 399.429 -0.232 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 275287044 NWPCRMSRCKMDJH-LBPRGKRZSA-N 390.345 -0.089 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 276236286 PPTCCGWFBYVVDF-SNVBAGLBSA-N 384.370 -0.221 5 20 GBBD O=C(NCCCN1CCOCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 283486889 GSLFVHOCKZHPLP-UHFFFAOYSA-N 390.400 -0.074 5 20 GBBD CN1CCNC[C@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 420263234 BQQAXBWZNQITIS-ZDUSSCGKSA-N 399.473 -0.069 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@]1(CCO)CCOC1 447064097 TWOWDTONWTXOCG-HNNXBMFYSA-N 387.414 -0.079 5 20 GBBD C[C@@H]1OCC[C@@]1(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 447748023 VJLNNHPXKAQTRK-XHDPSFHLSA-N 387.414 -0.081 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 481864256 FRUATOKKKYPPJQ-SNVBAGLBSA-N 375.407 -0.453 5 20 GBBD COC(=O)CCN1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 501828838 SKNICUMAAAQDIR-ZDUSSCGKSA-N 392.368 -0.395 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 518405453 MSTXQLLULGBYBX-UHFFFAOYSA-N 393.400 -0.289 5 20 GBBD CN1CCN(C(=O)CN(C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 611522687 SURHTDJEBIWVKI-UHFFFAOYSA-N 393.400 -0.032 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 619873673 HFHWGNKBOOGDOY-LBPRGKRZSA-N 383.361 -0.912 5 20 GBBD CCNS(=O)(=O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 731646685 ROUJOHXXRWSYEG-UHFFFAOYSA-N 384.370 -0.754 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 763340455 USYDXCUWIAETDI-UHFFFAOYSA-N 385.446 -0.158 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1CCS(=O)(=O)C1 771590019 FIWAIKKKELTMDQ-NSHDSACASA-N 392.411 -0.007 5 20 GBBD C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 788531178 UZQJQWDOCCDLKI-GWCFXTLKSA-N 398.397 -0.075 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCS(=O)(=O)N(C)C 794237122 AGGDRGYFZIYXLK-UHFFFAOYSA-N 389.386 -0.198 5 20 GBBD Nc1nsc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)n1 822912031 JKYAWHPHQJBSRN-UHFFFAOYSA-N 375.378 -0.070 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1c([N+](=O)[O-])c(C)nn1C 1116903275 RJAVEZGGEOEVEJ-UHFFFAOYSA-N 382.421 -0.501 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1329714707 CIYDPTKSXFXCRX-GFCCVEGCSA-N 384.414 -0.391 5 20 GBBD O=C(Cn1nccn1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1781421817 NXUNBBJBMNSMLA-HNNXBMFYSA-N 390.360 -0.947 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783363634 KZMIOWDROCGIBZ-UHXUPSOCSA-N 394.384 -0.084 5 20 GBBD CO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1791319590 XPLJETOFGAVYPE-ZPFDUUQYSA-N 381.389 -0.054 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2)C(O)O 1792794650 JEZZNBPDRDHGAF-QHBPRCKVSA-N 397.359 -0.823 5 20 GBBD NCC(=O)N1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1804420367 VARGWVRMZIUZSW-CXAGYDPISA-N 387.400 -0.149 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843351844 QHDWZNOGGZNDEE-UHFFFAOYSA-N 389.328 -0.350 5 20 GBBD CCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 28677235 IWDNXYCKKHZAAD-UHFFFAOYSA-N 382.329 -0.278 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1)N1CCOCC1 273270072 GHEXBBFSZBFDSO-UHFFFAOYSA-N 392.368 -0.556 5 20 GBBD C[C@H](CN1CCOCC1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280796509 OXNCXDXOUUJVKA-GFCCVEGCSA-N 386.430 -0.290 5 20 GBBD COCC1(O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 295086240 YNAMFEUXOHHHSC-UHFFFAOYSA-N 387.414 -0.187 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 298769745 ODQFMUCBPLJVDY-LLVKDONJSA-N 385.398 -0.265 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)O)C1 435698562 RTGSIYZKFAOIMB-LERXQTSPSA-N 394.384 -0.699 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 540124543 LOWVSVKAOGRAPS-JTQLQIEISA-N 375.407 -0.453 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)C1CC1 567626882 BOCTUBHXZRUWFW-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD COC(=O)COCCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600400096 ABZJGNJXZJDZJS-UHFFFAOYSA-N 389.386 -0.479 5 20 GBBD CC[S@@](=O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 735110154 LGWIZWUGKXKSKP-XMMPIXPASA-N 392.459 -0.059 5 20 GBBD CCNC(=O)NC(=O)COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748378357 DQWNFWGZWNSGSO-UHFFFAOYSA-N 381.345 -0.217 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783480954 FBZHVPIKNLDAMB-MLGOLLRUSA-N 379.373 -0.060 5 20 GBBD CC(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809713 JYHDMFPHWZVHCP-TZQJONAQSA-N 395.416 -0.072 5 20 GBBD CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356697 CTVFOCUKKDPYNM-DRXBFXEBSA-N 394.384 -0.083 5 20 GBBD O=C(C[C@H]1COCCN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262058256 IFORSSWVPYOYBC-ZDUSSCGKSA-N 398.441 -0.194 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC(=O)N1CCOCC1 271981889 ZEMKZUNWFXNHGM-UHFFFAOYSA-N 376.325 -0.834 5 20 GBBD CNC(=O)[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 272841742 IPQDEFOKBNTMBO-INIZCTEOSA-N 391.428 -0.310 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 276194039 IHOKLXAPLBTQSB-ONGXEEELSA-N 387.370 -0.307 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 283617959 VTDHRIPHDLJUPL-UHFFFAOYSA-N 394.431 -0.626 5 20 GBBD CCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)NC1=O 294402387 CZJFACKGUBZPAD-SNVBAGLBSA-N 384.370 -0.863 5 20 GBBD O=C1N[C@]2(CCOC2)C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 349335539 WBYGIYDDECVZKH-AWEZNQCLSA-N 384.370 -0.416 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@@H](C(=O)OC)[C@@H](C)O)cc1[N+](=O)[O-] 416466211 PSGZTADMFQIXDS-RDDDGLTNSA-N 376.343 -0.418 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] 443235873 CZVHCCDMDZHSBS-HNNXBMFYSA-N 389.430 -0.035 5 20 GBBD CNC(=O)Cn1cnc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 465148236 HEJLKRJDOWMJIP-UHFFFAOYSA-N 376.329 -0.115 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H]1CNC[C@@H]1O 493972964 FSCUIGUNPSNZBZ-DCAQKATOSA-N 386.430 -0.264 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1C(=O)CCC1=O 505949174 YXVHAURSEBVKRB-UHFFFAOYSA-N 377.357 -0.341 5 20 GBBD C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)NCCN(C)C 579635809 ISTPSVINFKOOAG-SNVBAGLBSA-N 397.457 -0.032 5 20 GBBD CCN1CCN(C(=O)CNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 590565141 RPXGNMRMAQGUFB-UHFFFAOYSA-N 391.428 -0.087 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 594826841 PGVFRCCFPQQBNK-ONGXEEELSA-N 380.400 -0.306 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CCO[C@H]2CN)c([N+](=O)[O-])c1 595923141 QSUXVGPFKBKOEV-FZMZJTMJSA-N 386.430 -0.110 5 20 GBBD CN1CCN(C(=O)CN(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 603819910 BZYUGNCTCCJTDS-UHFFFAOYSA-N 398.441 -0.156 5 20 GBBD O=C(O[C@H]1CCNC1=O)c1cc(C(=O)O[C@@H]2CCNC2=O)cc([N+](=O)[O-])c1 764573095 CWOABBSMWLWWPR-TXEJJXNPSA-N 377.309 -0.315 5 20 GBBD Nc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 772987630 GLLXLFJSRVIBOA-UONOGXRCSA-N 384.414 -0.907 5 20 GBBD CN(CCCNC(=O)COC(=O)c1c(N)cccc1[N+](=O)[O-])S(C)(=O)=O 778143237 KYBAKBDDQONKEE-UHFFFAOYSA-N 388.402 -0.269 5 20 GBBD Cn1cc(C(=O)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(=O)n(C)c1=O 781841367 TUUSRRKMMSOKOU-UHFFFAOYSA-N 386.317 -0.750 5 20 GBBD C[C@]1(C2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)NC(=O)NC1=O 820613070 RYAUOYNDJHRUPG-OAHLLOKOSA-N 387.360 -0.016 5 20 GBBD O=C(C(=O)N1C[C@@H](O)[C@@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839209143 GATWTBFNHGJXDQ-IUODEOHRSA-N 378.385 -0.945 5 20 GBBD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851326690 BYLOKCNYIBDBOI-NXEZZACHSA-N 396.381 -0.030 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1324951473 LNJMKQCUFMIWQU-LBPRGKRZSA-N 390.400 -0.673 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@]23CCOC3)c1-c1nn[nH]n1 1609602948 QOSQOYINNFOCIJ-CQSZACIVSA-N 396.385 -0.045 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cc(O)n[nH]1 1795691295 OQYMKUKEYNNQRR-AKZRSSKFSA-N 391.344 -0.736 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1cccnc1)C(O)O 1802921842 BAXVLEBYFFAEJT-RISCZKNCSA-N 389.368 -0.052 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808364761 QUWDHSWUIPXIBB-JQWIXIFHSA-N 390.356 -0.657 5 20 GBBD C[C@H]1CN(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 26776635 MYFJLMDAEKTAHG-TXEJJXNPSA-N 388.450 -0.196 5 20 GBBD Cc1cc(C(=O)NCC(=O)N(C)CC(=O)N2CCOCC2)ccc1[N+](=O)[O-] 272814758 KBKLJHPAYMAXAK-UHFFFAOYSA-N 378.385 -0.050 5 20 GBBD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 282403043 XKKYASFXUJQCDV-ZWNOBZJWSA-N 399.429 -0.303 5 20 GBBD CN(CCn1cccn1)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297678681 KWGBXHPGYGKLKW-UHFFFAOYSA-N 387.400 -0.007 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCCOC)c([N+](=O)[O-])n1 485935382 VCDWJJVYJOIQAK-QWRGUYRKSA-N 378.407 -0.090 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 500573180 KSORSHVSLKPSKB-JTQLQIEISA-N 391.392 -0.399 5 20 GBBD COC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 565202204 VYBLFIYFPRLJSG-VIFPVBQESA-N 398.397 -0.334 5 20 GBBD CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-] 576231437 HQZKGHOKKKQRBU-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 590987127 OVBBZCQUBIHQAE-CQSZACIVSA-N 390.396 -0.157 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCN(C)C1=O 591537432 NJSUOGXCGNZART-ZDUSSCGKSA-N 384.414 -0.190 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 594776811 JVJFGEZYZBJICP-LBPRGKRZSA-N 380.400 -0.569 5 20 GBBD CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O 596195822 OEGTUDXQTUSEIG-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD O=C(NC[C@@H]1COCO1)c1cc(C(=O)NC[C@@H]2COCO2)cc([N+](=O)[O-])c1 861977392 GNSRJJJTPZXKJQ-ZIAGYGMSSA-N 381.341 -0.200 5 20 GBBD CN1CCN(C(=O)CCNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1321563072 BRRNCWWFRFFEKZ-UHFFFAOYSA-N 391.428 -0.466 5 20 GBBD CN(C)C(=O)CCCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1323579926 LMVDUFDIAHEXMN-UHFFFAOYSA-N 380.405 -0.061 5 20 GBBD CC1(C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)COC1 1841132560 YTROUWMLBPGPOB-UHFFFAOYSA-N 390.396 -0.004 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)cc1[N+](=O)[O-] 275049342 XWQDOJRKHPPFNB-UHFFFAOYSA-N 390.330 -0.748 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 298680564 JSRYNERTOYVZLC-UHFFFAOYSA-N 380.386 -0.281 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 363498014 BUOWIDXBMLSEFW-MFKMUULPSA-N 384.414 -0.137 5 20 GBBD CCC[C@@H](O)[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 412537726 RXRCFGWKMQVMAK-UONOGXRCSA-N 389.430 -0.147 5 20 GBBD O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 418672681 NSZWGIFGUADOLM-FICVDOATSA-N 395.441 -0.172 5 20 GBBD Cc1sc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 467080904 ISMQXUPYOOBCPK-UHFFFAOYSA-N 398.488 -0.440 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 502823820 CCNIKMXXIBPUGM-SECBINFHSA-N 389.372 -0.383 5 20 GBBD NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 580081127 DMRMBMORUCLVQM-JTQLQIEISA-N 375.384 -0.116 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(=O)O 594541555 BKUPQNWZROYQPL-VIFPVBQESA-N 398.397 -0.222 5 20 GBBD CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594759989 NVCOETXIHWSXHM-VHSXEESVSA-N 378.432 -0.014 5 20 GBBD CCn1nncc1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 599114262 YXXOAXDXCNNYKY-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](CO)[C@H](CO)C1 600215760 LRMNLXVDEYERTE-RYUDHWBXSA-N 387.414 -0.678 5 20 GBBD NC(=O)C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 600679440 KHQGJFWJQWSREV-CYBMUJFWSA-N 379.373 -0.503 5 20 GBBD CCS(=O)(=O)NCCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 731698664 MJWHDSBELJPKLP-UHFFFAOYSA-N 385.354 -0.327 5 20 GBBD CC1(C)OCC(NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CO1 817827786 UUEPPLHVUNTYJZ-UHFFFAOYSA-N 393.400 -0.094 5 20 GBBD Cn1cnc2c1c(=O)n(CCCOC(=O)Cn1ccc([N+](=O)[O-])n1)c(=O)n2C 919379062 FNBKLBXGWYOFKR-UHFFFAOYSA-N 391.344 -0.828 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1320754284 QIAYJRRMKXKCEA-UHFFFAOYSA-N 385.446 -0.179 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1606277021 IMBDFPHPIDDINI-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD NCC(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1807028969 LHYXLOJBHIZPEC-DYVFJYSZSA-N 387.400 -0.149 5 20 GBBD O=C(NC[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1)[C@H]1CCCN1 261871220 ODZNFUFSIMKQIR-UKRRQHHQSA-N 391.428 -0.137 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccn(CC(=O)N2CCOCC2)n1 265294438 DMJWLZRQQWBPID-UHFFFAOYSA-N 375.345 -0.112 5 20 GBBD CCNS(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 265519908 RGXYNJQJAZKWEL-UHFFFAOYSA-N 392.459 -0.025 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273210123 ALZAYFCDOKRQSK-UHFFFAOYSA-N 399.385 -0.781 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 281130920 IQRSRGGAAVPWPF-UHFFFAOYSA-N 392.459 -0.057 5 20 GBBD O=C1NC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CCN2C1=O 360130517 PTDXVZJZOXGQNZ-CYBMUJFWSA-N 387.396 -0.022 5 20 GBBD COC(=O)CN1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 476902869 NATZONOAPOPWLK-UHFFFAOYSA-N 378.385 -0.050 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] 493819797 NFUHGWNUWQPXDD-QMMMGPOBSA-N 398.390 -0.166 5 20 GBBD CN1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 522581653 XWHBJZHYCHHVJG-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD NC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)O 548209716 NQZZKPLMGOTCEB-SSDOTTSWSA-N 396.175 -0.036 5 20 GBBD COC(=O)C1CCN(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 748918397 XMHWPLUANNCKLR-UHFFFAOYSA-N 381.341 -0.289 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[C@]2(CO)C1 782946903 VNACFTLCQFIXJE-IAQYHMDHSA-N 384.414 -0.103 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 800548981 CVRUDRBBQMFNCY-UHFFFAOYSA-N 381.370 -0.024 5 20 GBBD CN(C)C(=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825841493 XGPBCPLYUNFPJY-UHFFFAOYSA-N 383.390 -0.078 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)cc1[N+](=O)[O-] 1604762702 KHWYZFNATGIDDP-GTNSWQLSSA-N 393.352 -0.107 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784850162 AQSJTCADABWNEE-XSLLRJJBSA-N 391.384 -0.346 5 20 GBBD COC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793439322 PWKJTFCDLIIEGO-NFFDBFGFSA-N 395.416 -0.337 5 20 GBBD CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794003615 LNQJXDBKQXSEIQ-LMWOUKEDSA-N 394.432 -0.621 5 20 GBBD CC(C)(O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011160 USEDWSAEVQTUNE-DDFAGTSDSA-N 381.389 -0.318 5 20 GBBD CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1834807578 GSPAVRSBJQYFMH-INIZCTEOSA-N 381.389 -0.342 5 20 GBBD Cn1c(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)cc(=O)n(C)c1=O 106280251 DTCSJOMEDGSBSH-KRWDZBQOSA-N 387.352 -0.041 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 275970136 UPBGPUGACZWCSS-LLVKDONJSA-N 375.341 -0.989 5 20 GBBD COCC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 288433592 RZVBDGLVXRTTSE-LBPRGKRZSA-N 386.386 -0.170 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](OC)C(=O)OC 291850417 DJWLNOUTYVISJM-JTQLQIEISA-N 376.343 -0.152 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccc([N+](=O)[O-])cc1 298769747 ODQFMUCBPLJVDY-NSHDSACASA-N 385.398 -0.265 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 299550229 CAAPOOVGPLBFCS-GJZGRUSLSA-N 383.426 -0.249 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 372148732 GAWNZGHYAQTCQY-JTQLQIEISA-N 379.416 -0.084 5 20 GBBD C[C@]1(O)C[C@@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 416281026 DCNAJWWLIFOFON-XALPAYFRSA-N 399.425 -0.252 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424367782 NTWLGICVJIPTHD-NSHDSACASA-N 394.383 -0.524 5 20 GBBD COC(=O)COc1ccc(CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] 475099732 XYVYKHHVIKXEMZ-GFCCVEGCSA-N 378.341 -0.117 5 20 GBBD Nc1nccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 548715111 UZKQHHKWUGTIPV-LLVKDONJSA-N 378.389 -0.765 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598603328 ZSCMJBZQUWQZMW-NSHDSACASA-N 386.434 -0.261 5 20 GBBD NC(=O)CN(CC(N)=O)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br 754967549 JGVJCVBBRDKTBY-UHFFFAOYSA-N 377.126 -0.091 5 20 GBBD CN1CC[C@@H](C(=O)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])S1(=O)=O 842751791 NVONCNRSOTWZPP-VIFPVBQESA-N 381.363 -0.427 5 20 GBBD O=C(CO[C@H]1CCCNC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 843405568 ZQOMKNJJNJEPDJ-ZDUSSCGKSA-N 386.430 -0.242 5 20 GBBD C[C@H]1CN(CCN(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 1323668594 PKBPXEIYWBSIOY-BETUJISGSA-N 382.421 -0.525 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 1592941757 USBHTIHGJRRYMV-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778132201 DVLNWJUZDPKARX-USBNGQNGSA-N 379.373 -0.468 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2 1794000523 QJTPHNDEKBMQPN-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 45832342 AVHLWMMPFHBXOK-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNS(C)(=O)=O 273098219 DTCOZBANMFBZFR-UHFFFAOYSA-N 381.388 -0.791 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 273147418 LDVNADNKDGBGKE-UHFFFAOYSA-N 399.429 -0.585 5 20 GBBD NC(=O)[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 273416317 JWXDHTXDCFCCJN-GFCCVEGCSA-N 386.386 -0.736 5 20 GBBD O=C(N[C@@H]1CCCNC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419847683 UHBRXSIARZQIOK-CQSZACIVSA-N 389.412 -0.253 5 20 GBBD O=C1NCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1Cc1nc2ccccc2o1 435818252 QZOXXGGOIRSXGX-LLVKDONJSA-N 385.340 -0.103 5 20 GBBD Cn1cc(S(=O)(=O)NCC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cn1 444630531 HGDLUDRNQQCKCV-UHFFFAOYSA-N 393.385 -0.201 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CO)[C@@H]1CCCO1 468661181 KCMUUROLVUWOAT-KBPBESRZSA-N 387.414 -0.081 5 20 GBBD CN1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 480169985 WOENETBHMFZHKL-CYBMUJFWSA-N 384.414 -0.048 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 542238647 IRHJDQYMYAQMIT-VIFPVBQESA-N 393.399 -0.567 5 20 GBBD CN1C(=O)CN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 599552198 XGSBBEQVXKMJHE-UHFFFAOYSA-N 389.368 -0.227 5 20 GBBD CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 735771136 KIZSDCZUFIIFMF-VIFPVBQESA-N 375.363 -0.820 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NN1CC(=O)N(C)C1=O 776241554 KBTDPMHZISQRSX-QMMMGPOBSA-N 399.385 -0.036 5 20 GBBD COc1cc(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-] 813950294 LZOBZBCKNNEKMA-UHFFFAOYSA-N 386.386 -0.258 5 20 GBBD COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 821656907 BZNJKXBHKWXKHQ-VIFPVBQESA-N 398.357 -0.663 5 20 GBBD COC(=O)CNC(=O)[C@H](C)OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 927360626 RABFRWLTEUCLCU-VIFPVBQESA-N 395.324 -0.459 5 20 GBBD C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CCN1S(C)(=O)=O 1605418623 OXKAAQPTDXDMAH-MRVPVSSYSA-N 382.406 -0.173 5 20 GBBD NC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1785624344 WCCAQZOXFWNQPU-OAHLLOKOSA-N 381.345 -0.700 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CNS(=O)(=O)c1cn(C)cn1 268080991 GIEMLXZSUIEDKL-UHFFFAOYSA-N 383.386 -0.068 5 20 GBBD Cc1c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] 275854241 BWWJNTOKULBLOQ-JTQLQIEISA-N 375.341 -0.989 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 368984020 MPASOYPXSKYIAK-KGLIPLIRSA-N 387.389 -0.039 5 20 GBBD Cn1cc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)nc1=O 544480377 SMMPKSFZKSKLPK-UHFFFAOYSA-N 382.354 -0.402 5 20 GBBD CCc1[nH]nc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 550645042 SZSRJGUEYSKNHX-VIFPVBQESA-N 387.418 -0.354 5 20 GBBD O=C(CN1CCC(=O)NC1=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 566348465 AVABXUAYFDGWFV-UHFFFAOYSA-N 387.356 0.008 5 20 GBBD COc1ccc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 576760973 UITWOUGXKPLHRA-VIFPVBQESA-N 379.416 -0.084 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 600017309 VLBYMVIMENEDJP-LBPRGKRZSA-N 379.373 -0.002 5 20 GBBD CC1=NNC(=O)[C@@H]1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 609623358 JGNDIYOPHJRPMO-CYBMUJFWSA-N 397.413 -0.109 5 20 GBBD C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(=O)N(C)C 726894302 XPQCOVBUYSPZFF-BTDLBPIBSA-N 391.384 -0.045 5 20 GBBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)CN(C)S(C)(=O)=O 821602970 DIIGCKIDVZIICW-UHFFFAOYSA-N 394.431 -0.277 5 20 GBBD CN(CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)CS(C)(=O)=O 1604771802 WSODDYJBHLLVJP-UHFFFAOYSA-N 383.390 -0.310 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21)C(O)O 1783868155 XRRKFPNOLACGQP-WFBYXXMGSA-N 397.359 -0.362 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839769776 TTXVKXMTWRUKIE-MMPTUQATSA-N 397.363 -0.254 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CN1 1841112366 YBIBPXGBDDRQRD-SNVBAGLBSA-N 376.373 -0.339 5 20 GBBD CN(CC(=O)N1CCN2C(=O)NC[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 267840815 NMXJOYJQRYVVKH-LBPRGKRZSA-N 397.413 -0.549 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 275179315 WISJKMIBTZEVKB-SNVBAGLBSA-N 378.384 -0.224 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 279540572 AKIWSNAFWCMUIT-OAHLLOKOSA-N 399.429 -0.220 5 20 GBBD O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc([N+](=O)[O-])cn1 363873543 RMVHIJHMOOGCIY-UHFFFAOYSA-N 399.429 -0.239 5 20 GBBD CCN1C(=O)[C@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 369473094 VMKFSWCUQMIGFU-CYBMUJFWSA-N 389.368 -0.181 5 20 GBBD C[C@H]1CCNC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420107486 AWIVQMASZICHRP-FZMZJTMJSA-N 398.441 -0.401 5 20 GBBD CN1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 424962014 VPPCGELUZPSBBD-NSHDSACASA-N 384.414 -0.142 5 20 GBBD CN1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 519093774 ZBUWBVAFLHRCJP-NSHDSACASA-N 384.414 -0.142 5 20 GBBD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCCn1ccc([N+](=O)[O-])n1 789114680 XSSZUHSECULVFX-OAHLLOKOSA-N 395.372 -0.050 5 20 GBBD NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 822858994 FAKYVXRLDBPNPE-MRVPVSSYSA-N 381.374 -0.339 5 20 GBBD CS(=O)(=O)N1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1117538587 FECRJPDAMKBPSD-UHFFFAOYSA-N 398.441 -0.253 5 20 GBBD C[C@H]1COCCN1CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1323373911 QAKSADITGAVYLW-ZDUSSCGKSA-N 380.401 -0.073 5 20 GBBD CC(C)CNC(=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1843433178 ZJIRQKQCHMFPGA-UHFFFAOYSA-N 378.389 -0.093 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCNC(=O)C1CC1 63632465 QHENKPFGKQQACK-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 265103422 UCJQKXAMRGURJI-UHFFFAOYSA-N 380.404 -0.887 5 20 GBBD COC[C@H](O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 270868703 LJMSLOZNKORILE-LLVKDONJSA-N 390.418 -0.430 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O 275097871 QCBFVOJHNFRLJW-VIFPVBQESA-N 389.342 -0.622 5 20 GBBD C[C@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC(=O)N1 295854780 XVJPSSRDJUMVHB-NSHDSACASA-N 385.446 -0.241 5 20 GBBD CCOC(=O)COCCNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 297008390 GGNNCXVLFJOJOI-DZGCQCFKSA-N 385.373 -0.132 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)cc1[N+](=O)[O-] 416454960 UDAJWKVJIQBDNL-NSHDSACASA-N 389.411 -0.027 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 468713989 KQXLJRCIEGHWCZ-NSHDSACASA-N 399.429 -0.255 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1(O)CCOCC1 478927220 XELQHCYXCQPSLU-UHFFFAOYSA-N 387.414 -0.079 5 20 GBBD COCC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 480000157 RKPAJVRFKMKACI-LLVKDONJSA-N 390.418 -0.430 5 20 GBBD NC(=O)NC1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 480898218 HPMFYZRMCARWDJ-UHFFFAOYSA-N 375.341 -0.150 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 522643637 IHUKRTFONYTWMI-NSHDSACASA-N 380.386 -0.061 5 20 GBBD CCS(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 533925357 SGDRLFQUBYYIIU-UHFFFAOYSA-N 390.443 -0.120 5 20 GBBD CN(C)CCOCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 578811064 IRQXUCPOBMPIBT-UHFFFAOYSA-N 393.444 -0.062 5 20 GBBD COC(=O)[C@@H]1CNCCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 592551210 DZLNJSKIGBYMQO-AWEZNQCLSA-N 378.385 -0.003 5 20 GBBD NS(=O)(=O)[C@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598897606 HQXVTYLDDYUHTG-LBPRGKRZSA-N 385.402 -0.004 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N 773674065 RTEFDTQHZGOVTJ-ZDUSSCGKSA-N 380.357 -0.303 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1[N+](=O)[O-] 849397702 AGBMEQQKKBKYIY-UFBFGSQYSA-N 375.359 -0.253 5 20 GBBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 916466144 DPGUFPWTYDHLKV-SSDOTTSWSA-N 391.383 -0.174 5 20 GBBD C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1117377976 PBSUADTUBHZTSX-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1322647015 VAVIUKDVCJTSTJ-CQSZACIVSA-N 398.441 -0.206 5 20 GBBD CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1790847555 SSLNRVJQYKTCJW-SRVKXCTJSA-N 394.388 -0.953 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796850153 TYHBGRLZDBQFIO-LMLFDSFASA-N 393.404 -0.838 5 20 GBBD O=C(C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1)C1CC1 1845823747 LQKHMMKWCGYVHY-UHFFFAOYSA-N 388.380 -0.061 5 20 GBBD CNC(=O)CC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823794 PPOBLGNULHZETB-UHFFFAOYSA-N 391.384 -0.904 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 109219815 LEUXCTSHDLVJFW-UHFFFAOYSA-N 394.432 -0.507 5 20 GBBD COC[C@](C)(NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)OC 268099033 FFIZUNXIJLTBGA-AWEZNQCLSA-N 389.386 -0.141 5 20 GBBD CC(C)(CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCCO 292201068 YFKAYZCMYUDXIF-UHFFFAOYSA-N 375.403 -0.223 5 20 GBBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cn2ccc3c(=O)n(C)c(=O)n(C)c32)n1 350884210 AJGJOSIOGAVSPA-UHFFFAOYSA-N 386.328 -0.221 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)N1CCC1 420726422 NCYFEWUZRVLCMJ-UHFFFAOYSA-N 378.432 -0.245 5 20 GBBD CN(CC(=O)O)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O 435699680 ZUIDNWINRXRYGU-LSDHHAIUSA-N 389.368 -0.018 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442045943 QZDLUFDSSIKYMX-NSHDSACASA-N 375.341 -0.087 5 20 GBBD Cc1c(C(=O)Nc2ccn(CCN(C)C)n2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 461984100 RVIFPILMCGJNLT-UHFFFAOYSA-N 396.429 0.561 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 505980684 DPORQOYBBBRKHZ-CQSZACIVSA-N 396.448 -0.133 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCc2nncn2C1 570990838 RKICBFSIMNROBV-NSHDSACASA-N 394.413 -0.157 5 20 GBBD CN(C)S(=O)(=O)N1CC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 600709990 LZVFHNBJIGGXRR-UHFFFAOYSA-N 399.429 -0.679 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 750052877 QFLZHLUXDMNVPE-OAHLLOKOSA-N 390.396 -0.079 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC(NS(C)(=O)=O)C1 862841242 KYYSADLODNGDOY-UHFFFAOYSA-N 387.370 -0.445 5 20 GBBD CC(=O)N1CCN(C(=O)[C@H](OC(=O)Cn2cnc([N+](=O)[O-])n2)C(C)C)CC1 919520683 DQRAGFLMQLQHCN-CYBMUJFWSA-N 382.377 -0.555 5 20 GBBD CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1323600199 YMHFTJZUQFEDNP-CYBMUJFWSA-N 398.441 -0.206 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCSC[C@H]2CO)c1 1607080283 SDOJLQVBIUKSGZ-SECBINFHSA-N 386.415 -0.127 5 20 GBBD NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780091693 JHXJCFIJUJNEFR-SFHVURJKSA-N 390.396 -0.068 5 20 GBBD NC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1785624343 WCCAQZOXFWNQPU-HNNXBMFYSA-N 381.345 -0.700 5 20 GBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)C1 1802004386 KGBCNAJYTLQHBS-DRXBFXEBSA-N 391.384 -0.640 5 20 GBBD COCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1834966019 DYPKVWHFWHDHMR-MRXNPFEDSA-N 383.357 -0.096 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1[nH]nc2c1CNCC2 262745793 AFOLJKZZCLYUPQ-UHFFFAOYSA-N 394.413 -0.328 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 274656808 FTOIENIWEUMHOO-KGLIPLIRSA-N 399.425 -0.724 5 20 GBBD COC(=O)c1cc(C(=O)NCCNS(=O)(=O)NC(C)C)cc([N+](=O)[O-])c1 277257873 WKOZZUJQODDLIK-UHFFFAOYSA-N 388.402 -0.056 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCNS(=O)(=O)N(C)C 296037874 NWVHNQGMOLNVNC-UHFFFAOYSA-N 384.411 -0.283 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C(=O)CCC1=O 420969537 CKOAIZDQPOBJLB-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD CNS(=O)(=O)c1ccc(NCC2CN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 490045698 HEBQLGDTTQOULK-UHFFFAOYSA-N 378.432 -0.194 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)cc1 506521757 ACKIGNXRCXZODV-UHFFFAOYSA-N 380.386 -0.072 5 20 GBBD CN(CC(C)(CO)CO)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 508827290 JIPKMJUBHVWRIX-UHFFFAOYSA-N 389.430 -0.288 5 20 GBBD O=C1CN(CCNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1 510941165 KJYAPLBJPXFKAJ-LLVKDONJSA-N 395.441 -0.191 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC[C@H]2CS(=O)(=O)CCO2)ccc1[N+](=O)[O-] 542086409 ZPVGJYRMOUGOJG-LBPRGKRZSA-N 385.398 -0.437 5 20 GBBD CN1CC[C@](O)(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 545156254 QGFWVDZRUOJQPS-HNNXBMFYSA-N 386.430 -0.602 5 20 GBBD O=C(NC[C@@H]1COCCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 551785108 RWXRUHMORQYBSG-OAHLLOKOSA-N 378.385 -0.225 5 20 GBBD O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(c2cc(N3CCOCC3)ncn2)CC1 554849770 DXTAYYLPKZVKMV-UHFFFAOYSA-N 388.388 -0.093 5 20 GBBD CN(CCN1CCNCC1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 592982981 PDBYDWRYIXIABW-UHFFFAOYSA-N 386.430 -0.108 5 20 GBBD O=C(CCN1CCOC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735015727 UVHATXYJGHLFFG-UHFFFAOYSA-N 386.386 -0.168 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756238004 AEUWHJAHNIYZML-SECBINFHSA-N 386.390 -0.257 5 20 GBBD NC(=O)CN1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1=O 837971768 OKGOXSSAKGZECI-UHFFFAOYSA-N 379.329 -0.408 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 839471563 YBPSVSURVUXTOI-ZWNOBZJWSA-N 395.397 -0.233 5 20 GBBD CN1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCC1=O 1604846794 QHJOEQUIJOTNBV-MRVPVSSYSA-N 381.374 -0.326 5 20 GBBD NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792359450 TTZQTUJFDBZEKK-YFKFIEJBSA-N 381.345 -0.941 5 20 GBBD COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008996 WXQATKFXNDNQNK-DOFRTFSJSA-N 383.361 -0.860 5 20 GBBD C/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800285036 RYQSZNLYZIJSAX-ZAHULMEISA-N 390.396 -0.078 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)[C@H]1CCOC1 1801513144 MCEDYGUKUXNPOK-YFKTTZPYSA-N 379.373 -0.442 5 20 GBBD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413893 ZZCAWAXWEJXDNQ-QGZVFWFLSA-N 394.384 -0.671 5 20 GBBD C[C@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843391022 NFSLQYGYVWGSPP-OAHLLOKOSA-N 395.372 -0.249 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 52995343 APBZQEAEDPODNG-VIFPVBQESA-N 395.397 -0.154 5 20 GBBD O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@@H](O)C1 295757555 BRUCSQYJTGWAQV-ZFWWWQNUSA-N 399.425 -0.032 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 299681136 RMUZKYVQZVMVAC-CABCVRRESA-N 399.425 -0.724 5 20 GBBD CO[C@@H]1C[C@H]2C(=O)N(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)N2C1 372953792 IRTPHBZAOOLQDW-PWSUYJOCSA-N 398.397 -0.075 5 20 GBBD Cn1cc(S(=O)(=O)NCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cn1 463044398 RBEGSIOXQITNFP-UHFFFAOYSA-N 379.354 -0.097 5 20 GBBD CN(Cc1nnnn1C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 467274326 GCNRWYVUSDGWKB-UHFFFAOYSA-N 383.390 -0.555 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 468649706 QKSASHZMZFTIME-SKDRFNHKSA-N 378.341 -0.787 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cn1C 493920524 QCJAMXDEBXNBNH-UHFFFAOYSA-N 383.390 -0.493 5 20 GBBD COC[C@@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 522655487 NYHUZBUXJJULTO-AWEZNQCLSA-N 390.418 -0.430 5 20 GBBD CN1CCNC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 578858809 VYQLGDRYOATGLQ-ZDUSSCGKSA-N 385.446 -0.765 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]12 596500883 KENXKMSLKMYOIF-BIMULSAOSA-N 391.427 -0.510 5 20 GBBD Cc1nn(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c(=O)n1C 848846850 MHKUZQCVYMPIJM-UHFFFAOYSA-N 393.312 -0.291 5 20 GBBD COC(=O)CNC(=O)[C@@H](C)OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 927360625 RABFRWLTEUCLCU-SECBINFHSA-N 395.324 -0.459 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCNC1=O 1325961380 YYORKEQKELRLTA-HNNXBMFYSA-N 389.412 -0.020 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 1594960649 ASIMLNVRBSPOJW-CYBMUJFWSA-N 383.382 -0.333 5 20 GBBD CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839829459 FBCVHRQTDMPRDS-MRXNPFEDSA-N 395.372 -0.633 5 20 GBBD C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840020279 QBFCCIVQXIKINJ-BDJLRTHQSA-N 383.357 -0.361 5 20 GBBD C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N1CCS(=O)(=O)CC1 264535118 NHPLFMBDBCQAAU-SECBINFHSA-N 395.397 -0.154 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 266184259 GNGSDEXDIQHCJP-UHFFFAOYSA-N 398.401 -0.156 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 274947986 SAVKGABFHIVOQE-NSHDSACASA-N 378.384 -0.445 5 20 GBBD C[C@H](O)C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 283555330 VJLHBIUOADVZTF-NWDGAFQWSA-N 387.414 -0.129 5 20 GBBD O=C(Cn1cnnn1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298194726 PJBNSIABPFZKGQ-UHFFFAOYSA-N 381.374 -0.886 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@@H](CO)CN2CCOCC2)cc1[N+](=O)[O-] 425284975 FDYPXYCCIDZTIZ-CYBMUJFWSA-N 396.400 -0.858 5 20 GBBD CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 472573596 HSYXYDGKUKMBEN-UHFFFAOYSA-N 381.364 -0.047 5 20 GBBD COC[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 484367542 CMTFDMNWHIVYNS-GFCCVEGCSA-N 389.386 -0.433 5 20 GBBD COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 500332346 NYDMEMUAOCPFNQ-GFCCVEGCSA-N 378.341 -0.187 5 20 GBBD NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 514705757 RNPFRPBYSBQRMU-UHFFFAOYSA-N 378.366 -0.007 5 20 GBBD NS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 532675229 BSFMMKRLPUPQQP-UHFFFAOYSA-N 375.388 -0.583 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1 540390051 BNEAWHSIUOCQSI-SECBINFHSA-N 378.432 -0.240 5 20 GBBD CN(CCN1CCNCC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 592468568 CAOVXHHGFXEMRH-UHFFFAOYSA-N 378.433 -0.242 5 20 GBBD CCn1cc(S(=O)(=O)N2C[C@@H]3[C@H](C2)[C@@H](OC)CS3(=O)=O)c([N+](=O)[O-])n1 594883786 IDLATKONMMIWDY-KXUCPTDWSA-N 394.431 -0.756 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)n1 599229398 OGDNZPVYJHBCBA-UHFFFAOYSA-N 381.436 -0.722 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CC(=O)N(C)C)CC1 603834911 OFZWZABAATVWLJ-CYBMUJFWSA-N 391.428 -0.055 5 20 GBBD Cc1n[nH]cc1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 732218610 XCNYXKYORVRARJ-UHFFFAOYSA-N 389.415 -0.117 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 746236869 MRYLQOZMLSUPDQ-NXEZZACHSA-N 379.381 -0.060 5 20 GBBD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)O1 1323044106 HAWHHZRWYKCDSY-KBPBESRZSA-N 378.385 -0.037 5 20 GBBD NC(=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1606399313 VEIUYAUVNKSXRF-PHIMTYICSA-N 386.372 -0.170 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCCOCC(=O)O 1777260512 VCMKQNAKNHFHMX-UHFFFAOYSA-N 378.359 -0.001 5 20 GBBD O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)C1 1785402199 UUJYNQMCTAWPIX-KRWDZBQOSA-N 391.384 -0.400 5 20 GBBD Cn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n1 1794789484 GOVHRJCTPICHDI-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010951 MJCNRRIXTGHOKN-NOHGZBONSA-N 376.373 -0.951 5 20 GBBD NC(=O)NCC(=O)N1CCCC12CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1847108845 HJGCBBNILXYUMC-UHFFFAOYSA-N 377.357 -0.214 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1cccc([N+](=O)[O-])c1 52995510 CGZBDUXOAVVOEW-NSHDSACASA-N 385.398 -0.265 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CNCCO3)CC2)c([N+](=O)[O-])c1 262620537 NQJRVZCPWAOECV-HNNXBMFYSA-N 398.441 -0.365 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 264528579 JWSOCKDIUKERRE-UHFFFAOYSA-N 376.329 -0.334 5 20 GBBD O=C(O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 275030405 UBYAZVFEBFMVJQ-NSHDSACASA-N 377.350 -0.202 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 276209325 KZSFRGYDMPKCGG-UONOGXRCSA-N 384.414 -0.595 5 20 GBBD COC(=O)Cn1cc(CNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)nn1 441889399 OWMNAQVXRVKTKL-UHFFFAOYSA-N 390.312 -0.416 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 445041459 YZNTWPIDOAUFIN-NXEZZACHSA-N 395.463 -0.050 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] 462137214 HRASLEGWJOMLGU-UHFFFAOYSA-N 385.185 -0.137 5 20 GBBD CN(C(=O)CN1CCN(CCS(N)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 471020148 SXVBTUYAPVNJKF-UHFFFAOYSA-N 385.446 -0.536 5 20 GBBD NC(=O)COCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 578891977 ZTYVNBWAMDCERO-UHFFFAOYSA-N 389.162 -0.086 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 583035295 ONSPVEPYOOIAKN-VXGBXAGGSA-N 391.384 -0.754 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 597641893 OCNMORFYLRKSNN-CYBMUJFWSA-N 381.341 -0.179 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 598026505 GGFYQMMSEXIBOE-DGCLKSJQSA-N 385.398 -0.439 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 598030286 UEXIBLVLTKHZPG-KOLCDFICSA-N 397.365 -0.881 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598900118 NGWIAJHYNJAWRO-LBPRGKRZSA-N 385.402 -0.134 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 604145556 LMMYDAXMJOQEGX-UHFFFAOYSA-N 389.368 -0.517 5 20 GBBD NC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 736109475 UDOZBRKYGQUKKF-NSHDSACASA-N 399.429 -0.220 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 745387048 ATTUQGUJZLUFMV-UHFFFAOYSA-N 376.325 -0.077 5 20 GBBD CCN(C(=O)[C@@H](C)OC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCS(=O)(=O)C1 766966305 BUFJUVBVERYBJG-NXEZZACHSA-N 388.402 -0.091 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCN1C(=O)CNC1=O 914619359 KEVMKVKPNBALSE-UHFFFAOYSA-N 378.297 -0.585 5 20 GBBD O=C1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)N1 1798743963 KYYDLXRPUOSVKG-HOZXKAFVSA-N 391.384 -0.595 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)[C@@H]1CCOC1 1801513142 MCEDYGUKUXNPOK-WISYIIOYSA-N 379.373 -0.442 5 20 GBBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)C3=NNC(=O)C3)C2)ncc1[N+](=O)[O-] 1844223341 WZBVQZAOCJDPPS-UHFFFAOYSA-N 386.368 -0.009 5 20 GBBD O=C(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl 267433241 CQVYGSTXSMUNDD-SNVBAGLBSA-N 381.776 -0.171 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 275253757 IWDDTFMHAKKYBE-LBPRGKRZSA-N 399.381 -0.877 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 440031201 UKFLPOSZWPJLDZ-LLVKDONJSA-N 391.340 -0.305 5 20 GBBD COC(=O)CCN(C)S(=O)(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 448549508 ACLDXKROTYBOBT-UHFFFAOYSA-N 387.418 -0.149 5 20 GBBD COC(=O)[C@@H]1COCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 471485972 TYYMGQYESDMQEX-LBPRGKRZSA-N 379.325 -0.279 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 492514606 NVATXJZFYRHQET-UHFFFAOYSA-N 385.398 -0.084 5 20 GBBD C[C@@]1(C[C@@H]2CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)NC(=O)NC1=O 500168260 CIPCBBYFFAYLHR-BONVTDFDSA-N 379.377 -0.047 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1[N+](=O)[O-] 543034055 IFECINCJEWXWLJ-GFCCVEGCSA-N 384.414 -0.087 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 555374370 FZKRGTMPGYOPKQ-JUZXBQNTSA-N 396.374 -0.051 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCS(=O)(=O)CC1 573005023 ZTXVIOUSKOETEY-UHFFFAOYSA-N 377.444 -0.088 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 593405256 JXLITSYRADYBEL-SECBINFHSA-N 388.427 -0.368 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@@H]12 596498820 HKIVBCDKQYNZNA-NDMJEZRESA-N 391.427 -0.510 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 600328182 ZKBRWTPONSSMSK-UHFFFAOYSA-N 390.805 -0.262 5 20 GBBD Nc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 772987628 GLLXLFJSRVIBOA-KGLIPLIRSA-N 384.414 -0.907 5 20 GBBD NS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 914898582 PVQKSWYICKPXJC-UHFFFAOYSA-N 386.386 -0.008 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[C@H]2C1 1330499829 NLCPJRSKMRWLLS-NEPJUHHUSA-N 396.425 -0.142 5 20 GBBD O=C(Cc1cnc[nH]1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382790 XWWZMVCYNLDMBH-MRXNPFEDSA-N 389.372 -0.273 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784712133 LYEPJDNYFJPQCM-GUYCJALGSA-N 393.400 -0.342 5 20 GBBD O=C(CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CCS(=O)(=O)C1 43059690 ANXXVHTYRVJVDB-VIFPVBQESA-N 395.397 -0.106 5 20 GBBD COc1cccc([C@@]2(C)NC(=O)N(NC(=O)Cn3cnc([N+](=O)[O-])n3)C2=O)c1 267016174 IFKRPBBHQXVTLZ-OAHLLOKOSA-N 389.328 -0.307 5 20 GBBD Cc1c(NC(=O)[C@@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] 268945753 MUYKWCZWCUBUJN-NEPJUHHUSA-N 375.385 -0.127 5 20 GBBD COc1cc(CCNC(=O)C(=O)N2CCNC(=O)[C@@H]2C)c([N+](=O)[O-])cc1OC 284212241 FZUPIKRGJQISAN-JTQLQIEISA-N 394.384 -0.382 5 20 GBBD CCC[C@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(N)=O 286503067 YJTPVUUMNWKDOL-NSHDSACASA-N 387.418 -0.186 5 20 GBBD O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@H](O)C1 295757553 BRUCSQYJTGWAQV-UKRRQHHQSA-N 399.425 -0.032 5 20 GBBD NCC(F)(F)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 417329519 UJTMYFNXDKBXOI-UHFFFAOYSA-N 381.361 -0.234 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2C(=O)NC[C@H]2C1 431578553 MNKOJJORSFIKPV-NSHDSACASA-N 375.341 -0.444 5 20 GBBD CCCS(=O)(=O)NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 438833236 HBJLCGRZYAWBNQ-AWEZNQCLSA-N 375.451 -0.054 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CS(=O)(=O)CCO1 507885946 GJJGPBOFQFVIMF-JTQLQIEISA-N 380.400 -0.305 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 538929216 ZEHXRORSCUTMOD-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 594822152 KWPKGTVQAIXTTE-SCZZXKLOSA-N 380.400 -0.306 5 20 GBBD CCOC(=O)c1ccnc(N2CCOC[C@@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] 599185543 ROZXNNDRUKYUDG-JTQLQIEISA-N 388.402 -0.079 5 20 GBBD CN(CCOCCN)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 599915488 WRILDGCVWPJXIE-UHFFFAOYSA-N 389.434 -0.510 5 20 GBBD CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 600578614 SZNKAMADKIQREV-KLPPZKSPSA-N 384.414 -0.015 5 20 GBBD CN[C@@H](CC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)C(=O)O 1842951760 CWHDKRSCYBWAPI-NSHDSACASA-N 379.373 -0.197 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 267196244 MHFSXSLDGVEZOE-KGLIPLIRSA-N 387.389 -0.350 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(Cl)c1 271002260 GIJFCCDLWRSXSQ-NEPJUHHUSA-N 376.822 -0.077 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 273472281 KMIKEAUBAPZBET-SECBINFHSA-N 378.432 -0.240 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCNS(C)(=O)=O 281703223 PZHKHACRDPAHQS-UHFFFAOYSA-N 388.402 -0.013 5 20 GBBD Cn1nccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 448498990 KYCGHWITALUPKT-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 478057076 HOMQOLVEPPENNU-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC12CC(CN1)C2 595264358 VNKWBMLLKBDIDN-UHFFFAOYSA-N 383.430 -0.076 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O 595275827 APTZPUTZJNPRHG-CHWSQXEVSA-N 375.385 -0.976 5 20 GBBD C[C@H](NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 1321767895 SWJKSGFQFFVWCG-JTQLQIEISA-N 384.414 -0.220 5 20 GBBD O=C(NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc(-c2nn[nH]n2)c[nH]1 1593025015 UPJJVNWSZJBCEI-DGCLKSJQSA-N 386.372 -0.252 5 20 GBBD CS(=O)(=O)NCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 70912091 XIMOQZSQLFMLLV-UHFFFAOYSA-N 396.328 -0.200 5 20 GBBD O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 429744237 OEAPHEGCSDEGEQ-AWEZNQCLSA-N 398.441 -0.194 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](O)C1CCOCC1 531301209 SBNCSODJSWZYFH-AWEZNQCLSA-N 387.414 -0.223 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)CS(=O)(=O)c2cccs2)c1 571445781 NWRDQHNRKWSZFH-VXGBXAGGSA-N 390.443 -0.362 5 20 GBBD O=C(NC[C@H]1CCCCN1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591418568 HQHWYZUFRWVMQS-CYBMUJFWSA-N 376.417 -0.103 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3ccc(S(N)(=O)=O)cc32)n1 599234240 GFTLWFVJTNVNIN-UHFFFAOYSA-N 387.399 -0.273 5 20 GBBD O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 599413503 YETISUUJTNFAKK-JTQLQIEISA-N 390.385 -0.015 5 20 GBBD NS(=O)(=O)c1ccc(NCC(=O)OCCN2CCOCC2)c([N+](=O)[O-])c1 747383413 DVAAJDNWKIXBQQ-UHFFFAOYSA-N 388.402 -0.471 5 20 GBBD CN1CC[C@@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)S1(=O)=O 842737023 JEUDOAJSQWBVAX-JTQLQIEISA-N 381.363 -0.427 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCn1cnnn1 845802804 VSMGYXMLFCCTJH-VIFPVBQESA-N 383.390 -0.158 5 20 GBBD CC(C)(C)N1C[C@@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 1261712765 ZYAPYKHQGAVUBD-LLVKDONJSA-N 380.405 -0.329 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H](OCCN2CCOCC2)C1 1320706752 GZMZNHVIXWWCDL-CQSZACIVSA-N 380.401 -0.294 5 20 GBBD CC(C)CN1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cc(C(=O)O)c2=O)C1 1591366104 KEFPKJAYVJYIRP-CYBMUJFWSA-N 396.400 -0.072 5 20 GBBD CC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809571 BCABHGDRZHHOFU-DJIHRAIXSA-N 381.389 -0.318 5 20 GBBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)ccc1[N+](=O)[O-] 1795528979 LDDVBDLBYXLVJM-DRXBFXEBSA-N 378.385 -0.235 5 20 GBBD CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830519048 LMBGOZDHJYQINY-ZBEGNZNMSA-N 397.388 -0.841 5 20 GBBD CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O 287291945 MGGIKTIKCWAKBZ-RRFJBIMHSA-N 399.425 -0.034 5 20 GBBD CN1CC(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 294059368 ATLMFEZVTQTBQV-UHFFFAOYSA-N 389.368 -0.227 5 20 GBBD COC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCNC1 423081569 DACHCUAPZPYJOG-OAHLLOKOSA-N 386.430 -0.385 5 20 GBBD C[C@@]1(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC(=O)N1 455638572 UXPWAHCXDBNOSH-HNNXBMFYSA-N 399.429 -0.159 5 20 GBBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471326661 ILRFOBMOVJDAJI-TZMCWYRMSA-N 385.398 -0.784 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC(=O)NCC1CC1 478687999 MPHBQJOXQULTNJ-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 502478861 ORQSGXRLERTLTL-UHFFFAOYSA-N 382.402 -0.165 5 20 GBBD C[C@H](N)C[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 563537616 UDYJEVNWHIEGTR-WDEREUQCSA-N 386.430 -0.273 5 20 GBBD CN1CCN(CC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 591537524 UUFTYYQIILENFW-UHFFFAOYSA-N 399.473 -0.421 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598905193 CHGGTSZQCRJTSO-NSHDSACASA-N 385.402 -0.134 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](CO)[C@H](O)C1 811837928 KWSXZFCRAQRCJB-ZWNOBZJWSA-N 375.403 -0.044 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 1323695505 OJAPESLITXSJNS-LBPRGKRZSA-N 377.357 -0.544 5 20 GBBD C[C@@](O)(CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)O 1776462396 VYLJIAZSKZRSDD-CYBMUJFWSA-N 389.342 -0.335 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1F)C2 1794005854 QTPONFDMDWWURB-BOWTYGHESA-N 381.364 -0.261 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 274064408 PECRRLYANKIRMX-LBPRGKRZSA-N 392.411 -0.303 5 20 GBBD C[C@H]1OCC[C@@]1(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 447748021 VJLNNHPXKAQTRK-IAQYHMDHSA-N 387.414 -0.081 5 20 GBBD O=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCN1 564563826 CQFQKTDPYPCRBQ-CQSZACIVSA-N 376.417 -0.103 5 20 GBBD CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])CCO1 573211358 MVPNUWUQPVNYAJ-NSHDSACASA-N 387.370 -0.181 5 20 GBBD Cc1c(C(=O)NC[C@]2(O)CN3CCC2CC3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 573644751 CJSRHDQNAQVCQB-INIZCTEOSA-N 398.441 -0.263 5 20 GBBD COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 600013078 VBZCSTFAFHLLLI-ZJUUUORDSA-N 385.402 -0.239 5 20 GBBD CN(CC(=O)NC[C@H](O)[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 610016461 ZKPZIIPOKIADJR-FZMZJTMJSA-N 387.414 -0.271 5 20 GBBD O=CN1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 847371024 HTNKHLYGISBALZ-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD O=[N+]([O-])c1ccc([C@H](O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1319846181 SHHPNOIIAVDZHD-OAGGEKHMSA-N 385.442 -0.596 5 20 GBBD CN[C@@H](CC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)C(=O)O 1842950402 CCDOZJPCAVEOSI-VIFPVBQESA-N 380.361 -0.802 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCN(CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 20669478 RGYNLDSLUAUWED-UHFFFAOYSA-N 385.446 -0.287 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 25025207 NIWPCEXSWOHLOT-ZDUSSCGKSA-N 388.340 -0.321 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 68360230 CAJWIYSPEBJJKZ-SNVBAGLBSA-N 381.341 -0.112 5 20 GBBD COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 275536636 KRRXZIIPSVBURU-DOMZBBRYSA-N 395.368 -0.142 5 20 GBBD CCS(=O)(=O)NCCNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 298626893 ZIZUFCVRAILDMP-STQMWFEESA-N 390.418 -0.772 5 20 GBBD COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 365892493 DPWVLZZDENAKGD-CABZTGNLSA-N 391.336 -0.020 5 20 GBBD O=C(C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410674404 WXKVQRXQRVTPTF-KCQAQPDRSA-N 389.412 -0.132 5 20 GBBD COC(=O)CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 476911599 IINGEWIUPLFCKP-UHFFFAOYSA-N 392.368 -0.363 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 500667580 FFMWEYGMWWWGQL-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])C1 593315335 CQPWSHNJAUWKJE-VIFPVBQESA-N 393.399 -0.395 5 20 GBBD CO[C@](C)(CO)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 594216028 PPOPVKOZQPBYMJ-AWEZNQCLSA-N 390.418 -0.430 5 20 GBBD COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 821656906 BZNJKXBHKWXKHQ-SECBINFHSA-N 398.357 -0.663 5 20 GBBD Cn1cc(-c2nn[nH]n2)c(=O)n(C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1=O 826356231 HNJBXKBDQXOJON-SECBINFHSA-N 389.328 -0.925 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cn1nc(C)n(C)c1=O 848846350 UDPFSZUJIKENIZ-UHFFFAOYSA-N 379.329 -0.011 5 20 GBBD O=C(NCCNC(=O)C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1257519700 DZOICYDJHRSYNI-UHFFFAOYSA-N 389.412 -0.114 5 20 GBBD CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@]12CCCO2 1323669209 RMOBSTBDQYDHIW-XJKCOSOUSA-N 381.389 -0.250 5 20 GBBD CCOC(=O)N1CCN(C(=O)[C@H](C)n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CC1 1590767888 BZSPQSVPSYIGOX-VIFPVBQESA-N 393.364 -0.167 5 20 GBBD O=C(O)C(=O)N1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 1605886017 XXBUJFAQCGGFQU-ZDUSSCGKSA-N 376.325 -0.157 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)O)cc1[N+](=O)[O-] 1777110180 FVSGCQPWRPJQDI-LBPRGKRZSA-N 377.331 -0.113 5 20 GBBD CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793075668 XCPCAWLJOXAPSL-LSCVPOLPSA-N 381.389 -0.462 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2 1794004819 PBYPAJZIADSUHV-JJLQDPRZSA-N 390.356 -0.317 5 20 GBBD COC(=O)CN(CCN1CCOCC1)C(=O)CCn1cc([N+](=O)[O-])nc1C 264695790 BKKRDZONNWGMDQ-UHFFFAOYSA-N 383.405 -0.176 5 20 GBBD COCCN1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 266862237 USVLVRLMLXVFHJ-UHFFFAOYSA-N 386.430 -0.045 5 20 GBBD CNC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 270553913 ZZKVBMWHPLEHSF-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)O 275373718 YZMHCCXYUUZNFD-VIFPVBQESA-N 390.326 -0.324 5 20 GBBD C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H]1CO 297777025 LBTFHJCNMNAEPM-TZMCWYRMSA-N 377.401 -0.132 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 372673608 JGGNIBKRXOHSEO-SNVBAGLBSA-N 386.386 -0.179 5 20 GBBD Cn1ccnc1C(=O)c1ccc(N2CCN(CC(N)=O)C(=O)C2)c([N+](=O)[O-])c1 413425650 SOSVHRXKMMFRMU-UHFFFAOYSA-N 386.368 -0.307 5 20 GBBD COC(=O)[C@@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOC1 446487590 CIZDPFIXCGMEJK-MRXNPFEDSA-N 379.325 -0.232 5 20 GBBD CCN1C[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 453005621 YWQBVSHOKWBBCW-LLVKDONJSA-N 384.414 -0.048 5 20 GBBD CS(=O)(=O)C1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 456947671 GBFRVGMKOIASDS-UHFFFAOYSA-N 391.427 -0.481 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 481867401 OJUWZRUBXHUNSU-UHFFFAOYSA-N 380.390 -0.424 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCNS(=O)(=O)c1cccnc1 533464208 PTUZBVFIOAEORC-UHFFFAOYSA-N 381.370 -0.754 5 20 GBBD O=C(O)c1cn([C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)nn1 584722396 HYORMGNKQOYGIP-SNVBAGLBSA-N 376.329 -0.090 5 20 GBBD CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593562535 FUHRAOQSQSMUIE-ONGXEEELSA-N 378.432 -0.014 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCO[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] 600681172 GJHYEPDONWHMKQ-LLVKDONJSA-N 380.357 -0.564 5 20 GBBD Cc1cc(C(=O)OCCn2ccc([N+](=O)[O-])n2)nc2c1c(=O)n(C)c(=O)n2C 748129523 GKTOGMBAYIYOTQ-UHFFFAOYSA-N 388.340 -0.098 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCC[S@@](=O)Cc1ccccc1 1322863871 WTQBTVMMFXNIGG-HHHXNRCGSA-N 393.425 -0.027 5 20 GBBD CN1CC[C@@](O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1591181341 ZLSIRXVTRASJFL-CYBMUJFWSA-N 383.390 -0.880 5 20 GBBD CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])COC1 1796404108 XZNUCOIJTCSUBX-JGPRNRPPSA-N 379.373 -0.442 5 20 GBBD N[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 262011947 OFGIFHXIVRJGPD-CQSZACIVSA-N 386.430 -0.257 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCCN1CCNCC1 262512290 PAQJEGIJTVBRQH-UHFFFAOYSA-N 399.473 -0.325 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 263682190 NSFWOMHWUOOVED-CYBMUJFWSA-N 399.473 -0.375 5 20 GBBD CS(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 264541375 PZZCSRVADXGDPQ-UHFFFAOYSA-N 392.459 -0.550 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 269871725 NCECVAPVVMTHSH-SECBINFHSA-N 378.432 -0.064 5 20 GBBD CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 273351129 PEYLTZKYPJABPE-HNNXBMFYSA-N 387.458 -0.007 5 20 GBBD Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(N)c([N+](=O)[O-])c1 274689936 PKTNDOHHQSWUDJ-UONOGXRCSA-N 398.441 -0.599 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 275117616 NQURFFVICANALG-QMMMGPOBSA-N 396.374 -0.004 5 20 GBBD COC(=O)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 288755420 NTYGFIWEKDOOOE-GFCCVEGCSA-N 388.402 -0.730 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1COCCOC1 589884818 YDRHAVZTECLWII-UHFFFAOYSA-N 388.402 -0.412 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594758530 CPIKCQRDBJPCOO-OTYXRUKQSA-N 383.386 -0.011 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 594822146 KWPKGTVQAIXTTE-PSASIEDQSA-N 380.400 -0.306 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@](F)(CO)C1 619818602 NFODNAYPCGCOSE-AWEZNQCLSA-N 390.393 -0.011 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785662888 TYPIOJYQELYQCH-CYBMUJFWSA-N 381.389 -0.485 5 20 GBBD C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@@H]1CN(C)CCO1 824641804 ZDNLTRWOMCRIOP-KOLCDFICSA-N 397.417 -0.228 5 20 GBBD CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)C1 833688785 ZOQCHQNVBGXCBP-UHFFFAOYSA-N 387.370 -0.229 5 20 GBBD CON(C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 853479977 AXISNQMLFFWYIV-UHFFFAOYSA-N 375.407 -0.335 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1118123206 KNFYASNOBQBEFH-ABAIWWIYSA-N 378.385 -0.241 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 1603335676 SGNWTJWNEWSCAE-UHFFFAOYSA-N 388.388 -0.052 5 20 GBBD CN1CC(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)C1 1784778724 GDAXIFBKFILHEQ-KRWDZBQOSA-N 392.416 -0.817 5 20 GBBD COCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CC1 1793337273 XVXXQOHHVXJGRD-PTEHBNRSSA-N 393.400 -0.052 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1)c1n[nH]cc1[N+](=O)[O-] 1799920221 HTLVMWFGYLCOHF-OSUNSFLBSA-N 378.389 -0.708 5 20 GBBD CN(C)CCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824116 FCZURPSATXJELP-UHFFFAOYSA-N 391.428 -0.088 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C(N)=O)C2)cc1OC 50855157 ZCOFZLJYNJMLQO-CQSZACIVSA-N 383.357 -0.045 5 20 GBBD O=C(CN1CCN(CCO)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 71793228 XEVCGGTUJLSVQY-UHFFFAOYSA-N 377.445 -0.147 5 20 GBBD Cn1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O 93608145 NGNGIAWAGLCBGT-UHFFFAOYSA-N 387.396 -0.050 5 20 GBBD CS(=O)(=O)NCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 263985042 HRJYWLTXWLSQMR-UHFFFAOYSA-N 381.388 -0.807 5 20 GBBD CN(CCCNC(=O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O)S(C)(=O)=O 268623016 ZRDJPZGPEYICBD-UHFFFAOYSA-N 380.810 -0.192 5 20 GBBD CS(=O)(=O)NCCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273317753 OPPQJILMLYAPPH-UHFFFAOYSA-N 394.431 -0.783 5 20 GBBD CCNC(=O)[C@@H](C)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299628874 KUEPLNGKRFZBTH-SECBINFHSA-N 387.418 -0.315 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCNC(=O)C1 421993952 SFOKBUFXURJWIU-NSHDSACASA-N 384.414 -0.142 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 472553573 HBSRKXPLTQYANX-UHFFFAOYSA-N 381.364 -0.047 5 20 GBBD CN(CC(=O)N[C@H]1CC[S@@](=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 474940155 CPEZHMTXPLYIGV-SDWAUSNYSA-N 375.428 -0.148 5 20 GBBD Cc1c(C(=O)N2CC[C@H](S(N)(=O)=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 534493886 VPDMVMUOXNGBEQ-LBPRGKRZSA-N 380.386 -0.013 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)O 548586645 ZTSPMAHQYQMAPP-KLVQOETNSA-N 378.384 -0.190 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 598027665 LWDDXVRCZAMOBK-VXGBXAGGSA-N 392.411 -0.460 5 20 GBBD CNS(=O)(=O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 598584765 UYLPSZLEPOWZJJ-UHFFFAOYSA-N 392.459 -0.550 5 20 GBBD CS(=O)(=O)NCCOC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 732502299 QPNKLORSONUECJ-VIFPVBQESA-N 375.359 -0.115 5 20 GBBD Cn1ncc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 805998533 SDAUVDGXPGIVSL-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD COCC(=O)NC1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1116998557 CMWATFXAHDPOED-UHFFFAOYSA-N 378.385 -0.035 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1323362594 RYJQVFYEOCQOEI-GFCCVEGCSA-N 398.441 -0.349 5 20 GBBD O=C(CN1C(=O)CNC1=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1324389093 VJLGMRBYBMZDFO-UHFFFAOYSA-N 375.341 -0.569 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(Cc2ccncc2)CC1 1327322732 PBFZRKKVCZAZIW-UHFFFAOYSA-N 387.400 -0.353 5 20 GBBD CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](CO)C1 1591193743 HPNQTWNAGZNILI-SECBINFHSA-N 383.390 -0.928 5 20 GBBD O=C(O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 1602199237 GYCUUTZNVBYFIR-RYUDHWBXSA-N 376.325 -0.257 5 20 GBBD COCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009009 XPJZLEQVKRRRSE-GNXNZQSNSA-N 381.389 -0.052 5 20 GBBD C[C@H](CN)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842870780 KVLUGPVDUSQDPG-GFCCVEGCSA-N 377.401 -0.445 5 20 GBBD O=C1[C@@H]2COCCN2C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 272133054 VEQRKQJEZXKCTD-LBPRGKRZSA-N 384.370 -0.464 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 287491149 YEKCVPCBPGARBH-WCQYABFASA-N 386.430 -0.019 5 20 GBBD CN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O 287627500 PCLQHKQVAGFTHB-VXGBXAGGSA-N 388.402 -0.726 5 20 GBBD NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 321982992 MYICQPPQBOAGPV-UHFFFAOYSA-N 384.823 -0.242 5 20 GBBD CCN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 455395464 ALSVMBOCWRNNOX-NSHDSACASA-N 399.429 -0.207 5 20 GBBD O=C(NCC(=O)N1CCN(C(=O)CO)CC1)c1c(Cl)cccc1[N+](=O)[O-] 497438210 IYQZIYYSAASWCG-UHFFFAOYSA-N 384.776 -0.359 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 509941258 HWWSWFYAMUMCRU-LLVKDONJSA-N 398.397 -0.400 5 20 GBBD NC(=O)CN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 531838794 AHNLGOKGOWEVDK-UHFFFAOYSA-N 383.792 -0.393 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1(CO)CCOCC1 545501990 TTZCURXCRGKICP-UHFFFAOYSA-N 387.414 -0.079 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(=O)NCCN1CCOCC1 560599634 WYAZYFSXYHBIEK-UHFFFAOYSA-N 386.430 -0.370 5 20 GBBD COC(=O)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC 561973129 NLFAEQXVKFCJLP-LBPRGKRZSA-N 389.386 -0.433 5 20 GBBD O=[N+]([O-])c1ccc(OCCNS(=O)(=O)N2CCS(=O)(=O)CC2)cc1 609597494 OEZNDSYGZPMTMY-UHFFFAOYSA-N 379.416 -0.462 5 20 GBBD CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 612631348 BLHQTJVNUOFCNY-SNVBAGLBSA-N 376.343 -0.416 5 20 GBBD CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 820966643 FTKULMKTLGJMTO-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD CN(C)CCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1117832295 JMLVWTAYKYOAAC-UHFFFAOYSA-N 391.428 -0.101 5 20 GBBD CN(CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Cc1cnn[nH]1 1576799458 HKUSNXQOQISSDT-HUUCEWRRSA-N 393.448 -0.211 5 20 GBBD CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCC1=O 1604867136 QAXZURRPBWJPRL-UHFFFAOYSA-N 381.374 -0.372 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2)c1nc[nH]c1[N+](=O)[O-] 1796404023 BYBVINRWFGWYIP-QOHPJAFVSA-N 391.384 -0.587 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010650 DRRPGYFWSZPAKJ-WDAIWFPHSA-N 389.372 -0.513 5 20 GBBD CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 29334848 UQTBYSZATCNGNZ-UHFFFAOYSA-N 391.428 -0.005 5 20 GBBD C[C@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 130277200 WLXXEHSRGXECPR-GDBMZVCRSA-N 380.449 -0.219 5 20 GBBD O=C(C[C@@H]1NC(=O)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O)N1CCOCC1 269675394 OYYKKUFKOISULZ-KBPBESRZSA-N 392.368 -0.203 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 269850867 FUSCUSKYDIWURC-VIFPVBQESA-N 378.432 -0.064 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 273556788 MWFFQGIJDKXCFI-ONGXEEELSA-N 387.370 -0.307 5 20 GBBD CS(=O)(=O)[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 281993773 BMYRSVLCOCRMGH-SECBINFHSA-N 381.366 -0.164 5 20 GBBD CCN1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 367721507 HKBXKWVLYFKYJZ-CQSZACIVSA-N 386.430 -0.290 5 20 GBBD CN1CCO[C@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 468289857 PPAFPBDZKVXKFW-AWEZNQCLSA-N 386.430 -0.143 5 20 GBBD O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(CCO)CCN1CCOCC1 496164083 CAZIQBIIHSOZSK-UHFFFAOYSA-N 390.400 -0.058 5 20 GBBD CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 522479446 ZRBOVLXLZGQFIX-UHFFFAOYSA-N 379.417 -0.185 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)c([N+](=O)[O-])n1 532853590 KDTIIYRZEONHET-SECBINFHSA-N 381.436 -0.487 5 20 GBBD CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 565780249 WRNJVGDNTOAPEI-SWLSCSKDSA-N 388.384 0.048 5 20 GBBD O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 599413504 YETISUUJTNFAKK-SNVBAGLBSA-N 390.385 -0.015 5 20 GBBD Cc1nn(C)c(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1[N+](=O)[O-] 609507760 QTTWFCDVJYCWJE-NSHDSACASA-N 389.434 -0.145 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 614817282 DJRYFCHPXOXWSU-SECBINFHSA-N 378.432 -0.240 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 919507617 OVPCKZKCDLWXEV-UHFFFAOYSA-N 386.748 -0.018 5 20 GBBD O=C(NCCN1CCCC1=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1261542765 UWFIANSTYMWYEO-UHFFFAOYSA-N 376.369 -0.077 5 20 GBBD O=C(COC(=O)C1(CO)COC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1321118556 FQIGTMRILNZFPL-UHFFFAOYSA-N 379.369 -0.205 5 20 GBBD O=C(c1nc[nH]n1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379423 KXGBTQZBNYSPCN-CQSZACIVSA-N 376.333 -0.807 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2)c1ccc([N+](=O)[O-])[nH]1 1798746429 GIPJCKJOUBMGGE-HZEHYSCASA-N 378.385 -0.103 5 20 GBBD CN(CC(=O)NCCN1C(=O)CCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265613319 CRASARGAGGCOMT-UHFFFAOYSA-N 398.397 -0.520 5 20 GBBD CC(CO)(CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 267614866 KLGMYWYVYPHQPW-UHFFFAOYSA-N 375.403 -0.229 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 276033846 LQNZIGPBIPQADO-CYBMUJFWSA-N 396.400 -0.307 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 276511556 RHIIDQYNJCCCMN-HUUCEWRRSA-N 383.426 -0.181 5 20 GBBD Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 285275237 MZDWMJCDHHZEQI-TZMCWYRMSA-N 398.397 -0.595 5 20 GBBD CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 297654714 BISDKAKKFYNORN-LLVKDONJSA-N 398.397 -0.005 5 20 GBBD CCC[C@H](O)[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 412537723 RXRCFGWKMQVMAK-KGLIPLIRSA-N 389.430 -0.147 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(CCO)CC1 445734219 PJIMKNUUBAMYLG-UHFFFAOYSA-N 386.430 -0.600 5 20 GBBD CN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 481535354 APHMCTUQJLPOKI-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 494243978 FPPNMZGHNDUONT-UHFFFAOYSA-N 380.386 -0.203 5 20 GBBD CS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 506113346 NHDKBOULHQHPNG-UHFFFAOYSA-N 391.427 -0.528 5 20 GBBD CO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](CN)C1 570928502 JZYDHKRIDFKJKF-NWDGAFQWSA-N 386.430 -0.162 5 20 GBBD CN(CC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] 610291092 FEWAQOBGYKJPBJ-UHFFFAOYSA-N 399.473 -0.276 5 20 GBBD CCN1CCN(CC(=O)Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C(=O)C1=O 764860636 GZRNODIWWVBYMY-UHFFFAOYSA-N 379.325 -0.023 5 20 GBBD COC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 778036929 GKYZPLCTIYFSIW-NSHDSACASA-N 389.342 -0.636 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCN1CCOCC1=O 785283379 MBKPOSXXFGUVNA-UHFFFAOYSA-N 377.309 -0.407 5 20 GBBD CCOC(=O)Cc1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 825808418 VYZFDLYIVRHHFO-GFCCVEGCSA-N 376.369 -0.153 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)CN2CC(=O)N(C)C2=O)cccc1[N+](=O)[O-] 860830951 KTWDPEMZLGKAHV-UHFFFAOYSA-N 384.370 -0.257 5 20 GBBD C[C@@H](NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 1322925075 BEHJRPRJXVCNLQ-DOMZBBRYSA-N 380.401 -0.075 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H]1CCNC1=O 1345002531 XHHOGPWWIHLSHM-ZDUSSCGKSA-N 390.400 -0.625 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1591022655 FQUZPUFWIVEDBS-UHFFFAOYSA-N 382.406 -0.297 5 20 GBBD COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCO1 1591256011 YLAONXQJRLGNKQ-JTQLQIEISA-N 398.357 -0.663 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCOC2(CCS(=O)(=O)CC2)C1 1607077502 XPGHZBPTVQBTOI-UHFFFAOYSA-N 395.401 -0.046 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cn[nH]c1 1796569896 FDTYSVSBGVZALQ-JJLQDPRZSA-N 389.372 -0.582 5 20 GBBD COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1801201108 WHUJNBPMPGSNKO-WDAIWFPHSA-N 396.356 -0.253 5 20 GBBD NS(=O)(=O)CCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 68455419 GOBWOCNRAJOXAR-UHFFFAOYSA-N 392.459 -0.420 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 265394253 UWGPPYLIQWIOLS-ZDUSSCGKSA-N 399.473 -0.375 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 278608809 AYURJODONWHITN-AWEZNQCLSA-N 383.386 -0.319 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 363294867 SNVPUJHYKAETKD-NSHDSACASA-N 399.429 -0.207 5 20 GBBD N[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 423646071 PFJKIUYJHLZXHY-CYBMUJFWSA-N 389.412 -0.171 5 20 GBBD O=C1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N1 434084520 JMKUHKVYSWYDAN-LLVKDONJSA-N 399.429 -0.159 5 20 GBBD C[C@H]1CCNC(=O)[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 443052676 TXSOMJSJDJWRBD-HZMBPMFUSA-N 384.414 -0.096 5 20 GBBD O=C(NCc1nc(O)n[nH]1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 480500927 SDIBUVDQJNAKLO-LLVKDONJSA-N 396.385 -0.112 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])C1 593316499 PPOKMWIWDKLGDP-SECBINFHSA-N 393.399 -0.395 5 20 GBBD CN(Cc1cn(C)nn1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 596311024 GICWOQOSCPSDOO-UHFFFAOYSA-N 397.417 -0.157 5 20 GBBD CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 599455371 NQCZWNNLLFKVJT-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 815974292 BTPZHBMLSBPOHA-PHIMTYICSA-N 394.365 -0.254 5 20 GBBD CNCCCc1[nH]nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1-c1nn[nH]n1 826077456 IQXAYUNALQBRKB-UHFFFAOYSA-N 389.380 -0.125 5 20 GBBD NC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)o1 917445860 OVMDVDDBXDBMHN-UHFFFAOYSA-N 384.374 -0.553 5 20 GBBD CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 1117561899 GNQPACLGGNBCEG-KBPBESRZSA-N 395.416 -0.314 5 20 GBBD CN(CCNS(C)(=O)=O)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 1318492917 LJYSWDVVZXKOIC-UHFFFAOYSA-N 392.821 -0.014 5 20 GBBD COC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1606362874 YNCZCHLIRRZDQU-HFOBELJZSA-N 379.325 -0.380 5 20 GBBD CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378004 ABAFVLVWXCEKRR-CZUORRHYSA-N 381.389 -0.222 5 20 GBBD C/C(=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-])C(=O)O 1796404471 UIOUQICQBFSZMB-JOYDPBAWSA-N 393.356 -0.448 5 20 GBBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1)C(O)O 1814707520 RWRCOIGQZWRBKK-NSHDSACASA-N 393.360 -0.483 5 20 GBBD COC[C@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 280116820 VNMLJPOFWHRZER-VIFPVBQESA-N 376.391 -0.832 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](O)C1 298082916 GYSKXUFDEWOLFT-BZPMIXESSA-N 399.425 -0.298 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CN2CCCN1CC2 360826879 BIEDDYCYFMPMLK-AWEZNQCLSA-N 397.457 -0.621 5 20 GBBD NC[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 417676953 GPKLZKLPZKYYRW-LLVKDONJSA-N 387.418 -0.758 5 20 GBBD CN(CCC(=O)O)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 422846597 QDFNIQHUCLYJNO-UHFFFAOYSA-N 392.368 -0.188 5 20 GBBD CN1C(=O)CC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O 425218192 CURMHOKQRWFFDJ-QMMMGPOBSA-N 385.354 -0.208 5 20 GBBD COc1c(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] 475604877 QBMFJUCJGAWFKP-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 486022618 FTMWBOLLOJCEIV-XXFAHNHDSA-N 380.357 -0.687 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O 517395917 VHFQTBRDLOHHGM-UTUOFQBUSA-N 391.384 -0.437 5 20 GBBD O=C(Cn1cnnc1O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 542940523 CMXDBUNXDSWMIZ-UHFFFAOYSA-N 396.385 -0.575 5 20 GBBD O=C(NCCN1CCCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 582853828 MQSVDGZSFRZIJX-UHFFFAOYSA-N 390.400 -0.623 5 20 GBBD O=C(NCC1(CO)CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611654942 JKAGPGUQJAGSGF-YPMHNXCESA-N 399.425 -0.393 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)[C@H]1CCOC1 733720763 GUOOVBLHLFZULF-JTQLQIEISA-N 385.354 -0.445 5 20 GBBD Cn1c(=O)c2c(ncn2CCC(=O)OCCn2cc([N+](=O)[O-])cn2)n(C)c1=O 748109153 ORPDIRFSFJTCLM-UHFFFAOYSA-N 391.344 -0.828 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 757734699 ZPTJUSVQRBJKJC-UHFFFAOYSA-N 386.434 -0.084 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN1CCN(S(C)(=O)=O)CC1 765967046 MTRAIMHSDOYYEG-UHFFFAOYSA-N 375.407 -0.780 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@@]2(CO)C1 782946905 VNACFTLCQFIXJE-NHYWBVRUSA-N 384.414 -0.103 5 20 GBBD O=C(O)COCCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 790614865 GBHQTJZESMXSOR-UHFFFAOYSA-N 389.342 -0.069 5 20 GBBD CN(C)CCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1576752765 WCZCCMPCSRLGAK-HUUCEWRRSA-N 393.448 -0.259 5 20 GBBD COCCNC(=O)CN1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1605106513 ZTAGUFTWSMMOOI-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477017 WVNDILYCJWDNLC-SRVKXCTJSA-N 391.384 -0.110 5 20 GBBD CN(C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794275681 NOEBREPLNPPOFQ-ZSBIGDGJSA-N 378.389 -0.482 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1842942417 BFPALPIGMMZHSO-JTQLQIEISA-N 379.373 -0.402 5 20 GBBD CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844229879 CVRUJEDDTFDPOA-SNVBAGLBSA-N 393.404 -0.158 5 20 GBBD C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)CC1 264100353 FNGRIBDKQYDVCM-LLVKDONJSA-N 384.414 -0.232 5 20 GBBD O=C1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 264328287 WAQRUIKGFKJOGU-UHFFFAOYSA-N 385.402 -0.595 5 20 GBBD Cc1[nH]nc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1[N+](=O)[O-] 264756498 NIGSFUHDZMAILD-JTQLQIEISA-N 375.407 -0.155 5 20 GBBD COC[C@H](CCO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 265815820 MCAMGKJUSJZTBD-NSHDSACASA-N 390.418 -0.430 5 20 GBBD NC(=O)c1ccc(SCC(=O)NCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 271975370 IMKLBBVGVUNPFY-UHFFFAOYSA-N 382.398 -0.239 5 20 GBBD O=C(C(=O)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)N1CCOCC1 273025155 CJTQBEYEQGPKDK-UHFFFAOYSA-N 394.413 -0.189 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 276181883 APENOEHTSLMNSL-OCCSQVGLSA-N 385.398 -0.784 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 281124279 HZHRGDOHMCZMEN-UHFFFAOYSA-N 396.422 -0.059 5 20 GBBD CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CC(=O)NC1=O 502526277 NIRIGHKUTKLRAH-LLVKDONJSA-N 376.325 -0.416 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 511102087 QOIVFKCHUNHUGB-CYBMUJFWSA-N 384.414 -0.006 5 20 GBBD C[C@H](CNC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)S(C)(=O)=O 564238089 HRFVHYIBZUDLOW-MRVPVSSYSA-N 383.386 -0.363 5 20 GBBD CCN1CCN(C(=O)CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 571050194 OKXRVADFCROTKA-UHFFFAOYSA-N 398.441 -0.108 5 20 GBBD O=C(CN1C(=O)N[C@@]2(CCCNC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 579588305 IPANTYWEBGYICC-MRXNPFEDSA-N 391.340 -0.064 5 20 GBBD NC(=O)C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 588931478 HDPZVKJSTXJVMB-LLVKDONJSA-N 384.414 -0.013 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596150335 AFRMINGWUSLBPW-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] 597631515 KLEANSXBUXYMLJ-CYBMUJFWSA-N 395.368 -0.120 5 20 GBBD NS(=O)(=O)c1ccc(NCC(=O)OCCC2OCCO2)c([N+](=O)[O-])c1 781152560 MFNUHASXDNGFFX-UHFFFAOYSA-N 375.359 -0.040 5 20 GBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 809838452 YNAIJZJEUBSTPU-MRVPVSSYSA-N 382.192 -0.258 5 20 GBBD COCCCNC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8632896 BMPHDVVSMNXSOS-UHFFFAOYSA-N 379.325 -0.113 5 20 GBBD O=C(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 32438270 NVTBBYVOJQWYIK-JTQLQIEISA-N 391.427 -0.434 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCN1CCNCC1 262089107 AKDRSXQOOAMVTA-UHFFFAOYSA-N 377.401 -0.268 5 20 GBBD Cc1nnnn1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 268243068 DUHSYDITNCBSEF-UHFFFAOYSA-N 395.401 -0.577 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1[N+](=O)[O-] 269048967 ZROZSOWREMKALA-UHFFFAOYSA-N 397.417 -0.185 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 273421063 DJWXTZVQHYKBIN-SECBINFHSA-N 396.422 -0.072 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCNC(=O)C1 276376913 PPFDOOKSQQJOHX-UHFFFAOYSA-N 386.386 -0.909 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@H](O)C[C@H]1CO 372654352 PZILVTBABUOCGT-VHSXEESVSA-N 381.341 -0.351 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 372740845 NKPOERZKDNXPRE-UHFFFAOYSA-N 391.344 -0.030 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cn(CC(=O)O)nn1 439715385 FAPTVMBQTAHDOJ-SECBINFHSA-N 376.329 -0.294 5 20 GBBD Cc1c(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 447698913 FCYLPZHRBSXSEI-OAHLLOKOSA-N 382.398 -0.097 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 564458535 GJTCAYTVHGVPNW-UHFFFAOYSA-N 386.386 -0.779 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)CC1 584170937 SRIXEWRIQOSWDV-UHFFFAOYSA-N 393.399 -0.441 5 20 GBBD C[C@@H]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CS1(=O)=O 598185621 OMBSPURNJRLEHZ-SCZZXKLOSA-N 391.427 -0.062 5 20 GBBD COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 600326028 IURMTPNGXYXOPG-GHMZBOCLSA-N 381.341 -0.290 5 20 GBBD O=C(OCCN1C(=O)CNC1=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 733558465 NMAIRHLXQHMFTC-VIFPVBQESA-N 380.313 -0.113 5 20 GBBD O=C(CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)O[C@H]1CCNC1=O 769964251 INKFWSSUZWMABB-JTQLQIEISA-N 377.762 -0.042 5 20 GBBD COC(=O)C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 778305587 PDMKNYHJJSFCQD-SECBINFHSA-N 388.354 -0.063 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821623412 LDKZSRZTWGGUJZ-GFCCVEGCSA-N 387.404 -0.087 5 20 GBBD COC[C@](C)(NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)O 831617822 ULVVZRGEFJMWID-ZDUSSCGKSA-N 375.359 -0.230 5 20 GBBD COC(=O)C1=NOC2(CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CC2)C1 859111925 XFYVSXKUUHLALZ-UHFFFAOYSA-N 387.374 -0.199 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 863344863 NNFJBIBJAYBIHZ-UHFFFAOYSA-N 382.402 -0.271 5 20 GBBD CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)O)C1 1598607627 RKECCLNFIAQRGL-ZDUSSCGKSA-N 393.400 -0.131 5 20 GBBD O=C(CN(CCO)CCO)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847170159 AHUZBTZLQRIOMB-STQMWFEESA-N 396.400 -0.710 5 20 GBBD CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16519666 YKRWDWXBVWVXLJ-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD CCS(=O)(=O)NCCNc1ccc(C(=O)NCC(=O)OC)cc1[N+](=O)[O-] 263707756 MQBYPDOANTZYBF-UHFFFAOYSA-N 388.402 -0.151 5 20 GBBD COCCS(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 265841939 ZWYHWRWJDSMUBZ-UHFFFAOYSA-N 399.425 -0.060 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCc2nncn2C1 366595901 WPQFNQSWHYQHAZ-NSHDSACASA-N 394.413 -0.157 5 20 GBBD CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 451524314 CKCIWNXQMXBTCB-UHFFFAOYSA-N 386.839 -0.078 5 20 GBBD COC(=O)[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 485501515 WNQZTGMKPJQQNZ-CQSZACIVSA-N 389.386 -0.697 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 485754485 ZZAXUJOZPYQHDG-LBPRGKRZSA-N 378.341 -0.240 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 512136018 OZVHMMAFKUCJKR-ZWNOBZJWSA-N 385.398 -0.357 5 20 GBBD C[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N1CCOCC1 520141799 BAVDBBWWYSSDSN-JTQLQIEISA-N 390.352 -0.446 5 20 GBBD O=C(NCCN1CCCC1=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 569938341 XRSVTBNACGRVIU-UHFFFAOYSA-N 389.412 -0.018 5 20 GBBD COCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 586850483 JDUNVMXTTQCEFT-UHFFFAOYSA-N 394.432 -0.667 5 20 GBBD NC[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 595931806 YLMVZRRNGFQLTO-HUUCEWRRSA-N 398.441 -0.209 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 598030284 UEXIBLVLTKHZPG-GXSJLCMTSA-N 397.365 -0.881 5 20 GBBD C[C@H](C(=O)N[C@]1(C(=O)O)CCOC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 825993987 BQXAKIAYZWSXNR-VPTHRUTESA-N 377.309 -0.061 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(N2CCS(=O)(=O)CC2)CC1 1319914060 SYDSFBNWOLVPEO-UHFFFAOYSA-N 385.446 -0.097 5 20 GBBD Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1320785849 DSNLAAJSPIOOLK-SRGMZFCMSA-N 379.398 -0.178 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1793999913 FHRHDZZAXYYLMV-GNXNZQSNSA-N 389.372 -0.582 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ncon1 1798351212 IZQQEPHEHIMNTJ-DIYOJNKTSA-N 377.317 -0.782 5 20 GBBD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 1842000302 KSZIXCJEMIBKGQ-NSHDSACASA-N 376.373 -0.869 5 20 GBBD COc1cc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)ccc1[N+](=O)[O-] 1843349979 PCCYPVSDKQZSJW-ZDUSSCGKSA-N 391.428 -0.365 5 20 GBBD CCOC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 31810861 INKSYRTVMMFXBE-UHFFFAOYSA-N 381.345 -0.844 5 20 GBBD C[C@@H](Cn1cncn1)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 263682293 DXJPKBQCGOWGGW-NSHDSACASA-N 397.417 -0.148 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 265319768 HVCZLFZXVCZDDU-JQWIXIFHSA-N 384.414 -0.137 5 20 GBBD CNC(=O)N1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 267226546 OTIFDVPARZYJBW-UHFFFAOYSA-N 379.373 -0.183 5 20 GBBD COC[C@H](CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OC 272689744 CDTONTGJZVLMKT-LBPRGKRZSA-N 390.418 -0.166 5 20 GBBD CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CCO1 273476496 FRVIBYXAEPMIDD-LLVKDONJSA-N 387.370 -0.483 5 20 GBBD CC(C)[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 274389277 NXDMKSRDIRHJMN-GFCCVEGCSA-N 387.418 -0.318 5 20 GBBD CO[C@H](C)CS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 282333215 WXEMEZGILKMQGE-SNVBAGLBSA-N 381.432 -0.173 5 20 GBBD CN(C)S(=O)(=O)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 289823048 JGZXJTUEHJCKSR-UHFFFAOYSA-N 395.415 -0.464 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 378534850 PPPFIITZJFDYFY-LBPRGKRZSA-N 399.429 -0.281 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 429746896 IPLONUDMFOLXBE-NSHDSACASA-N 399.429 -0.255 5 20 GBBD Cc1nc(N2C[C@H](C)O[C@H](CO)C2)nc(N2C[C@H](C)O[C@H](CO)C2)c1[N+](=O)[O-] 468736058 FPWLMJTXTUGKEL-IMIFBBOLSA-N 397.432 -0.135 5 20 GBBD Cc1c(C(=O)N[C@@H](C)C(=O)NCCF)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 504517976 BCIYQGFUBXXPBJ-QMMMGPOBSA-N 376.366 -0.245 5 20 GBBD O=C(NCCN1CCCC1=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 572131837 PHPWNGPHFLJFMR-UHFFFAOYSA-N 389.412 -0.018 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 575130044 IMPPCQJAYCXPTP-SECBINFHSA-N 386.386 -0.308 5 20 GBBD O=C(NCC(=O)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@@H]21)c1cccc([N+](=O)[O-])c1 590541083 BWCWLDXUOAOKIN-UDBWOWTPSA-N 387.392 -0.088 5 20 GBBD CC(C)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C1 772063006 YXAQNSDSDYIGRP-SKDRFNHKSA-N 388.402 -0.187 5 20 GBBD COCC1(S(=O)(=O)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 811153396 FCERBYHJXOCJCJ-UHFFFAOYSA-N 399.381 -0.055 5 20 GBBD CC(C)(O)CONC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 824233322 KGZPRQDKBRIDQD-UHFFFAOYSA-N 376.391 -0.125 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 826362903 NPPTTWXBQGDOFU-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)[C@H]1CCN(C)S1(=O)=O 842777283 BMNNERXKOUVOTJ-LLVKDONJSA-N 377.400 -0.258 5 20 GBBD NC(=O)CN1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 880194971 GHYKDTYMZKDPQQ-UHFFFAOYSA-N 391.384 -0.614 5 20 GBBD CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 1326624783 VROUPKLJYALKAR-CYBMUJFWSA-N 393.448 -0.808 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784719194 DYMWUVDSVFXBSJ-MEDUHNTESA-N 379.373 -0.202 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1796337802 LIAGFPBFMMNAQI-QVOFMSMSSA-N 393.400 -0.923 5 20 GBBD C[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1801956096 ADEOAXVEZBHSPB-RVMXOQNASA-N 378.385 -0.225 5 20 GBBD NC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827582099 QFRDTPAZICTMJG-QWHCGFSZSA-N 393.448 -0.163 5 20 GBBD COc1cc(C(=O)N2CC3(CCCN3C(=O)C(O)O)C2)c([N+](=O)[O-])cc1O 1841235885 IKAZYUGSRHNHLG-UHFFFAOYSA-N 381.341 -0.563 5 20 GBBD N[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 261824838 PPYWRGQQLMQKNS-CQSZACIVSA-N 386.430 -0.257 5 20 GBBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCN1C(=O)CNC1=O 264973684 ODQFRRISJVHJEW-UHFFFAOYSA-N 391.340 -0.049 5 20 GBBD NC(=O)N[C@@H]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 270637889 HLMRHECUKXHMTN-LLVKDONJSA-N 399.429 -0.137 5 20 GBBD O=C1[C@H]2COCCN2C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 272134539 KWSWROPPQYEXHH-LLVKDONJSA-N 384.370 -0.464 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 446514283 KEXXFULOHRWMKF-GFCCVEGCSA-N 385.398 -0.150 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c([N+](=O)[O-])c1 516785376 JIYFMXNJKXUIKD-LBPRGKRZSA-N 380.400 -0.569 5 20 GBBD Cn1nc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1=O 523889679 WLSSHKAOCNLCHF-UHFFFAOYSA-N 381.370 -0.603 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 582364071 ULSGQOBMYHHJOE-NSHDSACASA-N 380.386 -0.061 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N1 599525551 JWPUOYKHWQQBRA-MNOVXSKESA-N 384.414 -0.096 5 20 GBBD CN(CC(=O)OCCn1cnc([N+](=O)[O-])n1)C1=NS(=O)(=O)c2ccccc21 749080811 UAURHFNWZWPXQE-UHFFFAOYSA-N 394.369 -0.190 5 20 GBBD C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825006633 MTJQCRHPSJRYPK-IUCAKERBSA-N 384.374 -0.455 5 20 GBBD O=C(c1ncon1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779870809 VXVRPHJOGMKTAE-CQSZACIVSA-N 377.317 -0.542 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ccnnc1 1794671150 ABYGXOBYZAWQAN-ZSBIGDGJSA-N 387.356 -0.375 5 20 GBBD NCC(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1807028972 LHYXLOJBHIZPEC-GUYCJALGSA-N 387.400 -0.149 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1841616967 QXUDHNYNEVZLRZ-SNVBAGLBSA-N 399.429 -0.184 5 20 GBBD CC(C)(CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(C)(=O)=O 68190542 ADIVMPSXCUOJSA-UHFFFAOYSA-N 398.397 -0.365 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)NCCc1ccccc1[N+](=O)[O-])c(=O)n2C 266072247 UDBBUGPGUFYGQJ-UHFFFAOYSA-N 386.368 -0.299 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1[N+](=O)[O-] 272817167 CNPNMUODWJETGM-JTQLQIEISA-N 380.357 -0.407 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273385492 RQYUDWACBDMRQX-UHFFFAOYSA-N 396.385 -0.375 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCO1 422990274 NBSQOAJMQZFDAR-CQSZACIVSA-N 391.428 -0.180 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424368596 QCJWKGCTJLMVMF-NSHDSACASA-N 394.383 -0.524 5 20 GBBD CC(C)c1[nH]nc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 433945253 DQHZLFNWYXXJCU-SECBINFHSA-N 387.418 -0.183 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H](CO)O1 460011494 IQIJDTPWUCXFRS-XJKSGUPXSA-N 392.412 -0.148 5 20 GBBD COCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(N)=O 469363659 POLVIXTTWIIBRJ-SNVBAGLBSA-N 375.359 -0.450 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1CCNC(=O)C1 495466034 CCQUOQAEEIRVGG-LBPRGKRZSA-N 381.437 -0.235 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)CC1 503113304 FVDAOKANELABEN-UHFFFAOYSA-N 391.427 -0.480 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 521843381 LAOBKGMOOKUTSM-KGLIPLIRSA-N 387.389 -0.039 5 20 GBBD NC(=O)N[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 535711241 AHKLVPUFESFCMK-JTQLQIEISA-N 385.402 -0.468 5 20 GBBD COC(=O)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OC 561973612 DBJYPZOQBWOTGF-GFCCVEGCSA-N 389.386 -0.433 5 20 GBBD CN1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H](CN)C1 578625609 WHPWLEUWYQLEHZ-LLVKDONJSA-N 375.389 -0.811 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)Nc1ccn(C)n1 597572823 SZBSGKFAEPRPMW-SNVBAGLBSA-N 378.393 0.316 5 20 GBBD CCOC(=O)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCOC1 599272108 PIORAEQYBMDFJY-MWLCHTKSSA-N 376.391 -0.035 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)nc1 599413123 SZYPGOJBQKWTDD-JTQLQIEISA-N 390.385 -0.015 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 600033362 XMJBLHPYOCJFKI-UHFFFAOYSA-N 376.778 -0.053 5 20 GBBD CNS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 600665981 VUXZPFVIGPPRDN-JTQLQIEISA-N 388.402 -0.152 5 20 GBBD CNS(=O)(=O)N1CCC(C(=O)OCCn2c([N+](=O)[O-])cnc2C)CC1 796841546 SVZYFYLAZCPKKZ-UHFFFAOYSA-N 375.407 -0.181 5 20 GBBD CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1117564083 CYNKGYYJWUTMBC-UHFFFAOYSA-N 396.448 -0.276 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCN(c2ncccc2F)C1 1329684383 WTTXSNOBVDSNBQ-NSHDSACASA-N 391.363 -0.163 5 20 GBBD Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1592589034 PXAKAIFCFKZWPE-UHFFFAOYSA-N 386.376 -0.206 5 20 GBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)=NN1 1797677367 BSTHLLLYGJXPPL-ICCCGROCSA-N 391.340 -0.733 5 20 GBBD CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1844158667 IBDJFDZKMSEMNH-LBPRGKRZSA-N 395.372 -0.196 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066746 WNNGRXPNPPQYHB-GJZGRUSLSA-N 390.396 -0.160 5 20 GBBD CO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825401 XSGQQOJJHCFICJ-GFCCVEGCSA-N 378.385 -0.005 5 20 GBBD Nc1c(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] 267252507 LPRAOOOKUBKODL-GFCCVEGCSA-N 377.401 -0.160 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 270883426 OTPMHSOVOJEUPW-RYUDHWBXSA-N 378.385 -0.235 5 20 GBBD CC[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272951264 GKXLPKALORNKQY-MDZLAQPJSA-N 387.414 -0.394 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 282163773 HDFIKNULTJOMJD-UHFFFAOYSA-N 384.462 -0.209 5 20 GBBD CN(CC(=O)O)[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1O 435696779 LJOSAFZZAJFKEU-UONOGXRCSA-N 390.356 -0.623 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](CO)O1 502812706 GFTDTIKURKAJRI-KOLCDFICSA-N 377.357 -0.305 5 20 GBBD NS(=O)(=O)c1cnn(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 538426016 STBVXVJEUFCTQH-SNVBAGLBSA-N 395.401 -0.453 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)c(C)c([N+](=O)[O-])c1 600015385 PMRVWYTVIGXFJN-RYUDHWBXSA-N 395.368 -0.312 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 600235766 WXVQLRZMJBYRRR-ZDUSSCGKSA-N 394.388 -0.127 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 745971515 CIECUVOVVLYRAX-VIFPVBQESA-N 378.432 -0.253 5 20 GBBD COc1ccc(S(=O)(=O)NC(=O)Cn2nc(C)n(C)c2=O)c([N+](=O)[O-])c1 847619470 DDQQRRRDPSYYRY-UHFFFAOYSA-N 385.358 -0.688 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)CC(F)F 851359067 XJWWQTDBEBTPIP-UHFFFAOYSA-N 377.281 -0.098 5 20 GBBD CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1323600200 YMHFTJZUQFEDNP-ZDUSSCGKSA-N 398.441 -0.206 5 20 GBBD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1844386111 JIPROIQWVLJNQW-CYBMUJFWSA-N 393.400 -0.109 5 20 GBBD COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828934 JFSHVADDBUSWMD-CYBMUJFWSA-N 393.400 -0.109 5 20 GBBD O=C(CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccccc1[N+](=O)[O-] 265404400 ZDAQIPAIVQVHSS-UKRRQHHQSA-N 398.441 -0.379 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(CCOCCO)CC2)cc1[N+](=O)[O-] 265797473 JEHBVYUIEDCDAN-UHFFFAOYSA-N 389.430 -0.081 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 268842750 OYSBRTDCUQGHNY-AWEZNQCLSA-N 397.457 -0.015 5 20 GBBD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCCn1cc([N+](=O)[O-])cn1 269064147 CDJGGPCJCIGPCM-RFHZTLPTSA-N 377.357 -0.540 5 20 GBBD O=C(Nn1cn[nH]c1=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 272846411 JMXXLDPGNFTZIC-LLVKDONJSA-N 382.358 -0.597 5 20 GBBD NC[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 417322024 MHJQRSRQDBJYEC-LBPRGKRZSA-N 387.418 -0.758 5 20 GBBD Cc1[nH]c(=NC[C@H]2CC[C@@H](CO)O2)[nH]c(=NC[C@H]2CC[C@@H](CO)O2)c1[N+](=O)[O-] 431509364 OIJLHMDDBYSJLI-MQYQWHSLSA-N 397.432 -0.559 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 572900580 KAOPCDUJUSRCNB-RYUDHWBXSA-N 375.385 -0.079 5 20 GBBD CO[C@](C)(C(=O)O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 595994592 IUJKEBSBEVEITG-ZDUSSCGKSA-N 375.359 -0.521 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](O)Cc2ccccc2)n1 600653543 LAIZSYYPRFMMJV-NWDGAFQWSA-N 384.370 -0.337 5 20 GBBD CNc1c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-] 765521239 IAJCOJLNLPILLX-UHFFFAOYSA-N 391.340 -0.344 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1[N+](=O)[O-] 822009714 CPNHKFSMJLNXII-QMMMGPOBSA-N 399.375 -0.053 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 833144369 XNJMXSCZSBWGBO-ZDUSSCGKSA-N 389.324 -0.214 5 20 GBBD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893954 VBTIRBWQTAZJMS-SNVBAGLBSA-N 392.415 -0.391 5 20 GBBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(=O)N1CCOCC1 1346820443 PCAVBNNKVLYVGJ-UHFFFAOYSA-N 398.803 -0.118 5 20 GBBD O=C(c1cnc(O)[nH]1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779643611 AMOHVHYIRBDCSZ-HNNXBMFYSA-N 391.344 -0.496 5 20 GBBD C/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837799278 ZBHPXAHNSCTNPM-KZSQQDEKSA-N 379.373 -0.036 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 274133471 WKPKTPTXELHVFQ-LLVKDONJSA-N 382.354 -0.117 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](F)C[C@H]1C(N)=O 284949115 JQZYCUUCMPYRHJ-XCBNKYQSSA-N 375.334 -0.032 5 20 GBBD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])[nH]n1 285406994 CXAJCAXQRVAXKI-UHFFFAOYSA-N 383.386 -0.139 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298122197 BWCBEPBLAZWPIL-UHFFFAOYSA-N 384.414 -0.048 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 363498012 BUOWIDXBMLSEFW-GWCFXTLKSA-N 384.414 -0.137 5 20 GBBD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 366385572 XCSLUMQGRAKIJE-OAHLLOKOSA-N 394.388 -0.477 5 20 GBBD C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 412416337 KYGIFQFANLUWHS-LERXQTSPSA-N 387.414 -0.394 5 20 GBBD CCCc1[nH]nc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 484868149 XMMVCKNQIKVBQY-SECBINFHSA-N 387.418 -0.354 5 20 GBBD Cn1ccc(=O)n(CCCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1=O 514815824 MYFWLWUKSHOKHX-UHFFFAOYSA-N 389.368 -0.609 5 20 GBBD O=C(CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCNCC1 579098282 QXQAASAXWMORSK-UHFFFAOYSA-N 376.417 -0.142 5 20 GBBD O=[N+]([O-])c1ccc(N2CC[C@H](CO)[C@H](O)C2)nc1N1CC[C@@H](CO)[C@@H](O)C1 579897212 IYGQOVJOALNWNX-OSRDXIQISA-N 382.417 -0.651 5 20 GBBD COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C 600018655 PGUCDBANFJCLEB-WPRPVWTQSA-N 385.402 -0.089 5 20 GBBD O=C(NCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 600230311 SCDGZTRIJPGQFL-UHFFFAOYSA-N 396.425 -0.039 5 20 GBBD O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 603728886 NWJOMOQVNDYXIF-LBPRGKRZSA-N 396.425 -0.046 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)CN1CCOCC1 619871128 VGXMIQBFYRGHDM-GXTWGEPZSA-N 380.401 -0.478 5 20 GBBD NS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 772225953 JAGVQDHFTLLDCM-OAHLLOKOSA-N 397.457 -0.394 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCOC2(CCOCC2)C1 1332029316 ULPKUSNYIYTICY-LBPRGKRZSA-N 381.389 -0.248 5 20 GBBD Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] 1592007899 SUQBNTVEFJJFRI-UHFFFAOYSA-N 399.375 -0.581 5 20 GBBD C[C@@H]1CN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1603938298 WQGHOLLBRWDGIP-SNVBAGLBSA-N 397.417 -0.226 5 20 GBBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC([C@H](O)C(=O)O)CC1 1608451925 XFTYXDAUPQJNAO-AWEZNQCLSA-N 379.369 -0.062 5 20 GBBD Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)cc1[N+](=O)[O-] 1781303153 SCXRRIYZEFDHIC-GOSISDBHSA-N 393.396 -0.414 5 20 GBBD CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810368 NCYPBUAENBIBIE-GVXVVHGQSA-N 380.405 -0.527 5 20 GBBD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1)C(=O)O 1843389129 SUJTXDXVBZIGKL-SECBINFHSA-N 380.361 -0.802 5 20 GBBD CN1CCN(CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 1844828790 UTLQOHXMDGWRMK-UHFFFAOYSA-N 390.444 -0.013 5 20 GBBD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CCN1 1846420860 CGUMGAXYJNYDCM-LBPRGKRZSA-N 390.400 -0.479 5 20 GBBD CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 16520151 BIKSFCGYCUNTTJ-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD CCOc1cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC 277658165 ZPIDMOAKIXWSSL-RYUDHWBXSA-N 383.357 -0.105 5 20 GBBD C[C@@H](CN1CCOCC1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280796511 OXNCXDXOUUJVKA-LBPRGKRZSA-N 386.430 -0.290 5 20 GBBD NC[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 423649187 PFICJAIQSKNPJP-CYBMUJFWSA-N 389.412 -0.171 5 20 GBBD CNc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] 523697393 CRJQDHMVKJZLMY-DZGCQCFKSA-N 398.441 -0.136 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 547930598 UWKLJCGRPDGTQW-VCGICTTQSA-N 378.384 -0.190 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)Nc1ccn(C)n1 563765507 CZWVXTDWUFBSCX-UHFFFAOYSA-N 397.369 0.032 5 20 GBBD C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C 572377831 PCMRZEXZYPEYJS-LBPRGKRZSA-N 394.432 -0.424 5 20 GBBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CS(=O)(=O)C[C@H]1O 582072318 TWJHUVGZPJHTNU-ZYHUDNBSSA-N 399.381 -0.443 5 20 GBBD CN(C[C@H]1COCCO1)C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 597282297 KBACHOSHERFVLW-NSHDSACASA-N 377.357 -0.039 5 20 GBBD Cn1cc([C@H](O)CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 762526316 KFUKDVPCQFOHCT-CQSZACIVSA-N 397.413 -0.154 5 20 GBBD COC(=O)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 859362460 XZNCTFDIDAMCFR-UHFFFAOYSA-N 389.386 -0.049 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1117492667 COHGWQZGPUPSSU-UHFFFAOYSA-N 391.428 -0.466 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 1117565100 RKXNBZVPIOTOIR-LBPRGKRZSA-N 381.389 -0.296 5 20 GBBD CN(C)C(=O)CNc1cc(NCC(=O)N(C)C)c([N+](=O)[O-])cc1-c1nn[nH]n1 1591001014 QQPAYDKDKQHAOZ-UHFFFAOYSA-N 391.392 -0.225 5 20 GBBD COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1784260087 IFMYQTLTHOLYKF-MRXNPFEDSA-N 395.372 -0.278 5 20 GBBD CC(=O)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277944 INJDXDAJZGDSMG-BTTYYORXSA-N 392.416 -0.044 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1836511244 UCVIUMOTZMCTKJ-MRXNPFEDSA-N 379.373 -0.202 5 20 GBBD CNC(=O)CN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 264463240 HEQKJUUFGATEOK-UHFFFAOYSA-N 397.819 -0.132 5 20 GBBD CCNC(=O)[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265342553 YRRPNMHOYYYKKI-JTQLQIEISA-N 387.418 -0.303 5 20 GBBD Nc1c(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc(F)cc1[N+](=O)[O-] 265468831 OOYFHWQLAVMUCI-LBPRGKRZSA-N 395.391 -0.021 5 20 GBBD CNS(=O)(=O)NC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 280903457 FBAAGXDKRWRNJE-ZDUSSCGKSA-N 388.446 -0.147 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)NCCCNC(=O)Cn1ccc([N+](=O)[O-])n1 286628754 WKIBRYKQMQWCSX-UHFFFAOYSA-N 380.321 -0.781 5 20 GBBD CCCNC(=O)CN(C)C(=O)CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O 289588915 RYGGKEATAVBGCV-UHFFFAOYSA-N 398.397 -0.276 5 20 GBBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCOCCS(N)(=O)=O)cc1C 296267525 YMKQEVJGZLFTMA-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD C[C@@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 376873017 WTRWUUNZCJLRJH-GVXVVHGQSA-N 387.414 -0.394 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 447936269 NTDUBVUXMRQFEO-SECBINFHSA-N 377.762 -0.090 5 20 GBBD CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1=O 568786115 PUOKNXNGVSAQHB-SECBINFHSA-N 384.370 -0.492 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 593792479 QNIMJKOEEZLWMB-MNOVXSKESA-N 388.450 -0.023 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 598029192 PZGFDFWFTYFAOR-GWCFXTLKSA-N 381.370 -0.283 5 20 GBBD CN(CC(=O)NC[C@@H](O)[C@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 610016463 ZKPZIIPOKIADJR-SMDDNHRTSA-N 387.414 -0.271 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 614817283 DJRYFCHPXOXWSU-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN([C@H](C)CC(=O)O)CC2)c([N+](=O)[O-])n1 833682326 QTRNZDNQFMGAFY-SNVBAGLBSA-N 375.407 -0.019 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)C(C)(C)NC(=O)C(F)(F)F)n1 861326992 ROPHQECPWVUMGM-UHFFFAOYSA-N 387.296 -0.410 5 20 GBBD CC(C)[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCS(=O)(=O)C1 913305036 HEMHXDJEYFPSAP-MFKMUULPSA-N 388.402 -0.338 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCO1 1318563986 ZCVQIKJKDBFHAS-CYBMUJFWSA-N 385.398 -0.025 5 20 GBBD CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2)C(=O)O 1796090655 UMCCKGOMUUSCOZ-VLEAKVRGSA-N 394.388 -0.368 5 20 GBBD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(O)O)C3)c([N+](=O)[O-])cc1O 1799307646 TXYGZWWVHFKSJH-ILWJIGKKSA-N 395.368 -0.129 5 20 GBBD Cn1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)cn1 1848163743 ZQPLBLWPOOOCMC-GJZGRUSLSA-N 387.400 -0.031 5 20 GBBD CN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 54890364 AFKZMLAUMOHYSG-UHFFFAOYSA-N 399.367 -0.065 5 20 GBBD C[C@H]1CS(=O)(=O)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 266049548 UJDCYGWZNLXOAK-VIFPVBQESA-N 381.366 -0.164 5 20 GBBD COc1cc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)ccc1[N+](=O)[O-] 275052411 XKJCBKYAVGWNSI-SECBINFHSA-N 387.370 -0.185 5 20 GBBD NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-] 414339153 JMDWNZFMVMBXOL-SECBINFHSA-N 375.384 -0.116 5 20 GBBD O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 418682421 ZUWZISMTGIOTQD-FICVDOATSA-N 395.441 -0.172 5 20 GBBD O=C(NCC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1cccc([N+](=O)[O-])c1 598905695 LCKSOTOWZSZYGN-INIZCTEOSA-N 390.356 -0.083 5 20 GBBD CCn1cc(S(=O)(=O)N2CCO[C@@H](CNC(=O)NC)C2)c([N+](=O)[O-])n1 599384031 GPGIUXQFYJUFSN-VIFPVBQESA-N 376.395 -0.870 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H](O)[C@@H]1CCCO1 600239297 SUUREWZBPHYYLM-KBPBESRZSA-N 387.414 -0.081 5 20 GBBD CCC1(CC)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 847892873 IXONYRPMMWULIL-UHFFFAOYSA-N 399.385 -0.095 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1323427839 OVCBDSSMKDJZHC-ZDUSSCGKSA-N 398.441 -0.206 5 20 GBBD CC(=O)N1CCN(CCNc2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 1589081035 GKQHOMYBVUFVLI-UHFFFAOYSA-N 393.400 -0.015 5 20 GBBD CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1790846004 AYMYTOQRJFIHMS-GVXVVHGQSA-N 394.388 -0.953 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1794003562 DYCHRMJQPCKBPC-FAXLKDOZSA-N 393.400 -0.440 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1)c1n[nH]cc1[N+](=O)[O-] 1799353015 OVTGLWICIBPBEK-ILWJIGKKSA-N 387.356 -0.033 5 20 GBBD CNCCCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824098 BHOMVOGWNRYODN-UHFFFAOYSA-N 391.428 -0.041 5 20 GBBD C[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C(N)=O)O1 268470228 PVPFKLFOKCUCHR-CJNGLKHVSA-N 391.428 -0.182 5 20 GBBD NC(=O)c1ccc(SCC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c([N+](=O)[O-])c1 268485151 FOWSEDAPWOMJLR-KOLCDFICSA-N 382.398 -0.065 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 277190183 VRVYJHUEASZAKE-UHFFFAOYSA-N 387.418 -0.210 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 371004085 KCGGFRFGFKRHRL-VIFPVBQESA-N 396.381 -0.659 5 20 GBBD CCC[C@@H](O)[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 414022570 QWCWLDMFHPEBRM-CMPLNLGQSA-N 375.403 -0.489 5 20 GBBD CNC(=O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 422160691 PQQGVMGXDJASBK-LLVKDONJSA-N 399.429 -0.349 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1)c1cccc([N+](=O)[O-])c1 424513487 CYIXTSNDYRRZDF-BXKDBHETSA-N 399.381 -0.518 5 20 GBBD C[C@H]1CO[C@H](CO)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 492513389 VOODNUPULRLUKH-AAEUAGOBSA-N 387.414 -0.177 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 512763178 IWJWQELBDZKZLX-QMMMGPOBSA-N 397.456 -0.420 5 20 GBBD NCC1(O)CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 569339061 MKWWAMDVVYDIOD-UHFFFAOYSA-N 386.430 -0.425 5 20 GBBD N[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 598730987 FNRNAPUZVLIJBY-UGSOOPFHSA-N 388.428 -0.022 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N3C[C@@H](C(=O)O)CC3=O)C2)n1 600653935 QQHHBQUKJROBBW-IUCAKERBSA-N 387.374 -0.976 5 20 GBBD CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 600732504 BOZBOMJNFPMPOU-JTQLQIEISA-N 383.386 -0.139 5 20 GBBD C[C@@H]1OCC[C@H]1N(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590337461 MYTSCDCZGYUMAV-VHSXEESVSA-N 398.401 -0.065 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477519 VHGIBZFANYNEGA-WJTVCTBASA-N 393.400 -0.318 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1 1795821558 XEFGFOMMQKZJOY-GFQSEFKGSA-N 390.400 -0.292 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1840634455 LTWDUCWYPQLDCV-QGZVFWFLSA-N 393.400 -0.342 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273036772 NZTJRHZYWGTZBY-CYBMUJFWSA-N 385.398 -0.268 5 20 GBBD C[C@@H](O)CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 275466742 QRNCFDUCUFRIKW-LLVKDONJSA-N 376.369 -0.284 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(C)c1[N+](=O)[O-] 276799150 KLLJXPZQDZAYTL-JTQLQIEISA-N 388.358 -0.005 5 20 GBBD NC(=O)[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 280670939 UEFLHYIYYUADLN-VXGBXAGGSA-N 386.386 -0.978 5 20 GBBD COC(=O)C[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 298126378 WIFBOHDFKVOCGP-BXKDBHETSA-N 381.341 -0.066 5 20 GBBD O=C(NCC(=O)N1CCn2c(O)nnc2C1)NCc1ccc([N+](=O)[O-])cc1 438425941 YNQHOONGRSUYOM-UHFFFAOYSA-N 375.345 -0.267 5 20 GBBD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCCn1cc([N+](=O)[O-])cn1 532873117 QHKBUXKZPWBUJK-UHFFFAOYSA-N 395.397 -0.084 5 20 GBBD COC(=O)c1cn(C2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)nn1 546819071 OAKZJVLVYJETHC-UHFFFAOYSA-N 390.356 -0.002 5 20 GBBD O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)N2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 567653533 SQCNLKWEPSVFGU-KGLIPLIRSA-N 388.428 -0.009 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2[N+](=O)[O-])CC1 576937223 WBMUZEZBXKVQSW-HNNXBMFYSA-N 391.428 -0.019 5 20 GBBD CN1CCN(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609548865 DKIPFHDITHZJJS-UHFFFAOYSA-N 385.446 -0.763 5 20 GBBD C[C@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N1CCNC1=O 729597126 SPBJNNRJTWBNBK-QMMMGPOBSA-N 390.308 -0.326 5 20 GBBD CCNS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 732107862 WDRBARYUABTQIE-SNVBAGLBSA-N 388.402 -0.152 5 20 GBBD O=Cc1ccc(OCC(=O)N(CCO)CCN2CCOCC2)c([N+](=O)[O-])c1 757109701 PCZWZAHQTJBDBO-UHFFFAOYSA-N 381.385 -0.061 5 20 GBBD Nc1c([N+](=O)[O-])ccc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1-c1nn[nH]n1 1592756952 FOQLNWWIVINBAP-AWEZNQCLSA-N 395.401 -0.249 5 20 GBBD O=C(Cn1nccn1)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1781421642 QHYHRWVCPXVYHE-MRXNPFEDSA-N 389.372 -0.342 5 20 GBBD O=C1CC(C(=O)N2CCCC23CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)C3)=NN1 1844224213 UPXVEAILYJWEJW-UHFFFAOYSA-N 387.352 -0.007 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)NCCc1cccc([N+](=O)[O-])c1)c(=O)n2C 125847712 XKPULXYKFRVZAW-UHFFFAOYSA-N 386.368 -0.299 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 272863139 SNCYCEBUDPXZHF-UHFFFAOYSA-N 380.357 -0.490 5 20 GBBD O=C(O)[C@@H]1Cn2c(O)nnc2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 424394455 TZOJLXUQZBEJFS-QMMMGPOBSA-N 387.305 -0.311 5 20 GBBD C[C@H]1CN(C(=O)Cn2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cn2)C[C@H](C)O1 525097173 VIOLYEYCZYQAII-QWRGUYRKSA-N 392.376 -0.343 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 558536364 SSMLDLARLIBBEA-UHFFFAOYSA-N 390.356 0.465 5 20 GBBD CNc1nccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1[N+](=O)[O-] 565959937 UWLXZHKRCJEUGP-UHFFFAOYSA-N 385.384 0.488 5 20 GBBD COC(=O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 570554297 MWDDDALRNZMYBX-UHFFFAOYSA-N 394.369 -0.117 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCNC2)CC1 584608592 UTORIFFXHXSDDX-CYBMUJFWSA-N 397.457 -0.621 5 20 GBBD COC(=O)C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC 598893725 CAPYZCNTPVMYDM-LLVKDONJSA-N 382.329 -0.063 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 603930655 AEAGEHWXAXYUSU-UHFFFAOYSA-N 399.429 -0.585 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 760035228 GUHDGKIRWVDFCA-JQWIXIFHSA-N 381.341 -0.056 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1319471668 OWSTZUHQGOFRPZ-CYBMUJFWSA-N 377.401 -0.479 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1323469641 MZIMDWJMRNRLNN-AWEZNQCLSA-N 398.441 -0.206 5 20 GBBD O=C1COC[C@@]2(CNc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])COCCN12 1593400056 AJDWEBRCVFQHKG-OAHLLOKOSA-N 375.345 -0.185 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnco1)C2 1794000534 BKSOCAPCOHPQSF-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD Cc1c(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] 267469040 OGSWLAHZPLFQSW-LBPRGKRZSA-N 375.385 -0.126 5 20 GBBD C[C@@H]1OCC[C@H]1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 276115351 XYZFVSZAYUDJCR-GXFFZTMASA-N 393.443 -0.030 5 20 GBBD COC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280130436 DAWVYWSCERYYOS-JTQLQIEISA-N 376.391 -0.820 5 20 GBBD O=C(N[C@@H]1COC[C@H]1O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 297107104 XTIATHWUAJUUCL-MGPQQGTHSA-N 385.398 -0.376 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccn(-c2ncccc2F)n1 371166443 QDLWFJIWENUWFQ-UHFFFAOYSA-N 388.319 0.266 5 20 GBBD Cc1c(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cccc1[N+](=O)[O-] 480055425 CDDPTQFAKYNXOP-UHFFFAOYSA-N 388.388 -0.056 5 20 GBBD Nc1c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc(F)cc1[N+](=O)[O-] 517340942 JAMAIKGHOBNALE-VIFPVBQESA-N 388.377 -0.261 5 20 GBBD O=C(CN1C(=O)N[C@]2(CCCNC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 579588304 IPANTYWEBGYICC-INIZCTEOSA-N 391.340 -0.064 5 20 GBBD O=C(O)[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 591568635 RDFNXTSJPDRMBZ-CYBMUJFWSA-N 379.325 -0.504 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598897574 GZRIWGVYYRWNPD-LBPRGKRZSA-N 385.402 -0.004 5 20 GBBD CN(C)CC(=O)N1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 737359379 CUOPLMYYYOFGNN-UHFFFAOYSA-N 393.400 -0.381 5 20 GBBD Cc1c(C(=O)NS(=O)(=O)c2cnnn2C)nnn1-c1cccc([N+](=O)[O-])c1 781732119 KMZLUHFLQUUOQI-UHFFFAOYSA-N 392.357 -0.269 5 20 GBBD CCOC(=O)c1cc(C(=O)OCC(=O)N2CCNC(=O)C2)cc([N+](=O)[O-])c1 794546479 PECYTBDLOAADGR-UHFFFAOYSA-N 379.325 -0.113 5 20 GBBD O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 834397246 NNMYVUYXFQOEAI-AWEZNQCLSA-N 395.397 -0.116 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1326962348 GNPRROASCLPVPD-GFCCVEGCSA-N 384.414 -0.596 5 20 GBBD CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C[C@H]1CO 1579376753 DWYGPFYHRXVBJG-JTQLQIEISA-N 383.390 -0.928 5 20 GBBD CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](C(=O)O)C1 1598604110 BUWCCJHWRBPOPH-SNVBAGLBSA-N 390.352 -0.334 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796295080 ZXMIGCCAWDRYBJ-ZSBIGDGJSA-N 389.376 -0.884 5 20 GBBD NC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845474280 HHXHOACNEVOMBM-UHFFFAOYSA-N 377.357 -0.214 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CC(O)C1 1847515722 VPAVVPCHHBEXPF-HOAMVYINSA-N 390.396 -0.271 5 20 GBBD CC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298041172 JNCNIURMBZLPGQ-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1O 487685181 HICPQZFIGNBBDZ-NWDGAFQWSA-N 383.405 -0.213 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 576789214 KYWARQMBKCODPO-UHFFFAOYSA-N 395.401 -0.603 5 20 GBBD CN(C[C@@H]1COCCO1)C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 597282296 KBACHOSHERFVLW-LLVKDONJSA-N 377.357 -0.039 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 600230289 RXNQOGQCLAUXHH-GFCCVEGCSA-N 389.372 -0.055 5 20 GBBD Cn1cc(C(=O)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c(O)nc1=O 762734172 OBSSBHRKWFWNQU-UHFFFAOYSA-N 382.354 -0.304 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 825393922 MVZFFLMQQRGLIW-AWEZNQCLSA-N 386.430 -0.678 5 20 GBBD C[C@H]1NC(=O)N(CCOC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O 837359717 MTLKQPAITDZZSP-SECBINFHSA-N 392.324 -0.196 5 20 GBBD O=C1C[C@H](NC(=O)c2cc(C(=O)N[C@@H]3COC(=O)C3)cc([N+](=O)[O-])c2)CO1 854555281 FLEFKJMZSYSMFD-QWRGUYRKSA-N 377.309 -0.315 5 20 GBBD COc1ccc(C(=O)NCC(=O)NN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 862738863 OVFIZZLJXDQKBV-UHFFFAOYSA-N 386.386 -0.905 5 20 GBBD Cc1c(CNC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] 1326681960 NYADXVFBOVKZML-LBPRGKRZSA-N 384.414 -0.330 5 20 GBBD CN1C[C@H](C(=O)O)N(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1=O 1606198210 SKPZISMFKFYJNF-OLZOCXBDSA-N 376.325 -0.158 5 20 GBBD C=CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999817 JODIAULSXMHNHM-LBPRGKRZSA-N 390.400 -0.315 5 20 GBBD O=C(O)CSCC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1846390566 OHWAABVBUUTTKA-UHFFFAOYSA-N 383.386 -0.047 5 20 GBBD O=C1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 264831596 ADROOQZXXKXOLT-ZDUSSCGKSA-N 382.398 -0.294 5 20 GBBD C[C@@H](O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272961594 HRHODJPJTQMXKX-WZRBSPASSA-N 387.414 -0.394 5 20 GBBD CCS(=O)(=O)NCCCNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 273743676 UEDUBOQBTVMVIS-UHFFFAOYSA-N 395.415 -0.099 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 273988143 IMLJAMVJPZROBF-LLVKDONJSA-N 388.402 -0.403 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 274003597 JYQDAOOPMSSHII-ZDUSSCGKSA-N 385.398 -0.170 5 20 GBBD O=C(Cn1cccnc1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 519146779 WTYSRMSCBFMLBP-UHFFFAOYSA-N 381.370 -0.754 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](CO)CN(C)C)cc2[N+](=O)[O-])CC1 590370338 XQRKCJQMMOESJD-OAHLLOKOSA-N 393.444 -0.084 5 20 GBBD CN(CC(=O)N1CCO[C@@H](C(=O)O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 610891662 COWUAPIDRPZCRR-GFCCVEGCSA-N 387.370 -0.473 5 20 GBBD CC[S@](=O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 735111258 NAKZROXDBFDGHU-DEOSSOPVSA-N 392.459 -0.059 5 20 GBBD Cn1ncc2c(=O)n(CN3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nnc21 754004817 GMMYVCMKSGKKIU-UHFFFAOYSA-N 398.383 -0.151 5 20 GBBD O=C1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 815109149 VLMWAUMVQMQJHD-LLVKDONJSA-N 384.414 -0.094 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 1263630655 SRDJLTNCCFYIJD-UHFFFAOYSA-N 384.422 -0.353 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O 1323428324 QYYKOMFDUQZUMK-LBPRGKRZSA-N 398.441 -0.254 5 20 GBBD CO[C@@H](C(=O)O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1574101089 HZSQXEYJCWZWTJ-GFCCVEGCSA-N 387.370 -0.473 5 20 GBBD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165861 NKRKHWAQDYHDHG-XBFCOCLRSA-N 390.400 -0.316 5 20 GBBD C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 47831673 KTYRFBSVFKDXAC-SECBINFHSA-N 390.443 -0.122 5 20 GBBD CN(CCCNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)S(C)(=O)=O 53172980 IVUMNEPGRGYRTC-UHFFFAOYSA-N 397.413 -0.298 5 20 GBBD C[C@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 267276596 NYMMFRDFMWVVQX-LBPRGKRZSA-N 397.457 -0.144 5 20 GBBD Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc([N+](=O)[O-])c1 276560830 ZPLLZYRPIAFZBV-LSDHHAIUSA-N 383.426 -0.181 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 298136333 LEUJIYOSTSIDCM-UHFFFAOYSA-N 399.429 -0.241 5 20 GBBD CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)n1 425736048 AHPSDABLKHYFQD-UHFFFAOYSA-N 390.356 0.047 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(=O)CO)CC1 439830972 AZCFIINTVHPIQB-UHFFFAOYSA-N 380.357 -0.405 5 20 GBBD CC[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC 457973393 PXUORVVMYZJLHN-LBPRGKRZSA-N 387.418 -0.303 5 20 GBBD NS(=O)(=O)CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 501010183 IVDZERFKYVHGIK-UHFFFAOYSA-N 385.446 -0.171 5 20 GBBD NS(=O)(=O)c1c(N2CCN(CC(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] 515578732 IYAQYLAFFRAIIL-UHFFFAOYSA-N 383.430 -0.357 5 20 GBBD CNc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 523374314 PRDWHPMYWHRJPL-GJZGRUSLSA-N 398.441 -0.448 5 20 GBBD CS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 566315571 RHQOULQEDFFCNW-JTQLQIEISA-N 391.427 -0.238 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 599300855 YAELHJKBDAHCBV-RKDXNWHRSA-N 381.436 -0.676 5 20 GBBD COc1c(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] 619430560 WKGDPSKTQBRXCP-UHFFFAOYSA-N 386.430 -0.090 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 782937636 AVPDJRADXVJDTP-NSHDSACASA-N 399.429 -0.255 5 20 GBBD O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)nc1 826426202 HOLMRPCSODSCIG-KGLIPLIRSA-N 385.340 -0.006 5 20 GBBD O=C1N[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 858137132 HGTBVEBYEWIERN-NSHDSACASA-N 398.397 -0.074 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)NCCCN1CCCCCC1=O 1582191981 LMLAGUBYBDVBGB-UHFFFAOYSA-N 391.392 -0.120 5 20 GBBD CNS(=O)(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591220466 TXIVZFYAEPBBOX-UHFFFAOYSA-N 382.406 -0.643 5 20 GBBD O=C(c1ccnnc1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382125 AQJPNVZGLLDVMK-INIZCTEOSA-N 387.356 -0.135 5 20 GBBD CCO/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801186210 QVBGNYQVRLDUCA-HNDWSZEFSA-N 393.400 -0.069 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 275085555 JKVACNSZEMEAGM-NSHDSACASA-N 378.384 -0.392 5 20 GBBD CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 276940100 APSFXNYWTAPEFN-UHFFFAOYSA-N 384.411 -0.155 5 20 GBBD O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 436989423 RLSODHCOKONWIY-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD COC(=O)[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 488699646 ULXCALRNAQGXEJ-LBPRGKRZSA-N 388.354 -0.072 5 20 GBBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 523345937 CLUGASYECRMENK-UHFFFAOYSA-N 377.357 -0.633 5 20 GBBD CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)CCO1 565428824 SQYGTGQWMQVFMS-SNVBAGLBSA-N 387.370 -0.181 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 763459494 VUXQIMKLKAXFDF-UHFFFAOYSA-N 381.370 -0.024 5 20 GBBD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851326675 BXNNJYCZWYFNJQ-SECBINFHSA-N 392.415 -0.391 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ccno1 1794739250 RHHBTMBNOCAWNX-DOFRTFSJSA-N 376.329 -0.177 5 20 GBBD Cn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])n1 1796401508 LCPIFPRLZXZOHJ-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011158 UQHSQLQBMGKDFA-GNXNZQSNSA-N 397.388 -0.816 5 20 GBBD Nc1c(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc(F)cc1[N+](=O)[O-] 265781533 KDVMZIPNBYXEAM-MRVPVSSYSA-N 375.382 -0.039 5 20 GBBD Cc1cc(S(=O)(=O)NCCOCCS(N)(=O)=O)cc([N+](=O)[O-])c1F 288898760 JETJFJWRDOBCJY-UHFFFAOYSA-N 385.395 -0.374 5 20 GBBD C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 292099081 MBYKDAKLLYHIJL-MDZLAQPJSA-N 387.414 -0.442 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 299381998 HKFNJNWCLATZNS-SNVBAGLBSA-N 375.334 -0.214 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@H]1CO 368888330 LTKDTVGNGCXCFE-WDEREUQCSA-N 388.402 -0.990 5 20 GBBD C[C@@H](CO)N(C[C@@H](C)O)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 443798678 LCPNQTBQDHHIOB-NWDGAFQWSA-N 389.430 -0.147 5 20 GBBD CCOC(=O)[C@@](C)(O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 478589413 WPQQKPKRJZDUDP-INIZCTEOSA-N 379.325 -0.379 5 20 GBBD Cc1nn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)c1[N+](=O)[O-] 511221306 FPTVVRQYFBLPPH-CYBMUJFWSA-N 385.446 -0.261 5 20 GBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C(=O)CN2CCCC2)CC1 541115094 MTLQANOJDRGIDI-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD COC(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc([N+](=O)[O-])c1 571208608 UJWYATREUCMWOQ-LLVKDONJSA-N 386.338 -0.295 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] 574101345 NDAMSZHMGCSNCS-LOWVWBTDSA-N 375.385 -0.458 5 20 GBBD Cc1ccc(C)c(S(=O)(=O)NCCNS(=O)(=O)N(C)C)c1[N+](=O)[O-] 574434577 WUGKJBQYDBFMEN-UHFFFAOYSA-N 380.448 -0.114 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 595242321 SNDJXPKFAVNIDX-ONGXEEELSA-N 381.776 -0.043 5 20 GBBD COC(=O)C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 599463515 XCTFILGZIVWVCM-QMMMGPOBSA-N 376.343 -0.416 5 20 GBBD COC(=O)[C@@](C)(NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1cccc([N+](=O)[O-])c1 600541367 SNPREYPYEODDRS-INIZCTEOSA-N 392.324 -0.480 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 742405223 CGIGJGWUQXVFGC-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 1321959596 FQIBMMZVFYWMHM-CHWSQXEVSA-N 396.448 -0.089 5 20 GBBD CN1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796402317 ZLHUFAKJLYOSHS-RNJOBUHISA-N 392.416 -0.385 5 20 GBBD CC[C@H](NC)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1843005616 BYYGXABMQTTWQO-ZDUSSCGKSA-N 391.428 -0.042 5 20 GBBD O=C(CN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843391101 UVAYWRCHSNHXED-UHFFFAOYSA-N 388.340 -0.940 5 20 GBBD COC(OC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847696020 KRSAIBZYVKBLQX-RYUDHWBXSA-N 394.384 -0.423 5 20 GBBD CN(C(=O)CN1CCN(S(=O)(=O)N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 27432132 LNMVPMINULHTBI-UHFFFAOYSA-N 385.446 -0.018 5 20 GBBD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cc([N+](=O)[O-])cnc1O 264936721 PJMSWILBPHLKFD-LLVKDONJSA-N 388.402 -0.086 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1[N+](=O)[O-] 275501036 ZMJSFTYNHJBPPZ-SECBINFHSA-N 391.377 -0.044 5 20 GBBD COC(=O)c1cnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 276504375 CVMUNUVXMUKNHD-UHFFFAOYSA-N 377.357 -0.296 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] 439433885 ACKNEQSSISUFRE-DGCLKSJQSA-N 388.398 -0.394 5 20 GBBD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 444505705 LEZQTGWFGWNYCH-UHFFFAOYSA-N 388.384 0.477 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 488924019 KUQCWINMKFQHIH-JTQLQIEISA-N 378.341 -0.210 5 20 GBBD Cn1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 517669989 NSVZYBILWDIZHB-UHFFFAOYSA-N 394.413 -0.043 5 20 GBBD C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 564587276 VOQIKLHEDIUPIK-HTQZYQBOSA-N 375.432 0.093 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 592917113 QCJRRVWIHQYOAA-PWSUYJOCSA-N 393.352 -0.297 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCN1CCNC(=O)C1 781413383 TWSLPDCNPGDTBP-UHFFFAOYSA-N 380.357 -0.657 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 824203230 SLDBGSNIEHIWMQ-QGZVFWFLSA-N 392.412 -0.369 5 20 GBBD CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 1117561900 GNQPACLGGNBCEG-KGLIPLIRSA-N 395.416 -0.314 5 20 GBBD O=C(CN1CCCC1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378986 SROAFZYLQXTTDK-QGZVFWFLSA-N 392.416 -0.143 5 20 GBBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)c([N+](=O)[O-])cc1O 1795526526 WXUXBGOLZDHVAQ-WRBXQSRGSA-N 394.384 -0.529 5 20 GBBD COCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834973476 DHLRUFQNRYXNLW-MRXNPFEDSA-N 382.373 -0.361 5 20 GBBD COc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] 264079860 JJFGSLOVGUWJFG-GXTWGEPZSA-N 399.425 -0.169 5 20 GBBD O=C(O)[C@@H]1CC(=O)N(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 274953790 IFRQXEFSPMLWCC-GFCCVEGCSA-N 385.398 -0.010 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@H](C)O)cc1[N+](=O)[O-] 277264176 NSRZTPZDBZQROK-WKEGUHRASA-N 377.331 -0.115 5 20 GBBD COC(=O)CC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 288519919 CRLRGSZOHQWIIH-LBPRGKRZSA-N 388.402 -0.730 5 20 GBBD C[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC(=O)N1 295677465 GRBHVDPTGXWNFZ-NSHDSACASA-N 384.414 -0.060 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1CCn1cc([N+](=O)[O-])ccc1=O 444604521 BQHZRFIPYRQFBD-ZDUSSCGKSA-N 382.373 -0.863 5 20 GBBD CC(=O)N1CCN(C(=O)CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 490323917 CFAZAAKBWZBTOZ-UHFFFAOYSA-N 381.393 -0.829 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCNS(=O)(=O)c1cccnc1 533307440 AKJNZQFLCGJQBW-UHFFFAOYSA-N 387.399 -0.358 5 20 GBBD O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 536640090 UYLJLULJMNJUCU-CYBMUJFWSA-N 399.429 -0.365 5 20 GBBD COCCN(C(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O)[C@@H]1CCS(=O)(=O)C1 566223053 WVEYHVIIQFWYBP-SNVBAGLBSA-N 391.377 -0.442 5 20 GBBD COc1ccc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 582307693 YIWSRRYSQPUAOG-UHFFFAOYSA-N 393.443 -0.388 5 20 GBBD CCc1[nH]nc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1[N+](=O)[O-] 731921248 QMJOVWJLXIMPMG-UHFFFAOYSA-N 391.344 -0.516 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N1CCC2(CC1)OCCO2 748912311 QCASDXZGQINHKT-UHFFFAOYSA-N 381.341 -0.335 5 20 GBBD O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)nc1 826426203 HOLMRPCSODSCIG-UONOGXRCSA-N 385.340 -0.006 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 919976167 CDZNVSXZEBBJIF-UHFFFAOYSA-N 388.450 -0.019 5 20 GBBD CO[C@]1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 1324457335 SQUNPOBDAZYIFB-KRWDZBQOSA-N 393.400 -0.440 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)N[C@H]1CCS(=O)(=O)C1 1333093825 RUROPXDMSMXDAP-ZETCQYMHSA-N 394.203 -0.178 5 20 GBBD O=[N+]([O-])c1cnc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(-c2nn[nH]n2)c1 1593486199 MFWZMIKNYTYYGO-CYBMUJFWSA-N 381.374 -0.436 5 20 GBBD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793390980 FQZANQFMYKRUJV-HNRZYHPDSA-N 395.416 -0.072 5 20 GBBD CC(C)[C@H](O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823863 XQYZGZAUNCMOEO-HNNXBMFYSA-N 392.412 -0.023 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)ncn1 1847889333 JHHXGBYUOIKLSF-STQMWFEESA-N 387.356 -0.198 5 20 GBBD Cn1cc(S(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 15332882 MZWFZGVEHAGECJ-UHFFFAOYSA-N 383.386 -0.617 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1 16520660 HBAJKEQYJCDEGI-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD C[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 26542100 GKXFULNDMDONIO-JTQLQIEISA-N 385.402 -0.516 5 20 GBBD C[C@@H]1C(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264430157 LWQJXDXLXAKLBJ-SECBINFHSA-N 385.402 -0.609 5 20 GBBD C[C@@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C)CC1 265116800 MLDWWMNZYVGSNB-LBPRGKRZSA-N 389.412 -0.057 5 20 GBBD COCCN1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1=O 271057129 BRMURPUWMUIPKA-UHFFFAOYSA-N 394.384 -0.350 5 20 GBBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCNS(=O)(=O)N(C)C 288806142 ABVYSINVSVOEQT-UHFFFAOYSA-N 380.448 -0.114 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 299571676 GZOVJAZGYVDFOH-STQMWFEESA-N 399.425 -0.049 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)NCCN1CCOCC1 414469849 NGSWRIMAJZMBFC-UHFFFAOYSA-N 386.430 -0.370 5 20 GBBD O=C(C(=O)N1CC[C@@]2(CCCN2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423592530 LQYZFAHMBABOCI-SFHVURJKSA-N 388.428 -0.007 5 20 GBBD Cc1ccc(S(=O)(=O)N2Cc3nnc(O)n3C[C@H]2C(=O)O)cc1[N+](=O)[O-] 424392355 PICCXQBPNVIWNB-JTQLQIEISA-N 383.342 -0.142 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 432504968 IUSXRQAHRZMLAL-UHFFFAOYSA-N 375.407 -0.698 5 20 GBBD CN(Cc1nnnn1C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 466259854 NUXIZPNRUBICLK-UHFFFAOYSA-N 398.405 -0.762 5 20 GBBD Cn1cc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 563394166 HMAKAEADLJSCBZ-UHFFFAOYSA-N 390.356 -0.570 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[C@@]1(O)CCOC1 593811975 FTLHDXNDTOIDRF-OAHLLOKOSA-N 387.414 -0.079 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)O1 593845010 JFNRBQOVGAJUES-KWQFWETISA-N 387.370 -0.355 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NC[C@@]2(OCCO)CCOC2)cc([N+](=O)[O-])c1 597995652 MUQQWLHGWHCMHS-HNNXBMFYSA-N 388.398 -0.104 5 20 GBBD CC[C@@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)N1CCOCC1 611106795 KZSIYHGUZLMJFL-SNVBAGLBSA-N 375.407 -0.273 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](OCCO)C2)c1-c1nn[nH]n1 826500229 OYALGDUPCKMVDK-SNVBAGLBSA-N 398.401 -0.063 5 20 GBBD Cc1nc(N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)ncc1[N+](=O)[O-] 1328568769 VYAAXPNNDUSUKV-UHFFFAOYSA-N 378.436 -0.212 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413696 DAXHASPERYIGNH-GTNSWQLSSA-N 393.400 -0.122 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1842946332 AVBNMCLUTOTBIG-JTQLQIEISA-N 378.389 -0.667 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845767664 PUXDNVSQKCQAPE-UHFFFAOYSA-N 387.356 -0.608 5 20 GBBD COC(=O)[C@]1(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCOC1 268033026 HMVQVLMDPFOETP-AWEZNQCLSA-N 387.370 -0.387 5 20 GBBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C(N)=O)C1 280888667 GOTSDIGZCJGJHQ-SNVBAGLBSA-N 393.385 -0.404 5 20 GBBD Cn1nccc1COCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 284203665 CHUHTLAICVTJNW-UHFFFAOYSA-N 397.413 -0.060 5 20 GBBD COCCCN(CCO)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 288653218 XLQNJLTVHDCNHB-UHFFFAOYSA-N 379.373 -0.055 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 298206458 LJVXYYJTYONNQG-MFKMUULPSA-N 392.368 -0.397 5 20 GBBD COC(=O)c1cn([C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)nn1 371851334 FGKOSQPJVJWAMB-JTQLQIEISA-N 378.349 -0.174 5 20 GBBD O=C(C(=O)N1CC[C@]2(CCCN2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423592522 LQYZFAHMBABOCI-GOSISDBHSA-N 388.428 -0.007 5 20 GBBD CS(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 500291535 ZGHFMFSFYNNOJV-CYBMUJFWSA-N 382.398 -0.196 5 20 GBBD O=C(C(=O)N1CC[C@@]2(CCNC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 567645622 IRLQBAWRMSIONP-GOSISDBHSA-N 388.428 -0.150 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CCNCC2)C1 582419884 MTLLKMMODBQCQL-UHFFFAOYSA-N 384.414 -0.581 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 589837530 WBNCHIAMDPWLBK-SECBINFHSA-N 396.381 -0.530 5 20 GBBD COC(=O)CNC(=O)[C@@H]1CCCN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596275740 WJFNNPKPYHOGHO-JTQLQIEISA-N 386.386 -0.500 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(=O)N1CCN(C)CC1 603819913 CCOBPXRQBNESHR-CYBMUJFWSA-N 391.428 -0.055 5 20 GBBD CS(=O)(=O)NCCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 732502289 QPNKLORSONUECJ-SECBINFHSA-N 375.359 -0.115 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(N2CCCC2=O)CC1 1325572237 ZSISPHSRDGSSCY-UHFFFAOYSA-N 378.389 -0.479 5 20 GBBD CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844158423 RFQZBGZECQPKNC-NSHDSACASA-N 396.360 -0.801 5 20 GBBD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847296253 QBXKRDYMUOCXIE-ILXRZTDVSA-N 392.416 -0.092 5 20 GBBD Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc([N+](=O)[O-])c1 276560825 ZPLLZYRPIAFZBV-HUUCEWRRSA-N 383.426 -0.181 5 20 GBBD COC(=O)c1cn(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)nn1 296784329 AMAHQXBWSKSEOU-UHFFFAOYSA-N 375.345 -0.283 5 20 GBBD N[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 423646073 PFJKIUYJHLZXHY-ZDUSSCGKSA-N 389.412 -0.171 5 20 GBBD CC1(C)CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCS1(=O)=O 550126774 ZTRQUQATKBTRKP-UHFFFAOYSA-N 391.427 -0.109 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)CC1 593483154 YZYOTEXCKNGPPO-CYBMUJFWSA-N 382.398 -0.429 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)CN3CCCC3)CC2)cc1[N+](=O)[O-] 596112727 TVCPLRHCMVDHIK-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD COc1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 619836041 ZXULZPWDYHCSMZ-UHFFFAOYSA-N 386.386 -0.262 5 20 GBBD O=C(Cn1cnnn1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 737987911 BUPPYBKNHOIFOD-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD O=C(O)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 739635481 RFIBVYJWDKKNPK-JTQLQIEISA-N 398.759 -0.220 5 20 GBBD COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)Cn1cnc([N+](=O)[O-])n1 748867816 DJEQQSJDRUPQMQ-BJMVGYQFSA-N 385.358 -0.291 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 748912903 UXRXUMYXPVIVGH-UHFFFAOYSA-N 395.349 -0.170 5 20 GBBD NS(=O)(=O)c1ccc(NCCn2cc([N+](=O)[O-])cn2)c(-c2nn[nH]n2)c1 822899726 QRCORKOPDWHGDS-UHFFFAOYSA-N 379.362 -0.269 5 20 GBBD O=C1OCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826483494 PETRYLIZDMRDIL-UHFFFAOYSA-N 397.373 -0.105 5 20 GBBD CN1C[C@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1=O 1579319785 CAWFWGRVNNNDGX-SECBINFHSA-N 395.401 -0.078 5 20 GBBD COC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)CC1 1598863658 FQLSOYYFRGDRKM-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998634 BQEJPUPPZBQBTE-NSHDSACASA-N 378.389 -0.494 5 20 GBBD COc1ccc([N+](=O)[O-])cc1OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 14601205 JCHHNDMVZZFRTJ-UHFFFAOYSA-N 389.324 -0.044 5 20 GBBD C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 51424261 NGKOTPHZHPJUPO-CHWSQXEVSA-N 397.457 -0.196 5 20 GBBD COc1cc(CCNC(=O)C(=O)NCC(=O)N(C)C)c([N+](=O)[O-])cc1OC 275564348 HILOXPGGWPWNGO-UHFFFAOYSA-N 382.373 -0.525 5 20 GBBD COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCn1cc([N+](=O)[O-])cn1 440243412 NXTRURSSIWBAGQ-LPWJVIDDSA-N 395.372 -0.074 5 20 GBBD O=C(CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1)N1CCCCCC1 512078556 WAAJCVMZUWTNTB-UHFFFAOYSA-N 379.421 -0.267 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 516423096 ABOIJAGIURHHPE-UHFFFAOYSA-N 393.400 -0.178 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 593483160 YZYOTEXCKNGPPO-ZDUSSCGKSA-N 382.398 -0.429 5 20 GBBD CNC(=O)Cn1cnc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 610236755 SWXLNKZDLMMOMM-UHFFFAOYSA-N 387.312 -0.833 5 20 GBBD NC(=O)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1I 618924498 YOYNTPYQYSTWGX-MRVPVSSYSA-N 379.110 -0.225 5 20 GBBD Cc1c(C(=O)OCC(=O)N2CCNC(=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 733515021 YFNKBNNORDFIID-UHFFFAOYSA-N 388.340 -0.401 5 20 GBBD CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC 799252489 FZPOWPSXTDTHME-UHFFFAOYSA-N 388.402 -0.013 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 856784517 YTPMRNUUTHNADC-MELADBBJSA-N 392.368 -0.204 5 20 GBBD CS(=O)(=O)N1CCC(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1321634362 KIAPFRZQGMQUBL-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@](O)(C(=O)O)C1 1777244049 JBPIFGRKUKWHKF-ZDUSSCGKSA-N 375.359 -0.198 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)[C@H]1CCOC1 1791755333 PPVGASWXNOCLMA-MNXVOIDGSA-N 393.400 -0.052 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1)c1nc[nH]c1[N+](=O)[O-] 1796295733 NHOLXEJDCVEWEO-ILWJIGKKSA-N 375.349 -0.744 5 20 GBBD CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847788871 GDMLZIMKEBUPCC-STQMWFEESA-N 399.429 -0.572 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 68855126 CUQDQIMPRKPXMT-GFCCVEGCSA-N 381.341 -0.128 5 20 GBBD C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 264810581 WXGSWARQTFVVLJ-JTQLQIEISA-N 394.348 -0.441 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 267467157 NQMWIBYGPKVDCU-ZYHUDNBSSA-N 391.384 -0.427 5 20 GBBD O=C(c1cc([N+](=O)[O-])cnc1O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 294724976 XFOMRXBQKMWZIX-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD CNC(=O)[C@H]1CN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CCO1 368470973 QOGMGADJFLDRDA-CYBMUJFWSA-N 380.357 -0.551 5 20 GBBD CN1CCNC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 420279849 TZYIFPCTCNBIEM-CQSZACIVSA-N 399.473 -0.069 5 20 GBBD CNC(=O)Cn1cnc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 460545671 IQCPVCRWIBGIOC-UHFFFAOYSA-N 389.328 -0.704 5 20 GBBD CCOC(=O)[C@](C)(O)CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 468883078 GDVBQHBDZSJPJN-MRXNPFEDSA-N 383.357 -0.237 5 20 GBBD NC(=O)c1ccc(S(=O)(=O)N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)o1 472438480 GXXCLHPGCQPJGV-UHFFFAOYSA-N 398.401 -0.510 5 20 GBBD CCCc1[nH]nc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 484868150 XMMVCKNQIKVBQY-VIFPVBQESA-N 387.418 -0.354 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCCN1C(=O)CNC1=O 521729121 BXJKPCXGDRGKMX-UHFFFAOYSA-N 392.372 -0.548 5 20 GBBD C[C@@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1 542609438 JTAKZGHREHVHRY-GHMZBOCLSA-N 384.414 -0.096 5 20 GBBD N[C@@H]1C[C@@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O 573698858 FNTLWUZMHLOJDH-NXEZZACHSA-N 377.357 -0.494 5 20 GBBD CC(C)(C(N)=O)N1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598603980 MLVBITIZGBAQQK-UHFFFAOYSA-N 379.421 -0.393 5 20 GBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCN1CCCS1(=O)=O 598894688 RMKMQDZUSBNQDA-UHFFFAOYSA-N 385.402 -0.132 5 20 GBBD CN(CCN1CCCS1(=O)=O)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O 611755103 NXIOBBPZYRTKIG-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)N(C)C 726892474 AFUWLCQQOSWSFA-BMLIUANNSA-N 391.384 -0.045 5 20 GBBD CC(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824184540 HIAXGIOWGXORSK-UHFFFAOYSA-N 383.390 -0.175 5 20 GBBD Cn1cc(-c2nn[nH]n2)c(=O)n(C[C@H](O)COc2ccccc2[N+](=O)[O-])c1=O 826356232 HNJBXKBDQXOJON-VIFPVBQESA-N 389.328 -0.925 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 826362885 NCFRSMQCZHZXQP-UHFFFAOYSA-N 378.330 -0.373 5 20 GBBD O=C(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CCS(=O)(=O)CC1 1328567254 SNTLAFNZZRXQPM-UHFFFAOYSA-N 383.382 -0.559 5 20 GBBD Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NCCn3cnc(-c4nn[nH]n4)n3)cc21 1592545856 GGBJLLMJUOZDJC-UHFFFAOYSA-N 385.348 -0.331 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)C3=COCC3)C2)C1 1784762833 ZMULFXWMENMXNG-QGZVFWFLSA-N 391.384 -0.075 5 20 GBBD CC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010892 JNSXARCELJXDCO-GNXNZQSNSA-N 379.373 -0.110 5 20 GBBD O=C(CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CC1 66987227 LWOXERBVXQRPOD-UHFFFAOYSA-N 385.402 -0.549 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 277789024 XCCWATOTQKHQMF-LBPRGKRZSA-N 384.370 -0.330 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 299550234 CAAPOOVGPLBFCS-HUUCEWRRSA-N 383.426 -0.249 5 20 GBBD O=[N+]([O-])c1ccccc1OCCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 507903811 NXBDWBFIMOMEOI-CABCVRRESA-N 385.442 -0.251 5 20 GBBD CN1CCN(C(=O)CN2CCC(N(C)c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 517601683 VLZVINCJCKOWIG-UHFFFAOYSA-N 392.464 -0.358 5 20 GBBD C[C@H]1CS(=O)(=O)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 527047109 KONKVNNLTLAEGU-JTQLQIEISA-N 383.382 -0.034 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)CC)CC2)c([N+](=O)[O-])n1 533174389 FRTFVQICRPIWFV-UHFFFAOYSA-N 395.463 -0.096 5 20 GBBD CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 591113608 PEDSQJAVUUQASK-NSHDSACASA-N 388.402 -0.241 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 596588466 SVWVFMPSFYVRSB-UHFFFAOYSA-N 397.417 -0.238 5 20 GBBD Cc1noc(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1[N+](=O)[O-] 853882997 BRHUIDYGMAWPMU-UHFFFAOYSA-N 378.301 -0.618 5 20 GBBD O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1261674797 IWPYCKOTGXZPMF-BRWVUGGUSA-N 377.397 -0.348 5 20 GBBD CS(=O)(=O)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CCO1 1591671121 HNYBUFKZDNNVCS-QMMMGPOBSA-N 383.390 -0.393 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccno1)C2)c1nc[nH]c1[N+](=O)[O-] 1796402017 WWIPHDVTELFBIQ-DOFRTFSJSA-N 376.329 -0.177 5 20 GBBD CCN(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800164285 FSDMTZPDPIBBDV-RVMXOQNASA-N 394.432 -0.139 5 20 GBBD NC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827582109 QFRDTPAZICTMJG-STQMWFEESA-N 393.448 -0.163 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCO[C@H](CNC(C)=O)C2)cc1[N+](=O)[O-] 265337582 AOIJCQACMWMPEW-CYBMUJFWSA-N 394.384 -0.303 5 20 GBBD COc1cc(C(=O)NCCC(=O)NS(C)(=O)=O)cc([N+](=O)[O-])c1OC 281998928 HNYKXMJWRPTUPW-UHFFFAOYSA-N 375.359 -0.192 5 20 GBBD CCN1CCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)C1=O 297074834 XDROMJQUOQGXLB-UHFFFAOYSA-N 390.400 -0.671 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] 416429602 WGAWKANUMIBMQM-PRHODGIISA-N 387.370 -0.307 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 447920430 XLQVNZLMGLCFIY-GFCCVEGCSA-N 380.357 -0.095 5 20 GBBD CC[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC 458024486 XNGAEFKPCHJQQE-LBPRGKRZSA-N 387.418 -0.303 5 20 GBBD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1=O 471560776 ZRYMCRWFKXQHHB-SECBINFHSA-N 394.369 -0.044 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCN2CCN(c3ncccn3)CC2)c1 566792222 NXLMIERJJKCJRP-HNNXBMFYSA-N 376.421 -0.646 5 20 GBBD COC(=O)C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC 598893735 CAPYZCNTPVMYDM-NSHDSACASA-N 382.329 -0.063 5 20 GBBD NS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 599489074 NLCBLCDKOZYNJL-UHFFFAOYSA-N 382.395 -0.320 5 20 GBBD Cn1cc([C@H](O)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 762528403 VRNLZDYBXMIBLN-CQSZACIVSA-N 376.373 -0.023 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768805203 MJRNGVYOHLMSBS-MRVPVSSYSA-N 397.456 -0.420 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 776707200 HOLBZZOSPGQMLP-SSDOTTSWSA-N 384.413 -0.081 5 20 GBBD CC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785214368 RRXYIDQWGMWRPX-MHEUCROKSA-N 395.416 -0.458 5 20 GBBD CO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787479791 CUTKYAKJIFFHFP-RHYQMDGZSA-N 381.389 -0.054 5 20 GBBD O=C(Cn1ccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1794868675 RKDIUECTABWUKR-GNXNZQSNSA-N 389.372 -0.582 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 138190094 KYWFGDBDGKREQY-UHFFFAOYSA-N 385.354 -0.887 5 20 GBBD CNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 269488833 ZHLOLEBHYPMRLL-BXUZGUMPSA-N 399.381 -0.080 5 20 GBBD O=C(CN1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1)Nc1nncs1 277702040 LCIJBSLMVQLYGG-UHFFFAOYSA-N 393.385 -0.057 5 20 GBBD Cc1cc(F)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 296719705 CDZOTFLIOYAVGG-SECBINFHSA-N 393.331 -0.850 5 20 GBBD CN(C)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 377440595 FHBJXWSHCYUMRR-AAEUAGOBSA-N 386.430 -0.604 5 20 GBBD O=C(O)CCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420597868 WAMNVOFXJCNWLO-UHFFFAOYSA-N 392.368 -0.140 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)c1 438652084 ADVYORXNHAFBNG-AWEZNQCLSA-N 396.429 -0.446 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](OCCN2CCOCC2)C1 483594018 QTOGQNMOCHAFSW-HNNXBMFYSA-N 380.401 -0.294 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 505972352 WCSTVHYPBJPKND-CYBMUJFWSA-N 396.448 -0.064 5 20 GBBD C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 512058706 QCEDCELRODBBLT-KBPBESRZSA-N 393.448 -0.165 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 534100147 VOFRYJODQIHLHI-NWANDNLSSA-N 388.446 -0.180 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 582371727 KJFJSBYSMZQCSH-ZIAGYGMSSA-N 375.385 -0.976 5 20 GBBD C[C@H]1C(=O)N(C)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 592900846 IUKRKTYIGPZYMM-VIFPVBQESA-N 385.402 -0.309 5 20 GBBD COC(=O)C[C@H](O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600467456 NYXYBFGVIZVFEP-NSHDSACASA-N 389.386 -0.745 5 20 GBBD C[C@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 733566187 ZUGPZKRWYDPBLK-QMMMGPOBSA-N 378.297 -0.114 5 20 GBBD COC(=O)c1ncn(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 817369761 GKXBSLLFNDZTAY-UHFFFAOYSA-N 398.401 -0.159 5 20 GBBD NC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCO1 817917814 HZYBVPNBONCVDX-INIZCTEOSA-N 391.428 -0.180 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 839332817 PMULJHFKVRNYDZ-ZDUSSCGKSA-N 389.412 -0.068 5 20 GBBD CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413956 MTSCZOYQDMGZBV-INIZCTEOSA-N 379.373 -0.498 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1782966091 BUAHQKZLTDNGKW-KRWDZBQOSA-N 397.359 -0.583 5 20 GBBD NC(=O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 67984229 RDERIQSFZZUQIO-NSHDSACASA-N 384.414 -0.013 5 20 GBBD CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 264587908 LBJUXDNDECFUPC-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD Cc1cc(N2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)C2=O)n(C)n1 269011794 ACVHMEBRAOTOCP-GFCCVEGCSA-N 376.377 -0.062 5 20 GBBD O=C(CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N[C@H]1CCS(=O)(=O)C1 272200216 GIPXIAHZODOPSL-JTQLQIEISA-N 399.381 -0.253 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 272415046 HECRRSJZCKEYKJ-CYBMUJFWSA-N 385.398 -0.169 5 20 GBBD COC(=O)COCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 287339496 WSLMELKLTCZZFD-UHFFFAOYSA-N 375.359 -0.821 5 20 GBBD COC(=O)Cn1cc(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)nn1 441979207 PXFHNHZMJDXBAI-UHFFFAOYSA-N 397.369 -0.307 5 20 GBBD COc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] 475460246 QNHVFFMEFBQJIL-JSGCOSHPSA-N 399.425 -0.169 5 20 GBBD O=C(COC1CCNCC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 567349836 BEIAGORCXWTKAR-UHFFFAOYSA-N 386.430 -0.242 5 20 GBBD O=C(C(=O)N(CCO)CC(F)F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 572221442 DJLUODPZFKTWLO-UHFFFAOYSA-N 387.343 -0.276 5 20 GBBD COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 577462188 WIFBNFFIXHESDR-SECBINFHSA-N 379.416 -0.192 5 20 GBBD O=C(c1cnn(C[C@@H](O)CO)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 597264003 JJIQKDSVTKBNJX-GXTWGEPZSA-N 376.373 -0.134 5 20 GBBD COC(=O)c1ccnc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1[N+](=O)[O-] 598616786 XRLYHXPWJYVYDB-UHFFFAOYSA-N 397.373 -0.595 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 610261082 BHLFMLKSHYGYGH-UHFFFAOYSA-N 383.386 -0.899 5 20 GBBD CNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748377688 BGNYIXVCMPVXPY-VIFPVBQESA-N 381.345 -0.219 5 20 GBBD COC(=O)C[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 1326574002 XNZVACQUWJRUKQ-AWEZNQCLSA-N 395.368 -0.120 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-])C(=O)OC 1777104619 OFPMICCUOKAEBG-MRVPVSSYSA-N 390.326 -0.324 5 20 GBBD C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419545 DJQSGVKWNYOIIM-MEDUHNTESA-N 379.373 -0.499 5 20 GBBD C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1781239465 GNAVFJCPLJWXRM-ZBEGNZNMSA-N 380.357 -0.234 5 20 GBBD CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1790847283 NLXLTZMXVQBMCJ-OBJOEFQTSA-N 393.400 -0.348 5 20 GBBD CNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 28848796 IFOQKZIPSRBYLA-QMMMGPOBSA-N 382.329 -0.280 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 264647503 WPMQCXVXUBDBOO-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1O 272399861 MRWRGSOGDJOTQJ-LBPRGKRZSA-N 378.385 -0.037 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 282396133 HGRNCNVYFATVOX-UHFFFAOYSA-N 375.385 -0.068 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 288221972 MRXUWEMXCUXLSC-UHFFFAOYSA-N 375.388 -0.366 5 20 GBBD O=C(CNc1ccccc1[N+](=O)[O-])NCCC(=O)N[C@H]1CCS(=O)(=O)C1 299287216 GZKPQZSILBXABU-NSHDSACASA-N 384.414 -0.184 5 20 GBBD O=C(NCCCN1CCNCC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 419874881 UGNIMRBKUTUMQP-UHFFFAOYSA-N 391.428 -0.404 5 20 GBBD CN1CCNC[C@@H]1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 420263232 BQQAXBWZNQITIS-CYBMUJFWSA-N 399.473 -0.069 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 485189624 STEQARROWQQFDR-SNVBAGLBSA-N 399.381 -0.301 5 20 GBBD C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)NC(N)=O 594211530 FCYTVAAOSLTVJA-NSHDSACASA-N 399.429 -0.125 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 609522373 DPNDLLOYJVBVNC-CYBMUJFWSA-N 394.432 -0.509 5 20 GBBD Cc1nc(S(=O)(=O)NCCC(=O)OCCn2cnc([N+](=O)[O-])n2)cn1C 771617737 HCHHNRUOHYFXHV-UHFFFAOYSA-N 387.378 -0.860 5 20 GBBD O=[N+]([O-])c1c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2ccccn12 778580740 HSDABGUZJHSFOT-NWDGAFQWSA-N 381.414 -0.478 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)[C@@H]1CCCOC1 780611100 DAVAFWFFXHFLPX-LLVKDONJSA-N 399.381 -0.055 5 20 GBBD C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 788621562 RYSBFHGJUBHUIF-GWCFXTLKSA-N 398.397 -0.075 5 20 GBBD C[C@@H](OC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 848785502 BVUGBNVNNRVHJP-RKDXNWHRSA-N 386.386 -0.237 5 20 GBBD C[C@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 851328007 SFYVNNARAUGEHZ-CQSZACIVSA-N 397.369 -0.485 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 854590409 ULWAQKMFQPOKRR-GFCCVEGCSA-N 391.427 -0.102 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 916786299 QVKBBDWQMNMYSP-GFCCVEGCSA-N 391.427 -0.035 5 20 GBBD COC(=O)C1CCN(C(=O)[C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CC1 1579442385 GNJGNRFMXDIWJO-MRVPVSSYSA-N 378.349 -0.056 5 20 GBBD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783144861 WURAWXGIUCTCDK-MRXNPFEDSA-N 379.373 -0.498 5 20 GBBD O=C1CCCN1CC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411424 NQWYOTIQIZBUIY-UHFFFAOYSA-N 376.373 -0.243 5 20 GBBD CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]c1[N+](=O)[O-] 1847341512 LCHMKWFWKCPCSY-UWVGGRQHSA-N 379.377 -0.596 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)[C@H]1CCOC1 265577259 XOWSWVWWDHOHHS-JTQLQIEISA-N 379.416 -0.419 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 271834805 ARXSVKAWFSTYQJ-UHFFFAOYSA-N 377.357 -0.287 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cnc(O)c([N+](=O)[O-])c1 281641644 HLFOGAVNOQVNAP-UHFFFAOYSA-N 381.389 -0.442 5 20 GBBD CCOC(=O)Cn1cnc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 425747699 WIRYPFRJADRFMM-UHFFFAOYSA-N 390.356 0.347 5 20 GBBD COc1cccc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 444095323 CGQKYFZXPONXTR-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 462939899 GZCLAQHDTSORTB-UHFFFAOYSA-N 396.385 -0.271 5 20 GBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCCN1CCNC(=O)C1 495416805 ITNFHMGDUFMWOH-UHFFFAOYSA-N 378.385 -0.153 5 20 GBBD Cn1[nH]c(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)nc1=O 541578080 IFGIAHPABYHZNS-UHFFFAOYSA-N 396.429 -0.258 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@](C)(O)CO 555085796 ZOXRHYQGPGBTJD-XPTSAGLGSA-N 375.403 -0.101 5 20 GBBD CNS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 598584651 QYHJEUHPXJJRHO-UHFFFAOYSA-N 392.459 -0.550 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNc1nccnc1-c1nn[nH]n1 738368040 CDWHMYRHVVWVEH-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)OCCn1cc([N+](=O)[O-])cn1 823005225 HTVNBOSVLLJRPA-UHFFFAOYSA-N 386.328 -0.055 5 20 GBBD Cn1cc(S(=O)(=O)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cn1 916823053 SFWUUUJLFAGQLJ-UHFFFAOYSA-N 393.337 -0.571 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 1261306597 HAAKTLCIVCXIDU-UHFFFAOYSA-N 392.412 -0.087 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)cn1C 1341459108 GGLRPMFVEXEBIQ-UHFFFAOYSA-N 397.417 -0.483 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1592937907 VUDWGPFZPBVQDM-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD O=C(c1ccncn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381034 ISAXWXGFLXOOMR-MRXNPFEDSA-N 387.356 -0.135 5 20 GBBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1785525554 RVLUDPCHTRFGJL-KRWDZBQOSA-N 397.359 -0.583 5 20 GBBD NC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789393803 GNGBVUZQDIVTDI-NHCYSSNCSA-N 394.388 -0.816 5 20 GBBD CC(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832795910 HXMRUTDMZXFSNK-KRWDZBQOSA-N 395.416 -0.096 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 46045577 PNGSJZSXPQXIDO-UHFFFAOYSA-N 376.369 -0.077 5 20 GBBD O=C(CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccccc1[N+](=O)[O-] 265404395 ZDAQIPAIVQVHSS-DZGCQCFKSA-N 398.441 -0.379 5 20 GBBD CC(=O)N1CCN(C(=O)CN2C(=O)c3cc([N+](=O)[O-])ccc3S2(=O)=O)CC1 289452300 FBVJRSWXCXFWRL-UHFFFAOYSA-N 396.381 -0.570 5 20 GBBD CN(CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)S(C)(=O)=O 298366330 CUMMKPHZYIYZDH-UHFFFAOYSA-N 398.397 -0.412 5 20 GBBD O=[N+]([O-])c1cnn(CCN2CCN(CCn3cc([N+](=O)[O-])cn3)CC(O)C2)c1 372294805 OKEGBRIFQQDADX-UHFFFAOYSA-N 394.392 -0.425 5 20 GBBD COc1ccc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 414454109 FMAWDUPPAWRYAF-UHFFFAOYSA-N 393.443 -0.388 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O 422674879 XKQZQQLZFYQGJB-VIFPVBQESA-N 396.356 -0.020 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424368595 QCJWKGCTJLMVMF-LLVKDONJSA-N 394.383 -0.524 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c([N+](=O)[O-])n1 533175889 YWZAPQVFNWKDJC-SDBXPKJASA-N 386.390 -0.532 5 20 GBBD NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-] 565484244 KZGJKABBIQARDM-QMMMGPOBSA-N 375.384 -0.116 5 20 GBBD C[C@H]1CN(CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 590628217 UFOWASZZWAVLHX-LBPRGKRZSA-N 386.430 -0.290 5 20 GBBD CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 599214677 AZTRRVSKPKCLQB-UHFFFAOYSA-N 389.415 -0.285 5 20 GBBD CS(=O)(=O)NC1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 603930701 GXROVXXWXHPVIA-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD Cn1cc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(=O)n(C)c1=O 735152015 WANYKZJAMXOUBV-ZDUSSCGKSA-N 388.336 -0.046 5 20 GBBD Cn1cc([C@@H](O)CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 762526314 KFUKDVPCQFOHCT-AWEZNQCLSA-N 397.413 -0.154 5 20 GBBD O=C1CC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 826479852 KHXGHPLHUXUBCK-VIFPVBQESA-N 393.385 -0.230 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591678661 IQVVUMQZFPZXFC-UHFFFAOYSA-N 396.433 -0.236 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2 1793999922 FXZUOMNPUNRKDV-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796083457 ZCFPDZRLEFGIDX-VLEAKVRGSA-N 393.404 -0.838 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401867 OZFCMSNCQFCTGC-ZSBIGDGJSA-N 387.356 -0.375 5 20 GBBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1)c1n[nH]cc1[N+](=O)[O-] 1819654704 VQMNOFBBUBHGNU-QMMMGPOBSA-N 379.333 -0.342 5 20 GBBD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829622423 WWSLTBNJKKVBAR-GOSISDBHSA-N 392.412 -0.448 5 20 GBBD NC(=O)[C@H]1CCCN1CCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 264480851 NNVPRQCTECYQCO-CQSZACIVSA-N 377.401 -0.219 5 20 GBBD COCCNC(=O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265652687 OUATWGXVPFLULM-UHFFFAOYSA-N 388.402 -0.906 5 20 GBBD COCCN1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 282564385 VLNWMSUVUCNOER-UHFFFAOYSA-N 391.428 -0.009 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 298251683 LJFYLXHRKRBMEO-AWEZNQCLSA-N 376.369 -0.202 5 20 GBBD CCOc1ccc(NC(=O)CN2CC(=O)NC[C@H]2C(=O)OC)c([N+](=O)[O-])c1 447911672 FIVHWROPPNHZOQ-ZDUSSCGKSA-N 380.357 -0.095 5 20 GBBD COC(=O)[C@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 485489027 ISIZIILGNIXPPV-CQSZACIVSA-N 389.386 -0.745 5 20 GBBD O=C(NCC(=O)N(CCO)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 496195746 FSGPJWBWJSWURA-UHFFFAOYSA-N 380.401 -0.522 5 20 GBBD N[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F 595263711 KCMPFZXVSMCMPX-CHWSQXEVSA-N 389.409 -0.046 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1COCCN1 599910817 VHOZRGIXDVIPEU-NSHDSACASA-N 387.418 -0.839 5 20 GBBD CCN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 619803590 OLDYZDQCCYWUNE-CYBMUJFWSA-N 399.429 -0.207 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 748117140 DXEDNHMUTSLNAZ-MNOVXSKESA-N 386.386 -0.630 5 20 GBBD Cn1c(=O)nc(O)c2cc(C(=O)OCCn3cc([N+](=O)[O-])ccc3=O)cnc21 761364534 UWKYPEUXXNQGSW-UHFFFAOYSA-N 387.308 -0.039 5 20 GBBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)NCCOC)CC1 917387770 KLUKTNCEUMBQPX-UHFFFAOYSA-N 379.417 -0.161 5 20 GBBD CCOC(=O)[C@H]1CNCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1327088371 ZNUUSKWVWNXSBL-CYBMUJFWSA-N 392.368 -0.316 5 20 GBBD COCC(=O)NC1(CO)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1591366455 PJTLKDOOOZMKCI-UHFFFAOYSA-N 391.388 -0.131 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NCCN2CCC(O)CC2)c1 1607080300 STQNZRJUAHZXKY-UHFFFAOYSA-N 397.417 -0.490 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H]1CO 297557405 BBEOCTSTLGUSJG-OLZOCXBDSA-N 377.401 -0.275 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])n1 533175656 LGDBSFWROIJYCX-VIFPVBQESA-N 381.436 -0.629 5 20 GBBD O=C(NC[C@@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1N1CCOCC1 537390032 RUKIMTXGQMJHIK-GFCCVEGCSA-N 399.425 -0.025 5 20 GBBD O=C(C(=O)N1CC[C@H]2CCN[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591572992 ZDLIAFSPJRNYDA-UKRRQHHQSA-N 388.428 -0.151 5 20 GBBD O=[N+]([O-])c1ccc2ncnc(N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)c2c1 611712897 SFXGNNFTHBSGMX-GJZGRUSLSA-N 393.425 -0.182 5 20 GBBD C[S@@](=O)CCN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 771147246 PLZAZJMHJAYKCW-HSZRJFAPSA-N 376.460 -0.257 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 826366763 WLFYCPOGUOKKPW-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 845680468 LXRLNIGDPDYHKV-ZDUSSCGKSA-N 380.357 -0.573 5 20 GBBD CCc1nc(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1CC1CC1 851474987 CQMCDELWAAYTHK-UHFFFAOYSA-N 383.390 -0.140 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 1258326593 UIJDLFWTVGAOEF-HNNXBMFYSA-N 378.385 -0.383 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)nn1 1777131211 VJZYGLXZIPFSFQ-UHFFFAOYSA-N 399.341 -0.350 5 20 GBBD O=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CN1 1780420001 YMOQZXKOUQHOHQ-DIFFPNOSSA-N 391.384 -0.498 5 20 GBBD O=C1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)N1 1798745279 KYYDLXRPUOSVKG-KVQFHVITSA-N 391.384 -0.595 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 41652881 UPVMPBLAJSOLJH-LBPRGKRZSA-N 384.414 -0.135 5 20 GBBD C[C@H](CN1CCN(C)CC1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 264489674 XZEICBCEMILNOU-GFCCVEGCSA-N 389.412 -0.057 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 265552428 JYSVLSOTDTUCBU-NSHDSACASA-N 390.352 -0.446 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 269832655 DYZCGMWQAIDRIP-CYBMUJFWSA-N 384.414 -0.135 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)[C@H](O)C(=O)OC 277047859 NCILQAQQASPLDS-LLVKDONJSA-N 390.370 -0.028 5 20 GBBD CNS(=O)(=O)c1ccc(NCCNS(=O)(=O)NC(C)C)c([N+](=O)[O-])c1 277184572 NXINJLYQCGJKMC-UHFFFAOYSA-N 395.463 -0.253 5 20 GBBD CC1(O)CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 277711815 JASIDKKMTFVULA-JQWIXIFHSA-N 385.398 -0.688 5 20 GBBD O=C(c1cc([N+](=O)[O-])[nH]n1)N1CCCN(C(=O)c2cc([N+](=O)[O-])[nH]n2)CC1 285805531 URQANMNZWQMWDF-UHFFFAOYSA-N 378.305 -0.063 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473711691 CXGMTADZMQMSEL-AAEUAGOBSA-N 388.340 -0.271 5 20 GBBD O=C(NCc1nc(O)n[nH]1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 480500929 SDIBUVDQJNAKLO-NSHDSACASA-N 396.385 -0.112 5 20 GBBD C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCc2ncc([N+](=O)[O-])cc2C1 495445245 SDRLWQCRNDQVRI-SECBINFHSA-N 388.384 -0.401 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNS(=O)(=O)N(C)C 513133996 RIMISUHJLONMOF-JTQLQIEISA-N 391.454 -0.661 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 579853401 ODSLGLRSHUJBQD-KGLIPLIRSA-N 375.385 -0.515 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 592476552 IYNALWHTJFGPTC-RISCZKNCSA-N 386.430 -0.162 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 593405257 JXLITSYRADYBEL-VIFPVBQESA-N 388.427 -0.368 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 817871691 TVPJUBZTGCMDKZ-NSHDSACASA-N 376.318 -0.177 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788812440 BDUQBFCAGCHVIX-MNXVOIDGSA-N 390.400 -0.561 5 20 GBBD C[C@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16519682 YMLLYOQKXIVFOP-SNVBAGLBSA-N 385.402 -0.516 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n(C)c1=O 121437119 VKVFDEDGHKZROO-UHFFFAOYSA-N 398.379 -0.073 5 20 GBBD O=C([C@@H]1COCCN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262650972 VETZDLRIKSJZGW-AWEZNQCLSA-N 384.414 -0.584 5 20 GBBD Nc1c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cccc1[N+](=O)[O-] 267325255 PIHWIMILUZIJSL-UHFFFAOYSA-N 377.401 -0.206 5 20 GBBD CN(CC(=O)N1CC[C@H](NC(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 270628739 LFZAQAANPCDLAP-JTQLQIEISA-N 385.402 -0.516 5 20 GBBD Cc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 273004890 QBIXQGPMXKSTTC-KOLCDFICSA-N 396.385 -0.216 5 20 GBBD CCN(CCO)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 274472712 XXHZCSMOHKQGCG-UHFFFAOYSA-N 388.446 -0.018 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)O)cc1[N+](=O)[O-] 277219319 HQAURFNFAWHJFW-VIFPVBQESA-N 377.331 -0.113 5 20 GBBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCOCCS(N)(=O)=O 289001433 UCCGTZZMJRPZCO-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD Cc1cc(OCC(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 437578442 JWLGGEKSADPTCK-UHFFFAOYSA-N 386.430 -0.285 5 20 GBBD O=C(CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 438792181 OCAIIFCHMMBKAL-INIZCTEOSA-N 380.449 -0.218 5 20 GBBD Cn1cc(C(N)=O)cc1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 446310639 MYKUGSDCDPNAHG-UHFFFAOYSA-N 395.397 -0.260 5 20 GBBD COc1ccc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 494325631 DDZWUAYKDVNWAY-UHFFFAOYSA-N 379.416 -0.227 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@H](C)C(=O)N2CCOCC2)cc1[N+](=O)[O-] 502047043 VLKATLRDFSOOAP-LLVKDONJSA-N 394.384 -0.303 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1COCCO1 519187403 HGXISJVYMLBPTB-LBPRGKRZSA-N 388.402 -0.412 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733564842 ORMFUNZRSGYAQN-UHFFFAOYSA-N 378.297 -0.194 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)OC[C@H]2C1 764132782 AIALTMUYIGUEAE-GFCCVEGCSA-N 398.397 -0.074 5 20 GBBD CC(C)[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCOCC1 1321985390 XWAWCXGYBNPATA-AWEZNQCLSA-N 382.421 -0.620 5 20 GBBD C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1589888961 FTJUKVZEJAZSHI-DTWKUNHWSA-N 384.374 -0.258 5 20 GBBD CN(C)C[C@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591012711 WGLCXSWFBIRJFY-CYBMUJFWSA-N 385.406 -0.634 5 20 GBBD COCCNC(=O)CN1CCN(c2nc(C)cc(C(=O)O)c2[N+](=O)[O-])CC1 1599241936 HFJRWEUJMICWIR-UHFFFAOYSA-N 381.389 -0.119 5 20 GBBD CNC(=O)C1(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1604876277 WLOSBVMZWFDRNA-UHFFFAOYSA-N 388.388 -0.147 5 20 GBBD Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)Cn3nccc3[N+](=O)[O-])CC2)o1 1606019665 MSAJCQQCKUSJSF-UHFFFAOYSA-N 388.348 -0.383 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)n1 1795525321 YKMHESUEARJUPN-WDAIWFPHSA-N 379.373 -0.840 5 20 GBBD O=C1CC(C(=O)N2CC3(CCCN3C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)=NN1 1845473221 PMCZXNILSNXWBH-UHFFFAOYSA-N 387.352 -0.007 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)c(=O)n2C 248007200 CMIGPDOOCYVIOG-UHFFFAOYSA-N 384.352 -0.069 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 270806277 BMJMCCNRZXVKPM-JTQLQIEISA-N 396.425 -0.163 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 363498015 BUOWIDXBMLSEFW-ZWNOBZJWSA-N 384.414 -0.137 5 20 GBBD COc1cc(S(=O)(=O)NC[C@](C)(O)CN2CCOCC2)ccc1[N+](=O)[O-] 443246966 IKIZGPFUBIOCJF-HNNXBMFYSA-N 389.430 -0.035 5 20 GBBD CC[C@@H](C)[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NCCN1CCOCC1 501209593 OEBUJSCZWGJPNT-OCCSQVGLSA-N 396.448 -0.079 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 542756690 WKKXNHHDFRFGIT-GFCCVEGCSA-N 392.459 -0.070 5 20 GBBD Cc1noc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1[N+](=O)[O-] 595299597 VLJIZCNFPGSBRP-UHFFFAOYSA-N 388.450 -0.499 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CO)CN1CCOCC1 619871130 VGXMIQBFYRGHDM-OCCSQVGLSA-N 380.401 -0.478 5 20 GBBD C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC(=O)O 827826246 MJXZRDLPMVBHBB-RKDXNWHRSA-N 383.313 -0.075 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 845465923 AURVIQHXWWCMNW-UHFFFAOYSA-N 387.399 -0.144 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCS(=O)(=O)C2CCOCC2)nc1 845942490 OMLWXNOFNHXPDO-UHFFFAOYSA-N 379.416 -0.138 5 20 GBBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NS(N)(=O)=O)CC1 858811841 JBNCHRBUARKMHK-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD CCN(CCN)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1118902294 KDUZCLCLIQMLFX-UHFFFAOYSA-N 377.401 -0.314 5 20 GBBD Cc1cc(CN2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)no1 1324318083 YNBFXUUQQUXWBU-UHFFFAOYSA-N 391.388 -0.452 5 20 GBBD CNC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1328382055 XHOXKDXHHVIXPR-SNVBAGLBSA-N 383.430 -0.335 5 20 GBBD O=C(O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 1602299879 SXEIPCHUVCBLJL-UHFFFAOYSA-N 378.341 -0.465 5 20 GBBD CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795209841 PPHJFPUZIXEOMY-DRXBFXEBSA-N 381.389 -0.583 5 20 GBBD O=C(c1cccc(=O)n1O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411202 MMVXEQNOPHCSNR-UHFFFAOYSA-N 388.340 -0.152 5 20 GBBD CCCn1cnc2c1c(=O)n(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c(=O)n2C 174753438 WTYXSIBVRCXQSV-NSHDSACASA-N 377.361 -0.528 5 20 GBBD CN(CC(C)(CO)CO)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 272708521 CZSPJNFJOLCHDE-UHFFFAOYSA-N 389.430 -0.335 5 20 GBBD NS(=O)(=O)CCOCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 296027277 NJNIAGQKEHRVCD-UHFFFAOYSA-N 387.823 -0.168 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 546052263 PKPNHQSKFXRTJP-SECBINFHSA-N 378.432 -0.240 5 20 GBBD Cc1nccn1CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 552881090 IKAYTORVWCOAAY-UHFFFAOYSA-N 387.400 -0.040 5 20 GBBD O=C(NCC(=O)N1CCNCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 582355059 PUIYNTHRNQFKPB-NSHDSACASA-N 395.441 -0.191 5 20 GBBD C[C@]1(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)NC(=O)NC1=O 593561154 KYHQYQKUPQMRQZ-CQSZACIVSA-N 383.386 -0.011 5 20 GBBD CCn1ccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 594997118 XWYCKUHGIMMDRH-UHFFFAOYSA-N 395.397 0.340 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC(NS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 599175464 CDAJDJAXINABFU-UHFFFAOYSA-N 393.447 -0.735 5 20 GBBD Cn1nncc1NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 810368365 UFVFGAKAUXLSJH-UHFFFAOYSA-N 387.356 -0.354 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 825208070 RCPQQQUWCQEMLJ-CQSZACIVSA-N 376.369 -0.422 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 854832146 OLOXGIUKFLHKSJ-UHFFFAOYSA-N 380.408 -0.952 5 20 GBBD O=C(c1cncnc1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383832 UAACHIWCRMPFNH-INIZCTEOSA-N 387.356 -0.135 5 20 GBBD COC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793438577 TZHDYZNSAXFWRI-YFKTTZPYSA-N 381.389 -0.196 5 20 GBBD C[C@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 16520171 UQEPGQRRNOODDI-SNVBAGLBSA-N 385.402 -0.516 5 20 GBBD Cc1[nH]nc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1[N+](=O)[O-] 264756501 NIGSFUHDZMAILD-SNVBAGLBSA-N 375.407 -0.155 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 271087238 HEBPRVCCQCRLPR-ZIAGYGMSSA-N 384.414 -0.098 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCC(F)(F)CO)c([N+](=O)[O-])c1 274344582 FJWQFCAILUBJCR-UHFFFAOYSA-N 382.345 -0.212 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 288320356 UROZENKAOBCFHN-UHFFFAOYSA-N 382.402 -0.094 5 20 GBBD O=C(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)NCCO 439248597 QHCRVXHZOPLIHK-UHFFFAOYSA-N 376.272 -0.641 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(F)F 444048707 WINAPWCPFZNMCR-UHFFFAOYSA-N 380.329 -0.629 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCCO1 449713586 YMNNAQFGSBFFTI-ZDUSSCGKSA-N 386.430 -0.242 5 20 GBBD CNc1nc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] 454790671 GVJGJDODTPDNSA-UHFFFAOYSA-N 390.400 -0.062 5 20 GBBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 469159606 OASWYWKHPGVWQL-UHFFFAOYSA-N 384.349 -0.001 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 501158565 FFBYKSCUIJEMTB-UHFFFAOYSA-N 379.329 -0.999 5 20 GBBD C[C@@H](NS(C)(=O)=O)C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 550105755 AQIJXKHFBRFPHW-SNVBAGLBSA-N 396.429 0.394 5 20 GBBD C[C@@](O)(CO)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 565077690 QKVMBUGMJQRJJO-ZFWWWQNUSA-N 387.414 -0.393 5 20 GBBD CCOC(=O)CNC(=O)C1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 573503114 JAAHNNSEHCQFBB-UHFFFAOYSA-N 393.400 0.563 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCN2C1=O 594877550 VJCQTVPIRMWURG-RYUDHWBXSA-N 389.368 -0.909 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)OCCN1CCN(S(=O)(=O)C2CC2)CC1 797270692 TWHDHSYENKRMEY-UHFFFAOYSA-N 387.418 -0.556 5 20 GBBD NS(=O)(=O)C1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 840380560 CGTCPDMTRAMGLB-UHFFFAOYSA-N 390.443 -0.144 5 20 GBBD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893087 MKEHMTKTZSUTJT-PHIMTYICSA-N 396.381 -0.030 5 20 GBBD CN(C)C(=O)CN1CCN(c2nnc(-c3cc([N+](=O)[O-])cnc3O)n2C)CC1 1263484140 KIKIDIBTNQFYOV-UHFFFAOYSA-N 390.404 -0.299 5 20 GBBD COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1[N+](=O)[O-] 1599561772 GKPREXCQOAPSJQ-NSHDSACASA-N 381.341 -0.078 5 20 GBBD CS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795787967 ASMUHSURBBEHMQ-ZSBIGDGJSA-N 399.429 -0.526 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2)c1n[nH]cc1[N+](=O)[O-] 1798007789 KEEVAUDWUTYDJR-DOFRTFSJSA-N 375.345 -0.442 5 20 GBBD COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1801205193 YZPNTINBOZGNMM-WDAIWFPHSA-N 395.372 -0.518 5 20 GBBD COCC(=O)N(C)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 270305106 STOAKHJTYCTZQK-UHFFFAOYSA-N 388.402 -0.906 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 271400593 CRBAWOCMVFDSAV-ZDUSSCGKSA-N 384.414 -0.135 5 20 GBBD CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CCO1 273476497 FRVIBYXAEPMIDD-NSHDSACASA-N 387.370 -0.483 5 20 GBBD CC(C)[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O 274373859 DZOALHAQSPNUPJ-LBPRGKRZSA-N 387.418 -0.318 5 20 GBBD CCS(=O)(=O)NCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421026470 RUKCKVIROSFYLK-UHFFFAOYSA-N 394.475 -0.256 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 445041466 YZNTWPIDOAUFIN-VHSXEESVSA-N 395.463 -0.050 5 20 GBBD C[C@]1(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC(=O)N1 455610597 BUNZWCJVTUFEGH-OAHLLOKOSA-N 399.429 -0.159 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 459840243 AVDYUWZSMNMEAC-SFHVURJKSA-N 389.412 -0.033 5 20 GBBD Cn1nnnc1CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 504838308 GBYQRHOUBJLGTE-UHFFFAOYSA-N 381.418 -0.156 5 20 GBBD CNS(=O)(=O)c1ccc(N[C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 570285847 ZUPCZDCSXHYFLJ-SECBINFHSA-N 378.432 -0.051 5 20 GBBD C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C 572377830 PCMRZEXZYPEYJS-GFCCVEGCSA-N 394.432 -0.424 5 20 GBBD CCC(CC)(NC(=O)C1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)C1)C(N)=O 579575299 XWASWSRMERAKPU-UHFFFAOYSA-N 379.373 -0.072 5 20 GBBD O=C(NCC(=O)N1CC(N2CC[C@@H](O)C2)C1)NCc1ccc([N+](=O)[O-])cc1 593853809 FGPKCBWTLHSPFN-OAHLLOKOSA-N 377.401 -0.329 5 20 GBBD COc1cc(C(=O)NS(=O)(=O)CC(N)=O)c([N+](=O)[O-])cc1OC(F)F 766926156 GTTPEKCQHPRUFT-UHFFFAOYSA-N 383.285 -0.250 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 773672239 CBBZXKKQEOEJHF-CYBMUJFWSA-N 380.357 -0.303 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(N)(=O)=O 781961049 MNMDONKYKABDLC-LLVKDONJSA-N 399.429 -0.963 5 20 GBBD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCCn1cc([N+](=O)[O-])cn1 789113254 RTYJGJIDVUMOBG-HNNXBMFYSA-N 395.372 -0.050 5 20 GBBD CC(C)(C)OC(=O)CS(=O)(=O)CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 806581995 ILMNPGDMSHCRBS-UHFFFAOYSA-N 389.386 -0.388 5 20 GBBD COC[C@@](C)(NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 831603062 YWZALZGETWOWCJ-CQSZACIVSA-N 389.386 -0.131 5 20 GBBD COc1cc(CC(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)ccc1[N+](=O)[O-] 1845147924 VVJHWUYWNLRVMP-ZDUSSCGKSA-N 391.428 -0.365 5 20 GBBD COc1cccc([C@]2(C)NC(=O)N(NC(=O)Cn3cnc([N+](=O)[O-])n3)C2=O)c1 267016173 IFKRPBBHQXVTLZ-HNNXBMFYSA-N 389.328 -0.307 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H](C)CO 297691621 HPXDDVVMHVZIIM-KBPBESRZSA-N 394.428 -0.166 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 425072169 LICPLSUMXATEAS-VIFPVBQESA-N 384.370 -0.863 5 20 GBBD O=C1NC(=O)[C@]2(CCCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)N1 447749942 FVOUBWFVEDKQSX-MRXNPFEDSA-N 385.340 -0.010 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 522583648 LYDJBFLWLAHKNI-SNVBAGLBSA-N 391.427 -0.576 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 574340307 YRMDNHYOJIGWEK-JQWIXIFHSA-N 383.430 -0.407 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 593792431 PUDJYJNUXBNCAQ-GFCCVEGCSA-N 399.429 -0.456 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 600349174 USIDZYLDSSGZDQ-UHFFFAOYSA-N 384.370 -0.920 5 20 GBBD COC(=O)c1cnc(NCCN2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 616176876 LLPUBRKEJRSCFZ-UHFFFAOYSA-N 387.418 -0.235 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 757314227 ARLOOVFUPXTFSX-UHFFFAOYSA-N 384.374 -0.272 5 20 GBBD NC(=O)C[C@H]1COCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 832751137 NDRKBJNIIJCPMG-INIZCTEOSA-N 391.428 -0.180 5 20 GBBD O=C(NC[C@@H]1COCO1)c1ccc(C(=O)NC[C@@H]2COCO2)c([N+](=O)[O-])c1 861979523 WPTCKIQZOUTDPV-VXGBXAGGSA-N 381.341 -0.200 5 20 GBBD CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N 863552633 UUTGBKXPYYSHRQ-QMMMGPOBSA-N 376.366 -0.294 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1326536246 HFEDUARKRQDSSC-HZPDHXFCSA-N 392.412 -0.148 5 20 GBBD O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 1335302281 XTHDRFBVWFUROL-BZUAXINKSA-N 385.442 -0.284 5 20 GBBD C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)CCCN1 1781140990 AMLIORQKPXIUTK-IAGOWNOFSA-N 392.416 -0.097 5 20 GBBD O=C(CN1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796849919 JPJKFCZKHSTYAY-CLLJXQQHSA-N 392.416 -0.098 5 20 GBBD CC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841085421 QWWOQHXHUSALMR-AWEZNQCLSA-N 392.416 -0.091 5 20 GBBD O=C(c1cc(O)ncn1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998697 JSMNLNXFRWYXTR-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842825182 JMPMNANTVVFHAU-UHFFFAOYSA-N 378.389 -0.533 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)c2cnc(O)[nH]2)C1 1844503108 XMRHDRVGOAXKIH-UHFFFAOYSA-N 375.345 -0.263 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1846002474 TYRNJZRBXLHKOO-LLVKDONJSA-N 378.389 -0.481 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 274973821 CNQQKSYINKRKOE-QMMMGPOBSA-N 382.347 -0.394 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NCCOCCO)cc1[N+](=O)[O-] 275047334 GMLCILFMWHDGAY-UHFFFAOYSA-N 375.359 -0.161 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NCCc2nc(=O)o[nH]2)cc1[N+](=O)[O-] 290035221 CGDPZLSNOXMKOH-UHFFFAOYSA-N 387.330 -0.030 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 298745227 YGRCCKQMUFMULH-UHFFFAOYSA-N 396.385 -0.154 5 20 GBBD CS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1 424472785 PQDTZRGELYUTJN-LLVKDONJSA-N 378.384 -0.314 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1)c1ccccc1[N+](=O)[O-] 424524268 UYCPLMJOJYXOEJ-BXKDBHETSA-N 399.381 -0.518 5 20 GBBD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)C1 565429029 SCDYBPLVCGERFO-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CCNCC2)C1 573723715 VVOUIYLUWSMVNP-UHFFFAOYSA-N 384.414 -0.581 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 583704711 OEXFAMBQCRLWAP-QWHCGFSZSA-N 375.385 -0.134 5 20 GBBD O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)NCCn1cc([N+](=O)[O-])cn1 593537676 IHMWOLMDNBULAV-AWEZNQCLSA-N 379.348 -0.234 5 20 GBBD COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 600326030 IURMTPNGXYXOPG-MNOVXSKESA-N 381.341 -0.290 5 20 GBBD COC(=O)[C@@](C)(NC(=O)c1cnn(C[C@@H](O)CO)c1)c1cccc([N+](=O)[O-])c1 600537859 PANKHFUYFRRNJU-PBHICJAKSA-N 392.368 -0.037 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(S(=O)(=O)CCO)cc2)n1 600651535 ZWGGDDHYGITUQE-UHFFFAOYSA-N 390.399 -0.105 5 20 GBBD Cn1cc(C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(=O)n(C)c1=O 735153720 GNNHJNGTEQZWBO-UHFFFAOYSA-N 388.336 -0.262 5 20 GBBD CN1CC[C@H](C(=O)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)S1(=O)=O 842737088 NDSDMOGIOSPXPZ-GFCCVEGCSA-N 391.427 -0.383 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 850889229 VNQMGYZUXZKNBX-UHFFFAOYSA-N 395.390 -0.036 5 20 GBBD C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261165700 XAAKBIPLTJCIKC-ZDUSSCGKSA-N 394.432 -0.381 5 20 GBBD Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382848 KURVPLYDMDNFDK-OAHLLOKOSA-N 390.360 -0.796 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1781770071 ODZBJFVLZOPUDL-GUYCJALGSA-N 395.391 -0.537 5 20 GBBD C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788816448 ZKUQNNFGHXDSPJ-ZPFDUUQYSA-N 394.388 -0.954 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1)C(O)O 1802920005 KOQAYCCFYBZRTC-ZWNOBZJWSA-N 390.356 -0.657 5 20 GBBD O=C(c1c[nH]c(=O)cn1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000191 ZKKOBVOBNFFCBE-UHFFFAOYSA-N 387.356 -0.608 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c([N+](=O)[O-])c1 15035985 HPWSSKZOPCRZJF-LBPRGKRZSA-N 396.425 -0.075 5 20 GBBD Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCn3cc([N+](=O)[O-])cn3)ccc21 152818789 IGDHNMOTYUCBTF-UHFFFAOYSA-N 380.386 -0.040 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 275117614 NQURFFVICANALG-MRVPVSSYSA-N 396.374 -0.004 5 20 GBBD COCCN(CC(=O)OC)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 281133177 YOHFJLIBECKTPS-UHFFFAOYSA-N 389.386 -0.479 5 20 GBBD COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCn1cc([N+](=O)[O-])cn1 440243407 NXTRURSSIWBAGQ-FDYHWXHSSA-N 395.372 -0.074 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 446327365 VIMMEZLTMDJCSV-GREKMHCPSA-N 386.364 -0.320 5 20 GBBD COC(=O)c1cc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)c(C)c([N+](=O)[O-])c1 459519302 UOYISFFOBKSTTG-UHFFFAOYSA-N 393.356 -0.149 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 583704710 OEXFAMBQCRLWAP-OLZOCXBDSA-N 375.385 -0.134 5 20 GBBD CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 603440038 IYRAUIQONMHRQW-UHFFFAOYSA-N 379.416 -0.044 5 20 GBBD Cn1cnc(C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 810531172 KSRILIJPZJJPKP-UHFFFAOYSA-N 397.369 -0.037 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 863345592 DEEIAFJVOBCSKL-UHFFFAOYSA-N 376.366 -0.103 5 20 GBBD CC1(C)CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 1329712769 WMZHXIIFEMXCLA-INIZCTEOSA-N 381.389 -0.296 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@@H](c2ccc(-c3nn[nH]n3)cc2)C1 1592941391 JJPBWTIHOVIROV-GFCCVEGCSA-N 385.344 -0.034 5 20 GBBD NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789392614 KEMFJMTWHKSHOU-GVXVVHGQSA-N 393.400 -0.218 5 20 GBBD CC(C)(C)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011067 XKAIZKSBKCYJGG-GNXNZQSNSA-N 394.432 -0.091 5 20 GBBD Cc1nc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)no1 1848163158 ZGBQLQXSHDTOTI-STQMWFEESA-N 389.372 -0.073 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 57405085 NDIBJZOJOSRGOB-SECBINFHSA-N 379.416 -0.578 5 20 GBBD C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1c1nccn2cnnc12 269403465 UCDSNOCLBHOVDU-GFCCVEGCSA-N 398.383 -0.069 5 20 GBBD COC[C@@H](O)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 270808080 CLJOIBKEGZKQHS-LBPRGKRZSA-N 375.403 -0.271 5 20 GBBD COC(=O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 276827287 OCVTUAQNDPGNEL-QMMMGPOBSA-N 377.331 -0.068 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c(C)c([N+](=O)[O-])c1 276847408 ILVLQCMIYPJRHE-MRXNPFEDSA-N 381.341 -0.104 5 20 GBBD COC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 280069839 XNCWSWFNSQHLTI-JTQLQIEISA-N 376.391 -0.820 5 20 GBBD COC[C@H](C)NC(=O)NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 298102384 VYNAHSNVYPHQAQ-QMMMGPOBSA-N 390.374 -0.518 5 20 GBBD CCN(CC)C(=O)CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 468911194 KLZFJHVQEBHVOJ-UHFFFAOYSA-N 379.417 -0.231 5 20 GBBD COC(=O)[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 487740685 QRPSYMRFCWCJFU-CYBMUJFWSA-N 380.357 -0.206 5 20 GBBD CN1CCN(C(=O)Cn2cc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cn2)CC1 511367279 NWUCXKSJINNIBC-UHFFFAOYSA-N 388.388 -0.197 5 20 GBBD CCC(CC)(NC(=O)C1CN(CCn2cc([N+](=O)[O-])ccc2=O)C1)C(N)=O 513231354 HUJCXDILWZUXHA-UHFFFAOYSA-N 379.417 -0.151 5 20 GBBD CN(C)CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 593902716 UUXRVUYKVQXTIO-CYBMUJFWSA-N 399.473 -0.293 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N1 599155447 APVINSJNVKYQCC-GWCFXTLKSA-N 384.414 -0.096 5 20 GBBD C[C@H](NC(=O)COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(=O)N(C)C 731525960 MQUHRAMRSPFOMR-JTQLQIEISA-N 390.356 -0.075 5 20 GBBD Cn1cc(C(=O)NS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c(=O)n(C)c1=O 735208500 QYLAVNFXOGMIHR-UHFFFAOYSA-N 386.317 -0.750 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 741619846 QGJWDVXCNPAWQW-UHFFFAOYSA-N 387.370 -0.320 5 20 GBBD CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 750386112 ARKBUQLHNFCIKP-UHFFFAOYSA-N 382.358 -0.607 5 20 GBBD COC(=O)C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)OC 796929801 SZBRWZVDIIYCSQ-GFCCVEGCSA-N 396.308 -0.032 5 20 GBBD CCOC(=O)N(C)C1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1261165436 RBWRQMQYKTUDDB-UHFFFAOYSA-N 396.404 -0.013 5 20 GBBD C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H](CO)O1 1590311250 BFKXDMYJFOMYNB-BDAKNGLRSA-N 384.374 -0.455 5 20 GBBD O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)C1 1785402200 UUJYNQMCTAWPIX-QGZVFWFLSA-N 391.384 -0.400 5 20 GBBD CC(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476571 VAUJLIZXUTYFHM-ZJQBRPOHSA-N 395.416 -0.072 5 20 GBBD COCCNCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 263265858 VBAUVRCISIEUIY-UHFFFAOYSA-N 386.430 -0.336 5 20 GBBD CCN1CCN(CCNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 266871431 XQDGPPSZJCOILT-UHFFFAOYSA-N 399.473 -0.082 5 20 GBBD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCCn1cc([N+](=O)[O-])cn1 269064143 CDJGGPCJCIGPCM-OXHZDVMGSA-N 377.357 -0.540 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] 272896726 ZPLOUGQQHZZONA-UHFFFAOYSA-N 384.414 -0.215 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)C(=O)OC 273652366 GTUXJRIAPPDFRK-JTQLQIEISA-N 390.326 -0.324 5 20 GBBD COC(=O)CNC(=O)c1ccc(NCCCCS(N)(=O)=O)c([N+](=O)[O-])c1 292905798 XAQDFIUUGLFKFI-UHFFFAOYSA-N 388.402 -0.022 5 20 GBBD Cc1cc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)ccc1[N+](=O)[O-] 411392105 SPULALSWKHEJRC-UHFFFAOYSA-N 380.401 -0.005 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424372683 WYEUCMHTJWRKNW-LLVKDONJSA-N 378.384 -0.224 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 468652122 GHBUANIHIUJXRD-LBPRGKRZSA-N 378.341 -0.867 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 544654425 KISSPUUBTYXDDQ-LLVKDONJSA-N 382.398 -0.457 5 20 GBBD Cc1ccc(NCCCNC(=O)C(=O)N2CCN(C)C[C@H]2CN)c([N+](=O)[O-])c1 580294392 WVNPIDVQNNOPSX-CQSZACIVSA-N 392.460 -0.077 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 591572137 WLHCNWDKKCMMOY-BBRMVZONSA-N 391.428 -0.182 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](O)C1 611653745 PCMVNJBYVHKJNZ-LOWVWBTDSA-N 385.398 -0.688 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(CC(N)=O)CC1 746218593 LLOAKMMGZRJURO-LBPRGKRZSA-N 381.437 -0.153 5 20 GBBD CN(C)C(=O)CNc1cc(NCC(=O)N(C)C)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 821578068 MDAOAXDELYTMGN-UHFFFAOYSA-N 391.392 -0.225 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1783175740 FTPGPUKHETVGHX-QFYYESIMSA-N 394.388 -0.714 5 20 GBBD O=C1NC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)O1 1793419008 CWPKSOVHLAWGQB-PKCZLINISA-N 393.356 -0.766 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848092 OZVDWQAYDZDVPS-UHFFFAOYSA-N 390.356 -0.708 5 20 GBBD CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999352 WQDKCFYDGLCMNA-LBPRGKRZSA-N 393.404 -0.558 5 20 GBBD O=C1CN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1 10580834 NBGWSGBIHLFWRG-UHFFFAOYSA-N 398.759 -0.520 5 20 GBBD COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 267657469 BAAVUIODQMYZRG-JTQLQIEISA-N 388.354 -0.072 5 20 GBBD Cc1oc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1S(N)(=O)=O 269290788 DBHYKDJCPKTDEA-FZMZJTMJSA-N 399.381 -0.032 5 20 GBBD CN1CCN(C(=O)CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 283318046 VMTQDARORQYZJC-UHFFFAOYSA-N 398.441 -0.108 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCCn2cc(CO)nn2)ccc1[N+](=O)[O-] 290713370 WYXXDOBFHABBKP-UHFFFAOYSA-N 376.373 -0.077 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1 297828140 KWZOSIGGKBOMKF-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1 369177583 SJTMTIFBNHTTRL-UWVGGRQHSA-N 382.398 -0.026 5 20 GBBD O=C(NCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cc[nH]n1 454781689 VXINMUIHLIGDTM-UHFFFAOYSA-N 388.388 -0.026 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 476371972 DXAIWBBWTSMOHC-GFCCVEGCSA-N 382.421 -0.373 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1 539502772 WBUORFDPZXYZRK-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C(=O)O 548586648 ZTSPMAHQYQMAPP-YGWIHHTISA-N 378.384 -0.190 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)C1 563073617 YAFDADSSBUTKID-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD NC(=O)c1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 596063527 SSRVWHCJFMDOMI-UHFFFAOYSA-N 391.384 -0.799 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1-c1nn[nH]n1 826500289 SBKOTYZBGILARD-QMMMGPOBSA-N 391.373 -0.340 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)O)c([N+](=O)[O-])n1 833681587 HCVUMMNMNXWKMC-DTWKUNHWSA-N 390.374 -0.162 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 839756392 WFWFZDNCALJIDD-UHFFFAOYSA-N 382.402 -0.447 5 20 GBBD O=C(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@H]1CCS(=O)(=O)C1 1116346304 RQLJQOUOIKEOKH-NEPJUHHUSA-N 383.430 -0.221 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1328229455 XCARHOBTJVEJLL-KBPBESRZSA-N 397.409 -0.592 5 20 GBBD O=C(C1CC1)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1592774931 YPPUUMKZXGQEBS-UHFFFAOYSA-N 393.385 -0.025 5 20 GBBD CCCN(CC(=O)NC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1604199753 LLZXHUJUJAEGGV-UHFFFAOYSA-N 383.390 -0.078 5 20 GBBD CN(C)S(=O)(=O)CC1(O)CCN(c2nccc(C(=O)O)c2[N+](=O)[O-])CC1 1777034086 UXAOSJLLYXFAIL-UHFFFAOYSA-N 388.402 -0.089 5 20 GBBD CCC[C@@H](NC(N)=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265255278 ANJANXLGZIKKRC-SNVBAGLBSA-N 387.418 -0.174 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269088802 GLDLDVVVBWGCRF-CQSZACIVSA-N 379.421 -0.261 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 275085440 JJEFTANNHUDDET-VIFPVBQESA-N 394.383 -0.524 5 20 GBBD CCc1nn(C)c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1[N+](=O)[O-] 276318652 OIAVRBGZSOGJGV-UHFFFAOYSA-N 378.393 -0.643 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cnc(O)c([N+](=O)[O-])c1 276652405 ZENDPKZGPHHFFI-GFCCVEGCSA-N 379.373 -0.642 5 20 GBBD C[C@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 423613593 VQLLAJKAVDZSDA-ZDUSSCGKSA-N 389.412 -0.301 5 20 GBBD COCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(=O)OC 428506045 GOFHRGJXHSEBHT-SECBINFHSA-N 375.359 -0.450 5 20 GBBD O=C(NCC1(CO)COC1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 438221831 HWJHFIIEPRBIMI-CQSZACIVSA-N 399.425 -0.127 5 20 GBBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1O)C(=O)NC[C@H]1CCS(=O)(=O)C1 513336689 UFVUNIZFYZNREI-RKDXNWHRSA-N 386.386 -0.635 5 20 GBBD Cn1c(=O)nc(O)c2cc(S(=O)(=O)N=c3cc[nH]cc3[N+](=O)[O-])cnc21 542516155 MJYHMCYDRXCROC-UHFFFAOYSA-N 378.326 -0.440 5 20 GBBD COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599282890 ONBSCGIUBHIHEO-VIFPVBQESA-N 391.406 -0.690 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 609771572 OYWSGEIAWMTLGO-GFCCVEGCSA-N 393.400 -0.300 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C2CCOCC2)c1-c1nn[nH]n1 826500316 TWDOZIPJJMNLGJ-LLVKDONJSA-N 398.401 -0.159 5 20 GBBD O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NC(=O)N[C@H]1CCS(=O)(=O)C1 916466145 DPGUFPWTYDHLKV-ZETCQYMHSA-N 391.383 -0.174 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 1321768360 YAXFIKFCRZREGZ-GXFFZTMASA-N 384.414 -0.078 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 1344623870 QHGVZDKKVIDJFO-UHFFFAOYSA-N 391.428 -0.214 5 20 GBBD CN(C)S(=O)(=O)N1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1591023055 JXPVIGUECBKHEG-UHFFFAOYSA-N 396.433 -0.301 5 20 GBBD COC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1605128532 TUCMEZHIVLWGMW-VHSXEESVSA-N 384.374 -0.455 5 20 GBBD CCN1C(=O)[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(-c4nn[nH]n4)c3)CCN2C1=O 1609227663 HCBBHPDHFIYNRA-LLVKDONJSA-N 387.360 -0.170 5 20 GBBD CN(C)C(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792700882 SGHYCRRUOYJKGV-JGPRNRPPSA-N 393.404 -0.159 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2)c1n[nH]cc1[N+](=O)[O-] 1798008770 KJMMFMGRIPSTEI-AKZRSSKFSA-N 393.385 -0.314 5 20 GBBD O=C1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 1841998395 CFFSJKQHXVISIN-GFCCVEGCSA-N 390.400 -0.479 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 266240860 LEAVTRRSBFDDRM-UHFFFAOYSA-N 386.386 -0.546 5 20 GBBD C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 268048465 NPAOJRSHGJGINB-CQSZACIVSA-N 391.428 -0.088 5 20 GBBD C[C@@H](C[S@](C)=O)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 273097522 NXRYIEXCOIVQKM-JUZXBQNTSA-N 392.459 -0.061 5 20 GBBD C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC(=O)N1 295681986 HDKCLSGDVLLKNA-LLVKDONJSA-N 384.414 -0.060 5 20 GBBD CN(CC(=O)O)[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O 435708394 YYAVAQLRSXNOGY-CHWSQXEVSA-N 395.368 -0.503 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 445190193 KKVAAWLMIQCGHF-GFCCVEGCSA-N 395.416 -0.006 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 495667686 ISXXYFCKFDZEMG-UHFFFAOYSA-N 391.384 -0.790 5 20 GBBD O=C(NCCCN1C(=O)CNC1=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 521999660 YXAAGSDEJRAORW-JTQLQIEISA-N 393.356 -0.150 5 20 GBBD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 543710490 VDRWAODGMDDNST-XHDPSFHLSA-N 377.401 -0.086 5 20 GBBD CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CCO1 567903398 QZDSKADIEYKPTR-LBPRGKRZSA-N 387.370 -0.181 5 20 GBBD O=C(O)c1cccc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1[N+](=O)[O-] 593312818 JJWNJGFIKSWVAH-UHFFFAOYSA-N 393.399 -0.393 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1=O 594783511 IFNQVWWWJLIGTL-UHFFFAOYSA-N 393.381 -0.539 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O 595275830 APTZPUTZJNPRHG-STQMWFEESA-N 375.385 -0.976 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1(CCO)CCOCC1 598106950 HEJVAOSNXJKKJH-UHFFFAOYSA-N 387.414 -0.079 5 20 GBBD CCOC(=O)Cn1cccc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1=O 600651934 LLBMBEIWHIETOZ-UHFFFAOYSA-N 385.358 -0.146 5 20 GBBD C[S@](=O)CCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 609742904 WYEYMSFHBDQOSN-DEOSSOPVSA-N 392.459 -0.059 5 20 GBBD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750761607 RZSZJUWIBWHGMV-QWRGUYRKSA-N 396.381 -0.030 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 764160203 YPLPBHOZLUZHKK-SECBINFHSA-N 384.370 -0.173 5 20 GBBD O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCS(=O)(=O)N2CCOCC2)c1 818990175 YXLCHGZIKMXSFI-AWEZNQCLSA-N 389.430 -0.414 5 20 GBBD CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826060540 NYQJWEBISLNNPA-RKDXNWHRSA-N 395.401 -0.032 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 857710924 LSXJMMAAWQTEAA-UHFFFAOYSA-N 386.390 -0.936 5 20 GBBD O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)N1 1842796356 IHZIGBJHFLPCIX-GFCCVEGCSA-N 376.373 -0.727 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884303 UMKLTQLVWUPKEZ-UHFFFAOYSA-N 390.400 -0.091 5 20 GBBD C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1nccn2cnnc12 269400063 YSIDIGCHYCSNDW-TZMCWYRMSA-N 387.404 -0.199 5 20 GBBD CNC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)OC)CCO1 273060809 CXSOMPNPCLZVEX-GFCCVEGCSA-N 388.402 -0.272 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 273913927 AXGNWYUCVHCVMF-GFCCVEGCSA-N 392.411 -0.136 5 20 GBBD NC(=O)CC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 275061873 JTYOIBQLIHRKIS-SSDOTTSWSA-N 389.342 -0.637 5 20 GBBD O=C1NC[C@@H]2[C@H]1CCCN2C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 367572356 OQTNWFONICMBHS-ZYHUDNBSSA-N 382.398 -0.390 5 20 GBBD O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 420205728 SBCHDKUOCTUSRQ-CYBMUJFWSA-N 377.401 -0.652 5 20 GBBD CN1C(=O)CC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O 425218191 CURMHOKQRWFFDJ-MRVPVSSYSA-N 385.354 -0.208 5 20 GBBD COC(=O)Cn1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nn1 441788198 LJZYOPDLSNUCOH-UHFFFAOYSA-N 376.329 -0.077 5 20 GBBD CN(CC(=O)N1CCC(NC(N)=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 479982650 HPOKDFPPUADGEB-UHFFFAOYSA-N 399.429 -0.125 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 596747826 JZXYGILRLZKCHT-QWHCGFSZSA-N 399.429 -0.367 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 598032297 ZMMAGCCQSAACRL-CHWSQXEVSA-N 385.398 -0.357 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600708221 DOJOVGKWJYXJRO-SNVBAGLBSA-N 399.429 -0.680 5 20 GBBD COC[C@@](C)(CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 613534357 LWQRZYXDULNMNX-CQSZACIVSA-N 375.403 -0.223 5 20 GBBD COc1ccc(CSCC(=O)NS(=O)(=O)CC(N)=O)cc1[N+](=O)[O-] 766924690 XXDNXAJHKXAQFI-UHFFFAOYSA-N 377.400 -0.232 5 20 GBBD CN1C(=O)CN(CC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1=O 860305103 VBCMJCSDPAKQPU-UHFFFAOYSA-N 376.325 -0.079 5 20 GBBD Cn1cc(C(=O)NCCNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])n(C)c1=O 1581762039 DODXCODVTRGHBL-UHFFFAOYSA-N 387.360 -0.346 5 20 GBBD O=C1COC[C@@]2(CNc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)COCCN12 1593400060 ALSSMYFWMYNKQS-CQSZACIVSA-N 376.333 -0.790 5 20 GBBD CCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1801496036 VHMVQNISYSKQAA-GNXNZQSNSA-N 381.389 -0.052 5 20 GBBD CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836507922 BEJRLXASOGEXJW-BZNIZROVSA-N 397.388 -0.577 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841654934 SRUFJGVFHAZJHW-NSHDSACASA-N 378.389 -0.494 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)c1 1843349648 CWFQUKLDBFKJPY-AWEZNQCLSA-N 390.444 -0.236 5 20 GBBD COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 271946254 NHWXPMOHAKGHOB-UHFFFAOYSA-N 384.370 -0.061 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c(C)c([N+](=O)[O-])c1 276945990 VIPXVQNWBKOLEJ-SECBINFHSA-N 378.341 -0.038 5 20 GBBD CC(=O)N1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 499868841 IYDJGOKBHJMACB-GFCCVEGCSA-N 384.414 -0.142 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)N1 572593296 CRQKBHKCXVZPGP-BETUJISGSA-N 376.417 -0.153 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](C)O1 593836089 XXVTWZDOIORCEE-CABZTGNLSA-N 391.336 -0.020 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCCNC(N)=O)cc2[N+](=O)[O-])CC1 735924732 YIPYHHYFQRICQX-UHFFFAOYSA-N 378.389 -0.339 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)O[C@H]1CCS(=O)(=O)C1 771593817 OZZJIQTVORFEOT-NSHDSACASA-N 392.411 -0.007 5 20 GBBD CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCC(=O)N1CCNC(=O)C1 838096695 PNTKAQDZIFRLTN-UHFFFAOYSA-N 382.304 -0.193 5 20 GBBD CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 1117561902 GNQPACLGGNBCEG-ZIAGYGMSSA-N 395.416 -0.314 5 20 GBBD CN(C)CCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1117832401 LUQAKTHYJVEOQE-UHFFFAOYSA-N 391.428 -0.101 5 20 GBBD O=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)=NN1 1794277463 HSEJTJFNGBOMMV-JGPRNRPPSA-N 389.372 -0.695 5 20 GBBD CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795591858 XERIBNJYTVJMRP-PTEHBNRSSA-N 380.405 -0.479 5 20 GBBD CS(=O)(=O)N1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 29463056 WDBNFPACZMLTKX-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD O=C(NCCNC(=O)C1CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 66360832 KMLORUMLAIXMSD-UHFFFAOYSA-N 399.429 -0.302 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 269284401 BQCDCUUFQPEVTD-UHFFFAOYSA-N 389.434 -0.308 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 269287565 CHBCGBJNBPAAFR-CJNGLKHVSA-N 392.324 -0.125 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1C(=O)CNC1=O 276223237 NEPYUPUBRPHCDU-UHFFFAOYSA-N 386.342 -0.789 5 20 GBBD COC(=O)Cn1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nn1 441771271 AVWNQDMPYBQMOA-UHFFFAOYSA-N 392.328 -0.377 5 20 GBBD COC(=O)Cn1cc(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nn1 441936324 USOWHGXDBDXQBC-UHFFFAOYSA-N 391.340 -0.011 5 20 GBBD NC(=O)c1ccc(S(=O)(=O)N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)o1 478427488 BVGSFDMUSVFCHW-UHFFFAOYSA-N 398.401 -0.510 5 20 GBBD COC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC 479910042 CEFCDSYQOGGEAX-QMMMGPOBSA-N 376.343 -0.168 5 20 GBBD CN(C[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O 511090644 NFPAMLMEMCAFOE-OCCSQVGLSA-N 375.451 -0.244 5 20 GBBD CCc1[nH]nc(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 572439963 LOVIATNWXDFEJB-GFCCVEGCSA-N 394.432 -0.115 5 20 GBBD NS(=O)(=O)NC1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 599488782 FEWHYTRMMNDPFS-UHFFFAOYSA-N 392.459 -0.275 5 20 GBBD COCCOC1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1328497361 RSRAUNILZHUTQV-UHFFFAOYSA-N 393.400 -0.488 5 20 GBBD COCC(=O)N1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 1599138786 BAUCOCZCBVWGFG-UHFFFAOYSA-N 380.357 -0.296 5 20 GBBD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)c1 1794902282 ZUYUDVLZYCACCQ-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD NCC(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1807028958 LHYXLOJBHIZPEC-CXAGYDPISA-N 387.400 -0.149 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1846002475 TYRNJZRBXLHKOO-NSHDSACASA-N 378.389 -0.481 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 52719182 WVYLGBXTSIRDDJ-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD COC[C@H](N)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 263252870 POBCOFSKJOVZRF-LBPRGKRZSA-N 386.430 -0.379 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 270943269 XZZWCPOAYSSNCL-JTQLQIEISA-N 385.398 -0.337 5 20 GBBD CNS(=O)(=O)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 276212541 VBJTXWAHGJGOFN-UHFFFAOYSA-N 396.328 -0.200 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 276298277 VLMFTFZPWVRHHV-UHFFFAOYSA-N 390.356 -0.597 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 298144782 FZONPQYLKJBTIO-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 369763089 LOSUVCHSTXEPIV-ZDUSSCGKSA-N 378.385 -0.037 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 538401513 HQWUFVBDLXDLBN-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD CCN1CCN(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C(=O)C1=O 609837684 BPAUWRLZPYPLIN-GFCCVEGCSA-N 390.400 -0.307 5 20 GBBD CCCc1[nH]nc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1[N+](=O)[O-] 731808844 JRCPWDKIZSNUDT-UHFFFAOYSA-N 375.407 -0.338 5 20 GBBD O=C(O)Cn1cc(COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nn1 821539068 QFSXFKDJBBZUPI-UHFFFAOYSA-N 389.280 -0.390 5 20 GBBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1117882205 IDWJOXKNEANTMB-UHFFFAOYSA-N 398.441 -0.301 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1346268456 KDTUIASIEAMOFG-HZPDHXFCSA-N 392.412 -0.148 5 20 GBBD CCN(CCOCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590715501 FUGMBOXJVZCCST-UHFFFAOYSA-N 386.390 -0.206 5 20 GBBD COC(OC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476472 LAEYOSSRJWQFFB-DCAQKATOSA-N 397.388 -0.470 5 20 GBBD COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401534 NSNNVMIBWKYQFS-PTEHBNRSSA-N 397.388 -0.816 5 20 GBBD CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844410781 PHIUPWNDTSBFDD-UHFFFAOYSA-N 385.402 -0.430 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])s1 264212811 UBHYLJMNQIYMDW-VHSXEESVSA-N 375.428 -0.116 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)[C@@H]2CCOC2)cc1 265456472 FPWHTDSQGVTKKT-GFCCVEGCSA-N 379.416 -0.419 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] 267749197 MYBZVZITOSWREU-UHFFFAOYSA-N 384.414 -0.263 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O 274900376 HXOYSBBXLKZYLN-QMMMGPOBSA-N 376.299 -0.412 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 275085438 JJEFTANNHUDDET-SECBINFHSA-N 394.383 -0.524 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 279843195 HRYRQCZZZUSXSD-HNNXBMFYSA-N 399.429 -0.220 5 20 GBBD COc1cc(OCC(=O)NCCC(=O)NS(C)(=O)=O)ccc1[N+](=O)[O-] 282242442 NUIVOPLGBIHRNE-UHFFFAOYSA-N 375.359 -0.436 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)CC1 283489528 IKMWWTUAYWTIDT-UHFFFAOYSA-N 392.459 -0.018 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O 376663497 AUKSGIVEQYUPBH-SECBINFHSA-N 388.789 -0.421 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 472511310 CJLLPMXTNPVXHA-GFCCVEGCSA-N 399.429 -0.207 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 477000065 FRCFLOFOEYVMAB-UHFFFAOYSA-N 393.447 -0.829 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C1CCOCC1 525178863 CGAFPIGBSKSGBJ-AWEZNQCLSA-N 387.414 -0.223 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 535846937 SQCXVBDRXJYSHM-UHFFFAOYSA-N 388.450 -0.157 5 20 GBBD COC(=O)[C@@](C)(NC(=O)c1cnn(C[C@H](O)CO)c1)c1cccc([N+](=O)[O-])c1 600537862 PANKHFUYFRRNJU-YOEHRIQHSA-N 392.368 -0.037 5 20 GBBD C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 611091362 QWMSQKVQMIVUBQ-JTQLQIEISA-N 393.443 -0.188 5 20 GBBD CCS(=O)(=O)NCCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 731695806 IOJOCEFOJPAGRG-UHFFFAOYSA-N 387.370 -0.197 5 20 GBBD O=C(CN1CCCS1(=O)=O)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 781839886 LMBCJRWHLPGGBS-UHFFFAOYSA-N 381.363 -0.426 5 20 GBBD CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591197984 BYXOYECCGHIYDD-QMMMGPOBSA-N 383.390 -0.223 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@@]23CCOC3)c1-c1nn[nH]n1 1609602947 QOSQOYINNFOCIJ-AWEZNQCLSA-N 396.385 -0.045 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CNCC2 262764366 GWZFGMAWNBSBDB-UHFFFAOYSA-N 394.413 -0.328 5 20 GBBD CC(=O)NCCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 299180559 YBOGWLXSMXIQAF-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 299604926 MDKZHKJYODLUIS-UKRRQHHQSA-N 383.426 -0.249 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)cc1[N+](=O)[O-] 416459313 RWCMPHZMHFQZOS-UHFFFAOYSA-N 387.370 -0.793 5 20 GBBD Cc1noc(COCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 522583583 IAHSCXDBAPWPAA-UHFFFAOYSA-N 399.385 -0.102 5 20 GBBD NS(=O)(=O)[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 535230214 MAYAJXVFZPELBB-SNVBAGLBSA-N 384.370 -0.790 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 593792432 PUDJYJNUXBNCAQ-LBPRGKRZSA-N 399.429 -0.456 5 20 GBBD CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 599399802 ZXWSNQGGVGLKOU-XBXGTLAGSA-N 377.401 -0.132 5 20 GBBD O=C(NCCC(=O)N(CCO)CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 611136852 VBQHGEULRLHBCE-UHFFFAOYSA-N 394.428 -0.132 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@H]2COC(=O)O2)cc1[N+](=O)[O-] 763844282 ZXLRCAKIDCMQGY-QMMMGPOBSA-N 389.342 -0.007 5 20 GBBD C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)N1CCOCC1 824428103 PUPXYFZGXZRZEG-SNVBAGLBSA-N 397.417 -0.226 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)c1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-] 830706496 NBYIFBCELTWQMT-ZDUSSCGKSA-N 396.400 -0.462 5 20 GBBD O=C(NCCc1ccc2c(c1)OCO2)C(=O)NCCn1cc([N+](=O)[O-])cn1 1256892972 ZIJJHTQWTISUNE-UHFFFAOYSA-N 375.341 -0.005 5 20 GBBD CS(=O)(=O)N1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1257124982 DWXOGHVRIMDZAO-UHFFFAOYSA-N 384.414 -0.249 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 1257354057 OVOWCSXBLNHQTJ-UHFFFAOYSA-N 394.384 -0.463 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401254 GSPDEUFWHMIZRH-PEGIJTEDSA-N 387.356 -0.375 5 20 GBBD CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401571 OKELMSHPCNLTKI-PTEHBNRSSA-N 380.405 -0.479 5 20 GBBD CCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)COC1 1800384560 JLXRNCXMVJZQGP-ZSBIGDGJSA-N 393.400 -0.052 5 20 GBBD NC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1 1817199762 KLNJZAAMDBFDHL-BQBZGAKWSA-N 394.417 -0.714 5 20 GBBD C[C@@H](Cn1cncn1)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 263744993 PAMCCMWQTYPBCD-NSHDSACASA-N 397.417 -0.148 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)NC)CC1 287166774 CIZGNKFONQSNIG-UHFFFAOYSA-N 392.459 -0.072 5 20 GBBD Cc1cc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)cc([N+](=O)[O-])c1F 288908626 KLRXPGRUZKYMMR-UHFFFAOYSA-N 384.411 -0.283 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@H](O)C[C@H]1CO 363757483 XUKLPLMANCDBQL-NWDGAFQWSA-N 387.414 -0.452 5 20 GBBD CNC(=O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 422164192 UZMUKLQYHPMJRX-NSHDSACASA-N 399.429 -0.349 5 20 GBBD O=C(O)[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O 424370293 SPMXSRFAUNQNPP-LLVKDONJSA-N 378.384 -0.392 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 428177580 SSXNRWHSFVXYGZ-LBPRGKRZSA-N 393.400 -0.317 5 20 GBBD C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CCS(N)(=O)=O)CC1 471031264 GXGYIZRJTGUNTM-GFCCVEGCSA-N 385.446 -0.172 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 531941282 BGUFWIVPPKQTRO-LBPRGKRZSA-N 383.430 -0.083 5 20 GBBD CN(C)CCNC(=O)Cn1cc(NC(=O)N=c2cc[nH]cc2[N+](=O)[O-])cn1 542838070 ZOXZGYRHFHXXIF-UHFFFAOYSA-N 376.377 -0.070 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594758531 CPIKCQRDBJPCOO-XPTSAGLGSA-N 383.386 -0.011 5 20 GBBD NS(=O)(=O)NC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 599647457 PGRLQRXEBGUOIP-UHFFFAOYSA-N 392.459 -0.374 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CC(=O)N(C)C1=O 817370873 UJTFZZSOWPAAQW-UHFFFAOYSA-N 385.402 -0.344 5 20 GBBD COCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 821691202 MPAJMJAHNKDERM-UHFFFAOYSA-N 397.417 -0.272 5 20 GBBD COC(=O)CN(CCN1CCOCC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 825801506 OQHZEQQVEBSROA-MRXNPFEDSA-N 381.385 -0.038 5 20 GBBD CCN1CC[C@H](OC(=O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 849664471 CHFMVRCTPVKZBN-LBPRGKRZSA-N 386.386 -0.182 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 1118195587 OFYHASPNNWKDER-CYBMUJFWSA-N 377.401 -0.573 5 20 GBBD COC[C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC 1323779278 FBEBXQZJEQHGLK-CYBMUJFWSA-N 381.389 -0.584 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCO1 1325217234 JKDUFJLYCWABAY-LBPRGKRZSA-N 385.398 -0.025 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1326962349 GNPRROASCLPVPD-LBPRGKRZSA-N 384.414 -0.596 5 20 GBBD O=C(c1cnc(O)[nH]1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381354 YVXJGHMHXXZVEC-OAHLLOKOSA-N 391.344 -0.496 5 20 GBBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1785547918 KSTFEPUBJBEUDO-DUMMIQTOSA-N 391.380 -0.251 5 20 GBBD NC[C@H](N)C(=O)N1CCC2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 1806931840 HLHNHHUUIDFMLV-AWEZNQCLSA-N 393.448 -0.692 5 20 GBBD CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799158 UNBFZUGFJIHYAY-BDJLRTHQSA-N 397.388 -0.577 5 20 GBBD CC(C)CNC(=O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388940 AFUGLMVFOBPLBW-UHFFFAOYSA-N 378.389 -0.093 5 20 GBBD C[C@H]1C(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264430160 LWQJXDXLXAKLBJ-VIFPVBQESA-N 385.402 -0.609 5 20 GBBD O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc([N+](=O)[O-])o1 363333248 DQSOYIQZWIFXID-UHFFFAOYSA-N 388.402 -0.041 5 20 GBBD O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 420198160 KSHRPESYKKZORP-OAHLLOKOSA-N 377.401 -0.652 5 20 GBBD COCCOCC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421998220 ZNDCMYYWEXDKQS-UHFFFAOYSA-N 375.403 -0.006 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 507156642 ULRVXASARQYJKS-UHFFFAOYSA-N 390.352 -0.266 5 20 GBBD NC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 522903640 JBLAGWKJPZOIIK-UHFFFAOYSA-N 384.414 -0.013 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 532145473 VTXKSBVHEYVGBZ-ZDUSSCGKSA-N 377.401 -0.005 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c([N+](=O)[O-])n1 533175888 YWZAPQVFNWKDJC-OQPBUACISA-N 386.390 -0.532 5 20 GBBD CC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 581481084 PJMNHMMQVUXNAS-UHFFFAOYSA-N 391.384 -0.869 5 20 GBBD COC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 594989983 LCDRXODRVILNEB-UHFFFAOYSA-N 393.360 -0.349 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(=O)n(C)c(=O)n1C 596278282 OIBNZGPOEJPSEF-UHFFFAOYSA-N 397.413 -0.593 5 20 GBBD CS(=O)(=O)CCNC(=S)NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 729154653 CMLXTYDIYATLBJ-UHFFFAOYSA-N 396.472 -0.562 5 20 GBBD O=C1CN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCN1 781413428 USCIGWGDMSLYDH-UHFFFAOYSA-N 377.401 -0.407 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H](N1CCNCC1)C(F)(F)F 1329519554 FVNWCUYFYLTFJR-GFCCVEGCSA-N 377.323 -0.291 5 20 GBBD O=C(c1cnc(O)c([N+](=O)[O-])c1)N(Cc1cnn[nH]1)[C@@H]1CCS(=O)(=O)C1 1578038189 DSSBECAHKZUGQE-SNVBAGLBSA-N 382.358 -0.357 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCN(CCO)CC2)c1 1607079023 DHXZMVCGHBVRBT-UHFFFAOYSA-N 383.390 -0.927 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1779382028 ROIZPCQTZFFWLZ-USBNGQNGSA-N 379.373 -0.468 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1)C(O)O 1802918633 HJPQLHFAPTZOJK-CMPLNLGQSA-N 390.356 -0.657 5 20 GBBD O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 14101383 RNLIEWUSIYDQBA-UHFFFAOYSA-N 398.441 -0.240 5 20 GBBD CN1CC[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 265717693 FNFHJEHJOMVUSM-CYBMUJFWSA-N 399.429 -0.255 5 20 GBBD C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1c1nccn2cnnc12 269403470 UCDSNOCLBHOVDU-LBPRGKRZSA-N 398.383 -0.069 5 20 GBBD CNC(=O)CN1CCC(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 272781247 DYKAVSKZLJCGCQ-UHFFFAOYSA-N 391.428 -0.040 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 278880191 ZMWOKTPTSBBQEB-AWEZNQCLSA-N 384.370 -0.034 5 20 GBBD C[C@@H](O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 296930184 XBDUEVMDJBDBKO-GFCCVEGCSA-N 386.430 -0.602 5 20 GBBD CN1CCNC[C@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 418767257 QLVBQAPBRFIFLW-AWEZNQCLSA-N 390.444 -0.034 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 558217588 NRDJHIQERPLLDA-GFCCVEGCSA-N 389.416 -0.551 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@](O)(Cn2ccnn2)C1 585795716 WTLSLQNBVOHTKQ-SJCJKPOMSA-N 388.384 -0.032 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 603639656 ASIUTABCSBKHSU-UHFFFAOYSA-N 394.413 -0.213 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)OC)cc([N+](=O)[O-])c1C 611407837 IBDVTVRURCONSV-LLVKDONJSA-N 390.370 -0.108 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C 619876087 UYZPFAPPSORHMI-SNVBAGLBSA-N 383.361 -0.843 5 20 GBBD O=C(COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC(=O)NC1CC1 748378449 FZYXMLLEBYYHLF-UHFFFAOYSA-N 393.356 -0.075 5 20 GBBD CS(=O)(=O)CCNC(=S)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 757934533 CFRCSNBGBBKQFA-UHFFFAOYSA-N 395.484 -0.123 5 20 GBBD CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1119787970 NOJTYLQMDAUBJM-UHFFFAOYSA-N 398.441 -0.253 5 20 GBBD Cn1c(-c2n[nH]cc2[N+](=O)[O-])nnc1N1CCN(C(=O)N2CCOCC2)CC1 1123003914 XJIAOHJHXZIJMB-UHFFFAOYSA-N 391.392 -0.312 5 20 GBBD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844385821 SHRZQTZXCIKHKF-LLVKDONJSA-N 394.388 -0.714 5 20 GBBD CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 262556101 WOPWVIKNAQQTMS-UHFFFAOYSA-N 380.357 -0.462 5 20 GBBD NC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCO1 265612173 SGFFRLOJKACUBW-CYBMUJFWSA-N 394.340 -0.593 5 20 GBBD Nc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] 267290231 ZHQFXJDGTXDIDN-WCQYABFASA-N 384.414 -0.595 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 270368683 JCJAEUQEQODPCV-UHFFFAOYSA-N 382.402 -0.013 5 20 GBBD C[C@]1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 272853695 RBGOKYQNYOFCQQ-RBOXIYTFSA-N 399.425 -0.298 5 20 GBBD NS(=O)(=O)c1cnn(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 299489925 FTFWCTHVIOZQKP-UHFFFAOYSA-N 394.413 -0.213 5 20 GBBD C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 423695320 BRBWQJCINQNAER-JTQLQIEISA-N 383.430 -0.254 5 20 GBBD O=C(c1ccc(NCCn2cc([N+](=O)[O-])cn2)nc1)N1CCS(=O)(=O)CC1 468715489 OVHJRQJXOZVFMV-UHFFFAOYSA-N 394.413 0.169 5 20 GBBD CCn1cc(S(=O)(=O)NCc2cccc(S(N)(=O)=O)c2)c([N+](=O)[O-])n1 533632113 XRWBVEFTOVXFTG-UHFFFAOYSA-N 389.415 -0.063 5 20 GBBD COc1ccc(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1S(N)(=O)=O 539899965 LPVOJRLVPVBKKO-UHFFFAOYSA-N 383.386 -0.194 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)c(C)c([N+](=O)[O-])c1 567832419 CHQURIVJGZUFRM-UHFFFAOYSA-N 378.341 -0.038 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCS1(=O)=O 569474244 NLTVJWSPFSCZFL-NSHDSACASA-N 386.338 -0.310 5 20 GBBD Cc1[nH]c(=NC[C@H](O)[C@@H]2CCCO2)[nH]c(=NC[C@@H](O)[C@@H]2CCCO2)c1[N+](=O)[O-] 599131648 AAJXKIKIGUXSLY-RFGFWPKPSA-N 397.432 -0.559 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N1 599155454 APVINSJNVKYQCC-ZWNOBZJWSA-N 384.414 -0.096 5 20 GBBD CCOCCNC(=O)COC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 753468349 YNDLCPJEONMYGE-UHFFFAOYSA-N 389.386 -0.140 5 20 GBBD CO[C@@H](C)CS(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 764216134 LIOBMUWRIAERPH-QMMMGPOBSA-N 385.354 -0.328 5 20 GBBD O=C(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@@H]1CCS(=O)(=O)C1 1116346305 RQLJQOUOIKEOKH-NWDGAFQWSA-N 383.430 -0.221 5 20 GBBD CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1256993943 WRZXCDQKJNBTPS-GFCCVEGCSA-N 384.414 -0.249 5 20 GBBD CN1C(=O)NC2(CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CC2)C1=O 1331329165 ZIEJIUJBXWMXIH-UHFFFAOYSA-N 391.388 -0.258 5 20 GBBD O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)N1CCCC1 1592874793 RFZPPWSPQFMCBU-UHFFFAOYSA-N 381.374 -0.324 5 20 GBBD CN(Cc1nnc2n1CCNC2=O)c1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] 1604826614 FEBDMCSYBCZVEY-UHFFFAOYSA-N 388.323 -0.115 5 20 GBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1609537411 OVTGYFGRROTUCR-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787476312 GRAAKTWRTICBNS-NHCYSSNCSA-N 389.372 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010394 OQNIGGKPKUUXDD-AKZRSSKFSA-N 391.344 -0.736 5 20 GBBD CO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1846405552 PKZOOLNQZWPVKJ-LBPRGKRZSA-N 378.385 -0.005 5 20 GBBD O=C(C(=O)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 46037190 IMZDQWFWQUZIMN-UHFFFAOYSA-N 392.412 -0.023 5 20 GBBD COc1ccc(CC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 67277593 ZLYSWXZMOJVSRT-LLVKDONJSA-N 399.425 -0.092 5 20 GBBD CN(CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 273337433 VTGOEMWLIOZHHZ-UHFFFAOYSA-N 379.416 -0.624 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])[nH]n3)CC2)cn1C 286873147 ZDFURPVNXSKSGJ-UHFFFAOYSA-N 383.390 -0.493 5 20 GBBD NC[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 423146345 AHQSKLIPZTZSPY-HNNXBMFYSA-N 377.401 -0.571 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCO1 423159947 YYNCYGOAGXZFPC-MRXNPFEDSA-N 391.428 -0.180 5 20 GBBD C[C@]1(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC(=O)N1 455620882 JBFWMXDMBWEKHX-OAHLLOKOSA-N 399.429 -0.159 5 20 GBBD Cc1c(C(=O)N[C@H]2CCCS(=O)(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 469962528 KQHLIOXGECUYQB-VIFPVBQESA-N 391.427 -0.142 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2nccn3nnnc23)CC1 530902792 CVMTZRHKVSSUHC-UHFFFAOYSA-N 390.385 -0.062 5 20 GBBD NC(=O)c1ccnc(Nc2ccn(CC(=O)N3CCOCC3)n2)c1[N+](=O)[O-] 578289335 PZACZSRGAQSIKV-UHFFFAOYSA-N 375.345 -0.112 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C1 600326511 QYKYBYRAMSZMGS-UHFFFAOYSA-N 396.381 -0.378 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 609737585 PQVFPYFRSMJIQO-LBPRGKRZSA-N 399.429 -0.456 5 20 GBBD COC[C@@H](C)S(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 733714765 KJJBALBPKKYGFD-MRVPVSSYSA-N 385.354 -0.328 5 20 GBBD COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 821657639 RZGXRMGXGGOZQO-VIFPVBQESA-N 398.357 -0.663 5 20 GBBD O=C(O)CNC(=O)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 917722577 YHVHAKCKWXRRNQ-UHFFFAOYSA-N 396.175 -0.164 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1328229456 XCARHOBTJVEJLL-KGLIPLIRSA-N 397.409 -0.592 5 20 GBBD CC(C)CNC(=O)C1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1335673712 NAEDRLPKZFNFOS-UHFFFAOYSA-N 394.432 -0.082 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1=O 1347139729 QZTVSBMPPWGJCD-UHFFFAOYSA-N 394.384 -0.463 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784712131 LYEPJDNYFJPQCM-CXAGYDPISA-N 393.400 -0.342 5 20 GBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1835551107 BGVPMYYFAMSVJI-KRWDZBQOSA-N 396.375 -0.237 5 20 GBBD Nc1c(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc(F)cc1[N+](=O)[O-] 265781537 KDVMZIPNBYXEAM-QMMMGPOBSA-N 375.382 -0.039 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 276458556 ICHRQVCGWACTOU-KBPBESRZSA-N 385.398 -0.784 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1 298082920 GYSKXUFDEWOLFT-SCRDCRAPSA-N 399.425 -0.298 5 20 GBBD Cc1c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 392591302 KKAVYDROMNNRJO-ZDUSSCGKSA-N 391.427 -0.142 5 20 GBBD COc1cc(CCNC(=O)C(=O)N2C[C@@H]3CNC[C@@H]3C2)c([N+](=O)[O-])cc1OC 419021791 KUYRSQBQQWJSOE-BETUJISGSA-N 392.412 -0.052 5 20 GBBD O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422275139 ZYVHMSCNYIVXIU-CYBMUJFWSA-N 388.428 -0.009 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 423688340 XIFJQWRVIZLIJS-CYBMUJFWSA-N 389.412 -0.301 5 20 GBBD CNC(=O)c1ccc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 433423327 IUEABBLERYBINA-NSHDSACASA-N 384.414 -0.306 5 20 GBBD NC(=O)Cn1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 476811577 YJSOLEKODSMNHC-UHFFFAOYSA-N 383.342 -0.151 5 20 GBBD NS(=O)(=O)CC1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 480955731 HVPGAEHUEKZELN-UHFFFAOYSA-N 378.432 -0.253 5 20 GBBD CN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523123372 BYYPKFREXRYNFK-UHFFFAOYSA-N 384.414 -0.061 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 542904125 DKCNQLZTHJPSMW-CYBMUJFWSA-N 378.341 -0.706 5 20 GBBD O=C(O)c1cc([N+](=O)[O-])cc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 583634978 OXUDIAPKIMOKIW-UHFFFAOYSA-N 393.399 -0.393 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 594820917 DEJZRLXYQUIGDS-QWHCGFSZSA-N 378.428 -0.131 5 20 GBBD CCN(C)S(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 744238809 KRXBEBHYHJOVRF-UHFFFAOYSA-N 394.431 -0.472 5 20 GBBD CCN(C(=O)COC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 746594511 FBBIGTVKKYAFIG-NSHDSACASA-N 388.402 -0.240 5 20 GBBD COC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(N)=O 760060187 MXRYSYKPBBAWDW-ZDUSSCGKSA-N 393.400 -0.507 5 20 GBBD CCNC(=O)CN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 821286874 YSRHLKIJZDXSLP-UHFFFAOYSA-N 383.390 -0.078 5 20 GBBD CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@H]21 821628406 HXJOOXNTYJBIDG-GHMZBOCLSA-N 395.401 -0.522 5 20 GBBD NC(=O)CNC(=O)c1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 822869456 VWWHGQXTMZYUQT-UHFFFAOYSA-N 397.355 -0.003 5 20 GBBD O=C(CN1C[C@@H](CO)[C@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 859450677 TUVOHSTWRSYEGS-GJZGRUSLSA-N 378.429 -0.224 5 20 GBBD COC[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)OC 1325938049 UZZTWKDTBSAROK-LBPRGKRZSA-N 381.389 -0.584 5 20 GBBD Cn1c(=O)[nH]c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(-c2nn[nH]n2)c1=O 1581747987 MFFBKSGIDKIHEP-UHFFFAOYSA-N 399.371 -0.512 5 20 GBBD O=C(O)[C@H]1CC(=O)N(C2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)C1 1605973657 CWRJTIVDRCTLLM-NSHDSACASA-N 392.368 -0.319 5 20 GBBD CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844157578 WDJOSVJLIKOKBA-LLVKDONJSA-N 396.360 -0.801 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCn1cncn1 263713767 ABHMDDNWYVOSGL-UHFFFAOYSA-N 383.390 -0.536 5 20 GBBD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 266561590 XZGOQAFBWVQZCR-ZFWWWQNUSA-N 397.432 -0.114 5 20 GBBD C[C@H](O)c1cn(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 268871791 QHEWEXBYAAAMIN-JTQLQIEISA-N 398.401 -0.666 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC(N)=O)cc1[N+](=O)[O-] 275044426 GBRINWGRNPDRES-UHFFFAOYSA-N 389.346 -0.364 5 20 GBBD Cc1c(C(=O)N2CCN(C[C@@H](C)O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 275489776 WESIKHZGXBRTEN-SNVBAGLBSA-N 386.430 -0.311 5 20 GBBD NC(=O)c1cncc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 426605598 OQKIDQPIDCKFAF-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC(=O)NCC(F)F 435935341 KUMLLULXCPXVOZ-UHFFFAOYSA-N 394.356 -0.239 5 20 GBBD COC(=O)[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O 443676177 PIDMCPNKTQXBKE-NOZJJQNGSA-N 389.386 -0.698 5 20 GBBD CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)Cn1cnc([N+](=O)[O-])n1 481172123 SWJJDMCSDXOSTP-UHFFFAOYSA-N 384.374 -0.629 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN(C(=O)CO)CC2)c([N+](=O)[O-])c1 502169029 PVJXHKNDLMTIPY-LLVKDONJSA-N 394.384 -0.473 5 20 GBBD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599291879 UOZIBFYKKCQWIA-HTQZYQBOSA-N 377.379 -0.937 5 20 GBBD COC(=O)[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599456481 MBCIAFQDVYZYDL-UWVGGRQHSA-N 376.391 -0.035 5 20 GBBD CN1CC[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 615929276 XLYXIIGLFRHHKJ-SNVBAGLBSA-N 399.429 -0.219 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 619763506 YTXCIRWQQZFINU-UHFFFAOYSA-N 398.445 -0.098 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N 619874860 KXJCSNRWYQITHC-LBPRGKRZSA-N 380.357 -0.303 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 748117143 DXEDNHMUTSLNAZ-QWRGUYRKSA-N 386.386 -0.630 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 845198931 RRMPDDRCKXJMQN-UHFFFAOYSA-N 392.365 -0.046 5 20 GBBD O=C(O)[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 1320742434 QYJARZJTYYKCFC-JTQLQIEISA-N 377.350 -0.202 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1324523032 WKHXVHDLBDKVLV-CQSZACIVSA-N 398.441 -0.206 5 20 GBBD CN1CCN(CCCN(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 1340104390 FPSMBFKHXDHMPD-UHFFFAOYSA-N 399.473 -0.048 5 20 GBBD C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590179821 HKHCGUHKPMPFHU-MRVPVSSYSA-N 381.374 -0.326 5 20 GBBD O=C(c1cc(O)no1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779674538 ODXOHLAOLRECAN-HNNXBMFYSA-N 392.328 -0.231 5 20 GBBD CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1800527368 LXATUKTVBSEVGE-ADGXKJENSA-N 394.384 -0.084 5 20 GBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC(=O)N1CCCC1=O 11388129 ZDIIZDOVZZXLFW-UHFFFAOYSA-N 375.293 -0.117 5 20 GBBD CO[C@@H](C)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 276063163 RDFPRMSIMSUVPP-LOWVWBTDSA-N 387.414 -0.130 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(CCN2CCOCC2)C1 378171796 SVWNHXAULLWJGW-AWEZNQCLSA-N 381.437 -0.503 5 20 GBBD COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 419827846 RNLMBWHHBHYJPK-LBPRGKRZSA-N 396.331 -0.047 5 20 GBBD CC(C)(N)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 420060483 QFCWAGQCKORQRA-UHFFFAOYSA-N 383.430 -0.206 5 20 GBBD CN1C(=O)NC2(CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)C1=O 428139017 ASUCIVLFHJGLCQ-UHFFFAOYSA-N 383.386 -0.237 5 20 GBBD CNc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] 523697395 CRJQDHMVKJZLMY-UKRRQHHQSA-N 398.441 -0.136 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 537748197 JHVZPRCWUJNGGD-VIFPVBQESA-N 381.436 -0.487 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O 569260354 RJRMJYBASUZWDM-KBPBESRZSA-N 375.385 -0.976 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC(N2CC[C@@H](O)C2)C1 593854794 DPKKJFAYSGPVJO-GFCCVEGCSA-N 384.414 -0.850 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 598031457 XDWIPNOTTUPYFP-CHWSQXEVSA-N 381.370 -0.283 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCOC2)CC1 598151324 WKZXFOPASHABNK-CYBMUJFWSA-N 398.441 -0.194 5 20 GBBD CN(CC(=O)O[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739175091 UBNCRRKRGZUUBD-LLVKDONJSA-N 392.411 -0.054 5 20 GBBD COC(=O)C(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 778316096 CYTUUQMAELZRDH-SECBINFHSA-N 388.354 -0.111 5 20 GBBD CC1(C)OCC(CO)(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CO1 834479731 SIHHJOJLEOWQMP-UHFFFAOYSA-N 393.352 -0.179 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[C@H](CN2CCCC2=O)C1 1261711634 ALQXPRONVBATTH-GFCCVEGCSA-N 378.389 -0.622 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2)c1ccc([N+](=O)[O-])o1 1792356009 GDHWTIKTRBZBKY-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD C=CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999816 JODIAULSXMHNHM-GFCCVEGCSA-N 390.400 -0.315 5 20 GBBD O=C(CCN1CCOCC1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411366 GXCGEUNFDHBXEN-UHFFFAOYSA-N 392.416 -0.143 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)CCn2ccnn2)C1 1846622169 RPWJDYWSOFMAJX-UHFFFAOYSA-N 388.388 -0.324 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1O 269291009 USWJMFONFMPVEM-GFCCVEGCSA-N 378.385 -0.037 5 20 GBBD Cn1cnc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 271109150 YWRRAHAKWPQZEE-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD O=C(O)CC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 275154936 ZGLJLMPEKUBVMZ-ZETCQYMHSA-N 390.326 -0.038 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC(C(N)=O)=NO1 289737434 TXZWYMYBCYOKGX-SECBINFHSA-N 387.374 -0.181 5 20 GBBD COC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 298189343 CVGNZXZDFIXYPJ-ONGXEEELSA-N 387.370 -0.992 5 20 GBBD Cc1[nH]c(=NC[C@]2(C)CCC(=O)N2)[nH]c(=NC[C@]2(C)CCC(=O)N2)c1[N+](=O)[O-] 413330746 AWQGQDCITGMUNV-IRXDYDNUSA-N 391.432 -0.302 5 20 GBBD CN(CC(=O)N[C@@H](CO)[C@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 468661124 OQAIBFDYJKSXSK-UONOGXRCSA-N 387.414 -0.129 5 20 GBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 474532503 DXQJCQBVORBPIW-PIGZYNQJSA-N 389.368 -0.181 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 563216150 FXTRYQPWXOQDII-LLVKDONJSA-N 385.354 -0.888 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@H](CN)C1 568869551 RVKVCPJHGJWGCR-MRXNPFEDSA-N 390.444 -0.655 5 20 GBBD COc1cc(CCNC(=O)CNS(=O)(=O)N(C)C)c([N+](=O)[O-])cc1OC 590415552 CJROWWAIAXSATR-UHFFFAOYSA-N 390.418 -0.333 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 593792211 LMHGEVNPJNBZQJ-PWSUYJOCSA-N 384.414 -0.137 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(N2CC[C@@H](O)C2)C1 593853873 HAWBFJZCVYNQDZ-CQSZACIVSA-N 398.441 -0.459 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 596749751 SDHQCNPGBNVFNV-VXGBXAGGSA-N 387.418 -0.050 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 603526395 RTSDWPYBAIKZBO-UHFFFAOYSA-N 386.386 -0.112 5 20 GBBD Cc1nnc(CN2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)n1C 737522774 QKRIUQUBIHKSNN-UHFFFAOYSA-N 385.392 -0.071 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 761640258 MMBOJEZRKHQWRX-UHFFFAOYSA-N 387.462 -0.039 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC(=O)NS(C)(=O)=O 800550263 UHSLFTTYYKZPIL-VIFPVBQESA-N 390.422 -0.591 5 20 GBBD CN1CC[C@@H](C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])S1(=O)=O 842719066 FVKWBEOGZNPETD-LBPRGKRZSA-N 386.386 -0.317 5 20 GBBD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893734 DPSHAUNTLMGNIG-PHIMTYICSA-N 394.365 -0.254 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)O3)c1 1593473902 GFGIBAFFLQYURI-AOOOYVTPSA-N 382.358 -0.437 5 20 GBBD CCNC(=O)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1604352786 ZWCNVERDACIBCG-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788816447 ZKUQNNFGHXDSPJ-BLFANLJRSA-N 394.388 -0.954 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1794001265 VFXDFEGGRMJYJJ-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD NC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 66986910 KJZVIBPPZBVCJY-UHFFFAOYSA-N 399.429 -0.220 5 20 GBBD CCc1[nH]nc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)c1[N+](=O)[O-] 281803019 TVOLTNMMJBXCJM-UHFFFAOYSA-N 382.421 -0.257 5 20 GBBD CN(CCCO)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 281979019 PSWNDTPGAUTJAP-YPMHNXCESA-N 387.414 -0.441 5 20 GBBD CN(CCCNC(=O)COc1ccc([N+](=O)[O-])c(CO)c1)S(C)(=O)=O 428071615 GDADGZYJSFZHNP-UHFFFAOYSA-N 375.403 -0.136 5 20 GBBD Cn1cc([C@@H](CO)NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 481874722 UKWVLPWXSQPLBS-CQSZACIVSA-N 397.413 -0.154 5 20 GBBD CCN1CCN(C(=O)CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 552653638 JKERGHBHHXOZMX-UHFFFAOYSA-N 377.401 -0.395 5 20 GBBD C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)N1CCN(C)CC1 555559821 SXLKWHPZIHOQJZ-NSHDSACASA-N 385.446 -0.392 5 20 GBBD Nc1nccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1[N+](=O)[O-] 565185281 JIHKBGCJRROKAO-JTQLQIEISA-N 387.418 -0.210 5 20 GBBD CN1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 577083176 QQIICZISNJKHSN-ZDUSSCGKSA-N 385.446 -0.347 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N1 599155453 APVINSJNVKYQCC-MFKMUULPSA-N 384.414 -0.096 5 20 GBBD Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CC2)n[nH]1 784165410 OYSZBHVJTKHNMS-UHFFFAOYSA-N 381.418 -0.009 5 20 GBBD COC[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)O 790616532 OKSHCSKSXGGBOO-SECBINFHSA-N 389.342 -0.071 5 20 GBBD Cn1nnc(COC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 799460978 VMHUBWOKJIREEZ-UHFFFAOYSA-N 390.765 -0.207 5 20 GBBD O=C(O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 817890471 UBICGOFCKFKJPP-CQSZACIVSA-N 392.368 -0.445 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1261304421 SFNVXCASTXKFSB-UHFFFAOYSA-N 398.441 -0.301 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1609538139 WHFMJUZTDLHNAA-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD CN(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795436552 HNJIGQIKRKEERM-GNXNZQSNSA-N 380.405 -0.527 5 20 GBBD CC(C)CNC(=O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1843432530 KEJOTVGDWLWURY-UHFFFAOYSA-N 378.389 -0.093 5 20 GBBD Cc1c(C(=O)N2CC[C@H](N3CCNCC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 262447529 VMBFQZPLAXSDEC-LBPRGKRZSA-N 397.457 -0.330 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 263665742 JPAOILOBYRDTJG-ZDUSSCGKSA-N 399.473 -0.375 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 264048002 LMFYAQKIKAAWQU-DGCLKSJQSA-N 385.398 -0.472 5 20 GBBD NC(=O)c1ccc(SCC(=O)NCCN2CCNC(=O)C2)c([N+](=O)[O-])c1 272651430 FNDSWXQLPSRUHJ-UHFFFAOYSA-N 381.414 -0.666 5 20 GBBD COC(=O)c1cn(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 273413866 QHYWINSWEXZJQK-UHFFFAOYSA-N 397.369 -0.437 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 273706533 OYHIFJBQWLDUQT-NSHDSACASA-N 392.459 -0.070 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NCCc2nc(=O)o[nH]2)cc1[N+](=O)[O-] 290152799 NRJGRSIBJOPVCF-UHFFFAOYSA-N 399.341 -0.251 5 20 GBBD CC[C@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 293704726 NRNODLYAZMSKQJ-LOWVWBTDSA-N 387.414 -0.394 5 20 GBBD CCCNCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419923291 GKOHVWDPDUWLMU-UHFFFAOYSA-N 391.428 -0.005 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H](O)[C@H]1CCOC1 475532145 REPFPIDKRKZOLC-FZMZJTMJSA-N 387.414 -0.223 5 20 GBBD Cn1c(=O)c2c(ncn2CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)c1=O 484712994 MDCKBTUUYIQOPU-UHFFFAOYSA-N 398.335 -0.362 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 484865055 ORCRWDRRWOBJLY-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCF 504525511 KFQJIPJWKOGGDW-SNVBAGLBSA-N 390.393 -0.146 5 20 GBBD CC1=NNC(=O)[C@@H]1CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523139789 LWRCTKJIURGEKM-CYBMUJFWSA-N 397.413 -0.157 5 20 GBBD COC[C@](C)(O)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 575242306 ILSWZMSCHPANMC-AWEZNQCLSA-N 375.403 -0.271 5 20 GBBD O=C(NCc1nn[nH]n1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 609577551 SOBUXRXZBSQBCD-LLVKDONJSA-N 381.374 -0.423 5 20 GBBD O=C1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCN1 726849391 RYZDOWILXAPODX-UHFFFAOYSA-N 385.402 -0.595 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 784468260 QNSBUOJGCMHJOC-UHFFFAOYSA-N 375.345 -0.376 5 20 GBBD Cn1c(=O)c2nc(COC(=O)c3cc([N+](=O)[O-])c(F)cc3N)[nH]c2n(C)c1=O 785367708 UWLIGEYTRLENBF-UHFFFAOYSA-N 392.303 -0.053 5 20 GBBD CN(CCOCCO)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839210590 BNORVCIXVSAERI-UHFFFAOYSA-N 380.401 -0.289 5 20 GBBD O=C(Cn1cccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795869767 XZVYBJAKWCAJII-PTEHBNRSSA-N 389.372 -0.582 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)c1 1844701864 FXDNNPUACYGGLZ-AWEZNQCLSA-N 390.444 -0.236 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 16520164 GTLQJDGEXIRJAY-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2CCOCC2)CC1 29087133 JZBHNUVLWJZPSK-UHFFFAOYSA-N 392.412 -0.023 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 47476788 UJLMLECKFCJIQC-UHFFFAOYSA-N 376.369 -0.077 5 20 GBBD CC[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)NC(=O)Cn1cc([N+](=O)[O-])cn1 264651616 GQQSADXWGDEQKY-JTQLQIEISA-N 394.348 -0.393 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(Cl)c1 271002262 GIJFCCDLWRSXSQ-RYUDHWBXSA-N 376.822 -0.077 5 20 GBBD CC(C)N(CC(N)=O)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299666927 RTNLRVBZUUSXBL-UHFFFAOYSA-N 387.418 -0.234 5 20 GBBD N[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 419875000 WGNCLUMYEMKTHH-LLVKDONJSA-N 395.441 -0.206 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 477123362 WXGOYGWHPPJFIF-JTQLQIEISA-N 378.432 -0.288 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](O)C(F)F 489401332 WJEYNOPJRWCNJG-JTQLQIEISA-N 382.345 -0.202 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1C(=O)CCC1=O 505930887 UBGOUNQWMCNRRA-UHFFFAOYSA-N 376.325 -0.415 5 20 GBBD Cc1nc(CN2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CC2)n[nH]1 542280448 NWCOPUPGJKYBNU-UHFFFAOYSA-N 381.418 -0.009 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN([C@H]3CCC(=O)NC3=O)CC2)c([N+](=O)[O-])c1 799106030 SXGSYSPILUETNM-ZDUSSCGKSA-N 396.425 -0.075 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1328427985 XDJOMWYLDLUBNG-DZGCQCFKSA-N 391.380 -0.138 5 20 GBBD Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](NC(=O)CCOCc2cnn[nH]2)C1 1577675502 UYMMJNVNYLZOGD-PHIMTYICSA-N 378.393 -0.210 5 20 GBBD COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403323 HVKZWQPYHGRDOP-ILWJIGKKSA-N 383.361 -0.860 5 20 GBBD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC2(CCCN2C(=O)C(O)O)C1 1841235913 JSTDDAWYBKDRLT-UHFFFAOYSA-N 377.353 -0.343 5 20 GBBD COC(=O)NCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1846510909 LLHAVBGEDRNTSL-UHFFFAOYSA-N 380.361 -0.649 5 20 GBBD Cc1c([N+](=O)[O-])cc(C(=O)O)cc1S(=O)(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 366625047 BQTOLKHTWKOOSB-JQWIXIFHSA-N 399.381 -0.121 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 417323065 NVIQJGURBWGMOS-LBPRGKRZSA-N 387.418 -0.839 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 467043173 BWSREUNDASWKCS-UHFFFAOYSA-N 392.347 -0.164 5 20 GBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 474532500 DXQJCQBVORBPIW-APPDUMDISA-N 389.368 -0.181 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cn(C)c(=O)n(C)c1=O 516876819 IYRGRTRMTBEYOJ-VIFPVBQESA-N 379.377 -0.137 5 20 GBBD NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 531585282 OJZYJFOLGCZALM-NSHDSACASA-N 395.441 -0.110 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N(C)[C@H]3CCNC3=O)c([N+](=O)[O-])c2)CC1 533910563 HUFFGUNKEKCWCM-AWEZNQCLSA-N 397.457 -0.144 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] 570582701 GKBYWPWHFPXTDD-VIFPVBQESA-N 385.358 -0.688 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 578446945 LPSNWINGXYTMNE-LBPRGKRZSA-N 398.445 -0.145 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 603810667 UJWRUDXAWCMPHE-UHFFFAOYSA-N 390.352 -0.114 5 20 GBBD Nc1c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc(F)cc1[N+](=O)[O-] 608961745 DQIKMNYCZFHKHR-UHFFFAOYSA-N 378.324 -0.713 5 20 GBBD O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCN1C1CC1 823535827 IUKHDKGYCQMXBZ-UHFFFAOYSA-N 393.385 -0.230 5 20 GBBD COCCN1CC[C@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 1322549135 BHKYUDFGEQRRIF-ZDUSSCGKSA-N 380.401 -0.073 5 20 GBBD COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1323045543 YEBCYQMPUWNZPU-AWEZNQCLSA-N 379.369 -0.017 5 20 GBBD CC(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008912 OCSBZWFCDWURLX-GNXNZQSNSA-N 381.389 -0.054 5 20 GBBD CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834983445 HDQSROLARJPSEH-MRXNPFEDSA-N 397.388 -0.576 5 20 GBBD CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839829458 FBCVHRQTDMPRDS-INIZCTEOSA-N 395.372 -0.633 5 20 GBBD CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1841134079 IHOPZUDMQDBSQE-UHFFFAOYSA-N 379.377 -0.594 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)c2ccnnc2O)C1 1844610108 KVQJGGSUUZVUEN-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD COCCN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 264711133 BMEPNGGAYGOXFI-UHFFFAOYSA-N 396.447 -0.714 5 20 GBBD O=C(NCCCOCCO)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 272659496 MPZONNGSDJRGMA-UHFFFAOYSA-N 390.418 -0.429 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 274133473 WKPKTPTXELHVFQ-NSHDSACASA-N 382.354 -0.117 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nc3sccn3c1[N+](=O)[O-])C2 276285920 JETJYLMSTXARPO-UHFFFAOYSA-N 392.401 -0.229 5 20 GBBD COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 444439417 VEVLIRZQCRRQEH-ZFWWWQNUSA-N 394.384 -0.081 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 517865983 AIHCNNKIBIMEDG-SECBINFHSA-N 399.381 -0.301 5 20 GBBD CN(C)C(=O)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 526082385 ZKDIGTOVBZSQND-UHFFFAOYSA-N 397.413 -0.855 5 20 GBBD O=C(C(=O)N1CCn2cncc2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 560631077 KGGXDSVCSPVSEY-UHFFFAOYSA-N 385.384 -0.123 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H](CO)CN1CCCC1 590372340 NWOLKKLQUCXSRG-GFCCVEGCSA-N 378.385 -0.107 5 20 GBBD O=C1NCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 595658668 GXQCEZSTUMUUMQ-ZDUSSCGKSA-N 397.413 -0.501 5 20 GBBD CN(C)CC(=O)N1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598588099 YNSBIVPKPFRACE-UHFFFAOYSA-N 379.421 -0.568 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598596429 QHJOTZUXCSERLX-LLVKDONJSA-N 386.434 -0.274 5 20 GBBD COC(=O)CC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCOCC1 599302119 FRGAYJUWRWDZRH-UHFFFAOYSA-N 376.391 -0.034 5 20 GBBD CCn1nncc1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 599399443 SNWXTZRFSVDMPU-UHFFFAOYSA-N 388.388 -0.434 5 20 GBBD Cc1cc(C(=O)NCC(=O)N(C)CC(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-] 610723726 CVGJHLWUSJSVIH-UHFFFAOYSA-N 391.428 -0.135 5 20 GBBD Cn1cc([C@@H](O)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 762528398 VRNLZDYBXMIBLN-AWEZNQCLSA-N 376.373 -0.023 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839334591 VLHHFIKMEGDMQV-CYBMUJFWSA-N 389.412 -0.068 5 20 GBBD COc1ccc(NC(=O)COC(=O)CN2CC(=O)N(C)C2=O)c([N+](=O)[O-])c1 860303326 FKSLYPVTAZVSLO-UHFFFAOYSA-N 380.313 -0.021 5 20 GBBD Cn1ncc(CCC(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 861404974 HAPXKNINXXXQDF-UHFFFAOYSA-N 383.386 -0.134 5 20 GBBD C[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 1261328458 GYXWHAJHRZUZQY-SFHVURJKSA-N 390.396 -0.138 5 20 GBBD O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 1318715514 NWCQROHPSPMFQO-UHFFFAOYSA-N 385.402 -0.252 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[C@@H]2C1 1328866040 DXGXHMNRZZBNMW-VXGBXAGGSA-N 396.425 -0.142 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 1329360031 OOJABKDLFJUEPZ-LBPRGKRZSA-N 386.368 -0.171 5 20 GBBD O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] 1336619460 JWNGSOTYZRZCOJ-HUUCEWRRSA-N 398.441 -0.691 5 20 GBBD CN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCNC1=O 1348383953 RCMPEIITQWUTEI-AWEZNQCLSA-N 375.385 -0.410 5 20 GBBD O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1CCS(=O)(=O)C[C@@H]1CCO 1607083611 JQCHMJUSDJSWJP-JTQLQIEISA-N 382.402 -0.244 5 20 GBBD COc1cc(CCNC(=O)Cn2ccc(=O)[nH]c2=O)c([N+](=O)[O-])cc1OC 11081774 CFXZSOBUWCXTQO-UHFFFAOYSA-N 378.341 -0.179 5 20 GBBD CO[C@H](CN)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262907962 QIIUSNUOOMIAOR-ZDUSSCGKSA-N 386.430 -0.209 5 20 GBBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCS(N)(=O)=O)ccc1[N+](=O)[O-] 263763412 HNWJRLYTYXAFPY-CYBMUJFWSA-N 384.414 -0.087 5 20 GBBD CS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298652678 FGGNKJOPTCWRMK-UHFFFAOYSA-N 377.444 -0.054 5 20 GBBD CCS(=O)(=O)N1CC(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 438937029 XAVHMISLCFBBRQ-UHFFFAOYSA-N 384.414 -0.278 5 20 GBBD NS(=O)(=O)CCN1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 471018024 IFQWMFUAULAFID-HNNXBMFYSA-N 397.457 -0.394 5 20 GBBD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 487118861 MOQJQZDYMHQXCS-MNOVXSKESA-N 394.384 -0.103 5 20 GBBD CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])CCO1 565060768 HEIRBVGHTYOSAH-JTQLQIEISA-N 387.370 -0.181 5 20 GBBD COCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])CC1 577639462 NPEOYBJHHUIKRO-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD C[C@H]1C(=O)N(C)CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 591933456 NLXYBEWZOIZXQH-JTQLQIEISA-N 385.402 -0.297 5 20 GBBD CN(Cc1cn(C)nn1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 596198287 YJGFLYBSIWSLRD-UHFFFAOYSA-N 397.417 -0.157 5 20 GBBD Cc1cc(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] 600086305 UMVJQHHKHGQXHC-UHFFFAOYSA-N 385.402 -0.551 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)Cn3cncn3)CC2)c([N+](=O)[O-])c1 604484621 YBLZDPUCTMGTLF-UHFFFAOYSA-N 394.413 -0.061 5 20 GBBD Cc1ncc([N+](=O)[O-])cc1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 730015632 UNWYNDUFARHQJB-UHFFFAOYSA-N 388.340 -0.098 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733564532 LMRCQKNKUINHQX-UHFFFAOYSA-N 394.296 -0.494 5 20 GBBD CC1(CCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)OCCO1 806376297 NENVGEXRYCHVIE-UHFFFAOYSA-N 393.400 -0.092 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1329729246 JTPIRFGJYVRIOB-NSHDSACASA-N 396.425 -0.165 5 20 GBBD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)c1 1794905194 JXYFAUOJEIMFTK-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830519029 LMBGOZDHJYQINY-BDJLRTHQSA-N 397.388 -0.841 5 20 GBBD CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792691 AOKAMJPSMRPPSP-BLLLJJGKSA-N 397.388 -0.841 5 20 GBBD CNC(=O)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)c1ccccc1 53767845 ASWYEKQAEWWNIN-AWEZNQCLSA-N 387.352 -0.541 5 20 GBBD CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 264135513 ZLVGKYSJLFXEFU-UHFFFAOYSA-N 379.417 -0.231 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 267260425 WMCYSXIJANCTAH-LSDHHAIUSA-N 399.425 -0.724 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 277745547 ITUPTXVKPNLJQW-KBPBESRZSA-N 399.425 -0.481 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 288192277 JXDOEPBSICJHHD-UHFFFAOYSA-N 383.386 -0.185 5 20 GBBD Cc1c(C(=O)NC[C@H]2CCCS2(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 326968874 PIRNBOCOZVXHKL-SECBINFHSA-N 391.427 -0.142 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 411419053 GIGOZUPONJBOFI-LBPRGKRZSA-N 375.341 -0.087 5 20 GBBD O=C(O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 414612175 MFDUCWJZHDLNCZ-SNVBAGLBSA-N 386.386 -0.011 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H]1N 423161786 SHKKVTBMGHAPHE-WDEREUQCSA-N 395.441 -0.254 5 20 GBBD O=C(C(=O)N1CC[C@@H]2CNC[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423588300 GNRFYDOCZWQZDB-ZIAGYGMSSA-N 388.428 -0.294 5 20 GBBD Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424364425 DOPIDJHJTMGEAR-LLVKDONJSA-N 378.384 -0.224 5 20 GBBD O=C1CN(C(=O)c2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CCN1 518283995 RFVWHHBKTDYZNH-UHFFFAOYSA-N 386.368 -0.320 5 20 GBBD O=C(CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)NCCN1CCOCC1 522031794 LJWQZVYJFAKJIT-UHFFFAOYSA-N 394.384 -0.456 5 20 GBBD COc1cc(CCNC(=O)C(=O)NC[C@@H]2COCCN2)c([N+](=O)[O-])cc1OC 599945367 FNECEKBIPOMDDP-GFCCVEGCSA-N 396.400 -0.625 5 20 GBBD O=C(CCCN1C(=O)CNC1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 603575593 KDBIXJRTHPODKL-UHFFFAOYSA-N 376.373 -0.030 5 20 GBBD COC(=O)CCNC(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 749601832 AKIKMQAHGDLQMD-UHFFFAOYSA-N 381.297 -0.275 5 20 GBBD CS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750760883 DEKNAPWNODYUIP-JTQLQIEISA-N 392.415 -0.391 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 917446255 KYLVOOLAROEMNQ-LLVKDONJSA-N 395.390 -0.037 5 20 GBBD C/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839813494 MQNVIICKYXVDJY-KZSQQDEKSA-N 379.373 -0.036 5 20 GBBD CCCNC(=O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265261358 CZICRIJDVIPSIT-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD COC(=O)Cn1cc(CCOc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])nn1 269448576 VHWQEOSDTIGSQP-UHFFFAOYSA-N 385.358 -0.372 5 20 GBBD CN(CC(C)(CO)CO)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 281317281 SMPNTYAMJYKTIE-UHFFFAOYSA-N 375.403 -0.678 5 20 GBBD O=C(CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCNCC1 577832030 FLJCCSGSXWEESB-UHFFFAOYSA-N 377.405 -0.747 5 20 GBBD CCN1C[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 593826347 WKBGJTGTNVRKIV-NSHDSACASA-N 384.414 -0.142 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 598863207 BPQYMYKXHVAOFT-BXKDBHETSA-N 385.354 -0.569 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C2 804643688 DADIDJHBNDPNIY-UHFFFAOYSA-N 391.344 -0.030 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 1261165577 VCIXNIVWOWDLJV-WBMJQRKESA-N 381.389 -0.296 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[C@H]2C1 1328315687 NOCBEJGGLAUNRO-NEPJUHHUSA-N 396.425 -0.142 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1 1593473649 DDHZOOZFTTXOAQ-QMMMGPOBSA-N 382.280 -0.024 5 20 GBBD O=C(Cc1cc[nH]n1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1782792518 VSYQXCNXJHVDBY-INIZCTEOSA-N 389.372 -0.273 5 20 GBBD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)ccc1[N+](=O)[O-] 1795527238 JJPOTHCMCQBPTP-IVWMJMPLSA-N 392.412 -0.306 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1800527377 LXATUKTVBSEVGE-BTABJRDXSA-N 394.384 -0.084 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)C(O)O)C2)c1 1841236074 NNOZKFAQRGPDTR-UHFFFAOYSA-N 378.385 -0.212 5 20 GBBD NC(=O)c1nccnc1C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1844596153 KORYDQVCZYAZDF-UHFFFAOYSA-N 399.367 -0.057 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 269287564 CHBCGBJNBPAAFR-BBRMVZONSA-N 392.324 -0.125 5 20 GBBD NS(=O)(=O)c1cccc(N2CCN(CC(=O)NC3CC3)CC2)c1[N+](=O)[O-] 272520215 NQRLJPSENNDNAB-UHFFFAOYSA-N 383.430 -0.357 5 20 GBBD CCS(=O)(=O)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 281002730 RLKHSRGLPPFJPW-SNVBAGLBSA-N 393.443 -0.188 5 20 GBBD CNC[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419963121 YRWLMKMBHYPABN-ZDUSSCGKSA-N 391.428 -0.149 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@H]2C1 431592205 LZZCSDMSHDWHBC-LBPRGKRZSA-N 397.413 -0.501 5 20 GBBD C[C@](O)(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)CN1CCOCC1 478550504 FOBFOOZEVHHXKK-KRWDZBQOSA-N 390.400 -0.012 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCCc2nc(O)n[nH]2)cc1[N+](=O)[O-] 480040364 ITSZGYGFZCQWKK-UHFFFAOYSA-N 378.345 -0.094 5 20 GBBD O=C(C(=O)N1CC[C@H]2CNC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 515634396 HNHJUMXTWZLJHY-UONOGXRCSA-N 388.428 -0.294 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 584433722 NMMGSNBUZBVEBB-GXTWGEPZSA-N 387.462 -0.054 5 20 GBBD NS(=O)(=O)c1cccc(N2CCN(S(=O)(=O)C3CC3)CC2)c1[N+](=O)[O-] 599131913 ZRQCNUKILWHQCW-UHFFFAOYSA-N 390.443 -0.144 5 20 GBBD O=C(NCc1nn[nH]n1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 609532953 SOTJGKLISREWTG-LBPRGKRZSA-N 395.401 -0.033 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 770774818 GURCRLRFUBQWNE-SNVBAGLBSA-N 395.390 -0.037 5 20 GBBD C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@H]1CN(C)CCO1 824641803 ZDNLTRWOMCRIOP-GXSJLCMTSA-N 397.417 -0.228 5 20 GBBD CN1C(=O)C(=O)N(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 840091664 BXVFYQFFWKOKND-UHFFFAOYSA-N 375.341 -0.269 5 20 GBBD CNC(=O)CCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1117092449 NGCXXBIOIBPNMN-UHFFFAOYSA-N 377.401 -0.114 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 1328397864 NDTGIKIOYSPOSJ-AWEZNQCLSA-N 377.353 -0.120 5 20 GBBD O=C(c1ncon1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382836 LRSCHAAQVILIEF-CQSZACIVSA-N 377.317 -0.542 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)C1CC(O)C1 1792890801 RNCNUFPDKDTHLM-GJWIWDBRSA-N 379.373 -0.708 5 20 GBBD O=C(C(O)O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829159168 TVOMDDVOFFFJTM-LLVKDONJSA-N 381.389 -0.138 5 20 GBBD O=C(O)CSCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1846389809 BCHYPWOSHYDODT-UHFFFAOYSA-N 397.413 -0.188 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 269366024 QUDVSPSNBMPVFU-UHFFFAOYSA-N 375.407 -0.250 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1[N+](=O)[O-] 276775641 CECBRXOHSVCONY-QMMMGPOBSA-N 390.330 -0.620 5 20 GBBD O=C1[C@H]2[C@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 277974673 SIFAWZDLLHWULC-CHWSQXEVSA-N 398.397 -0.339 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 298020418 CEJMINUOXDAFNR-UHFFFAOYSA-N 399.429 -0.113 5 20 GBBD Cc1cc(S(=O)(=O)NCCOCCS(N)(=O)=O)c(C)cc1[N+](=O)[O-] 416491655 ZYZLBPUEBXEGCD-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD O=C(NCC1(CO)COC1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 438221828 HWJHFIIEPRBIMI-AWEZNQCLSA-N 399.425 -0.127 5 20 GBBD CNS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 440142066 CYSWWQXOCYTVRX-SECBINFHSA-N 390.443 -0.074 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 468641821 MUJNBIMMECGOEG-LLVKDONJSA-N 379.325 -0.592 5 20 GBBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 471326660 ILRFOBMOVJDAJI-OCCSQVGLSA-N 385.398 -0.784 5 20 GBBD CN1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 519093773 ZBUWBVAFLHRCJP-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD CC(C)(C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)n1cc([N+](=O)[O-])cn1 522478041 DHTUBTTWGRGROK-UHFFFAOYSA-N 394.432 -0.471 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 576112056 VTQCVYOULBQGAY-SNVBAGLBSA-N 398.397 -0.530 5 20 GBBD COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] 594826800 OAEJNBGMOWSMAO-BXKDBHETSA-N 380.400 -0.306 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 600555087 HUCMPPYRXUGBCX-UHFFFAOYSA-N 395.401 -0.427 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 610410821 AQLQSZMNMHFRJN-VIFPVBQESA-N 378.432 -0.253 5 20 GBBD Cn1cc(-c2nn[nH]n2)cc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 822645669 JVZFXCMGHLYJAV-UHFFFAOYSA-N 378.330 -0.373 5 20 GBBD CC1(C)C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824784062 NMBTULDCFFQZDD-UHFFFAOYSA-N 381.374 -0.326 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 850606054 OFXVZWBEOMAPRX-MWLCHTKSSA-N 389.361 -0.091 5 20 GBBD COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 1323906854 VXIGTFYVCSROGJ-LBPRGKRZSA-N 379.373 -0.291 5 20 GBBD C[C@@H](N)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1589912571 KDMMLNHWPJUANC-SCZZXKLOSA-N 383.390 -0.488 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O)c1ccc([N+](=O)[O-])c2c1OCO2 1792899169 VWAKCYZUOWAKNK-ILWJIGKKSA-N 393.352 -0.114 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCOC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404122 FJDKYVLTTKCTIX-RVMXOQNASA-N 393.400 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798012099 UIBZNRCJLPWYEQ-NRWUCQMLSA-N 393.400 -0.052 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836629519 QNMIYLALGVGSIV-UHFFFAOYSA-N 397.388 -0.759 5 20 GBBD CN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 265838632 WJLZKPNYJDIJER-LBPRGKRZSA-N 385.402 -0.597 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)OC 268213108 AQGFHJCXSFWZHQ-VIFPVBQESA-N 376.343 -0.014 5 20 GBBD CN(CC(=O)N[C@@H]1CCC(=O)NC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 269574763 OHATVZWNDYSRID-LLVKDONJSA-N 384.370 -0.863 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1C[C@@H](C(=O)O)CC1=O 274932859 DMGMXLQXSFKGQU-VIFPVBQESA-N 387.370 -0.185 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 294598854 HVYNGMMNGKVMDL-UHFFFAOYSA-N 387.418 -0.773 5 20 GBBD CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298107095 XUWWCJGWDOATHQ-OCCSQVGLSA-N 398.441 -0.507 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@H](O)C[C@@H]1CO 372654348 PZILVTBABUOCGT-NXEZZACHSA-N 381.341 -0.351 5 20 GBBD O=C(N[C@H]1CCCNC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419847682 UHBRXSIARZQIOK-AWEZNQCLSA-N 389.412 -0.253 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@H](CO)CN2CCOCC2)cc1[N+](=O)[O-] 425284976 FDYPXYCCIDZTIZ-ZDUSSCGKSA-N 396.400 -0.858 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCCNC1=O 458413575 OXTLHOVAGPVKLA-JTQLQIEISA-N 385.402 -0.549 5 20 GBBD Cn1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 609942610 OLWRQRWLYDACQE-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD O=C(O)[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 615778611 QKELUZGDCFJLIT-NEPJUHHUSA-N 387.370 -0.379 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCNc1ncccc1-c1nn[nH]n1 738374432 OILMDQJLFQDDOZ-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 832850191 JOMAAXAQFIQTGM-SECBINFHSA-N 387.370 -0.134 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 839331469 LDFNKOVBWPRLJP-CYBMUJFWSA-N 389.412 -0.068 5 20 GBBD CC(C)(CCC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)[N+](=O)[O-] 854831251 LILXHHZEEYIFLZ-UHFFFAOYSA-N 384.480 -0.062 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCC(=O)N1CCc2ccccc21 1322197249 HGLMMWYPSOJCCN-UHFFFAOYSA-N 386.368 -0.387 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404022 VKSJTDQWDMIMLF-DOFRTFSJSA-N 375.345 -0.442 5 20 GBBD C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 51424263 NGKOTPHZHPJUPO-OLZOCXBDSA-N 397.457 -0.196 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCCNC1=O 66360421 OCZSSYQEYQSIML-ZDUSSCGKSA-N 399.429 -0.159 5 20 GBBD C[C@@H](CO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272920004 ZZCBQUIIXOGDBU-MDZLAQPJSA-N 387.414 -0.537 5 20 GBBD C[C@H](C[S@](C)=O)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273110165 QBTVXNLJXRPASL-ZZDSUILFSA-N 392.459 -0.061 5 20 GBBD Cn1nccc1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 274207545 UVOJQCLOFNSFIZ-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD COCc1noc(CN2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)n1 275476720 JLLMPLROEPVGFS-UHFFFAOYSA-N 394.392 -0.152 5 20 GBBD COC[C@](C)(CNC(=O)c1cc([N+](=O)[O-])[nH]n1)NC(=O)c1cc([N+](=O)[O-])[nH]n1 285396004 DVHHROMMTSXTEZ-ZDUSSCGKSA-N 396.320 -0.486 5 20 GBBD NC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1 369177585 SJTMTIFBNHTTRL-VHSXEESVSA-N 382.398 -0.026 5 20 GBBD CN[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 420147230 RRKNKZKHEPQPBB-SNVBAGLBSA-N 383.430 -0.335 5 20 GBBD COC(=O)COc1ccc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 518217762 WOMDWAHBEACSNA-OLZOCXBDSA-N 378.385 -0.110 5 20 GBBD NS(=O)(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 535565338 WCCOAXOOWFVENW-NSHDSACASA-N 398.397 -0.400 5 20 GBBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CN(C)NC2=O)ccc1[N+](=O)[O-] 539782054 LESBXPZDIOZVMV-TZMCWYRMSA-N 375.385 -0.031 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])C1 575804604 ANMYFFMJLGBWSL-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)n1 600667188 WFAIBTJMXNRUCU-UHFFFAOYSA-N 394.413 -0.028 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O 609912565 MBODMEWVBATNLX-JDNHERCYSA-N 375.341 -0.476 5 20 GBBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCC[C@@H](C(N)=O)C1 748910947 KCSGVKHNTFBGIJ-WDEREUQCSA-N 380.357 -0.588 5 20 GBBD O=C1COC[C@]2(CNc3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])COCCN12 1582777275 OFTMBVQBERBVBU-AWEZNQCLSA-N 376.333 -0.790 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1591120314 BVBPRUORVBHZHS-UHFFFAOYSA-N 386.372 -0.149 5 20 GBBD CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801659048 IRFGARYLNWKJIX-CLLJXQQHSA-N 378.389 -0.434 5 20 GBBD O=C([C@H]1CCOC1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825452 CKHZVQURWZXDHZ-ZDUSSCGKSA-N 390.396 -0.004 5 20 GBBD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([N+](=O)[O-])[nH]2)N1 1848128445 BFECFYCDUWLARY-DCAQKATOSA-N 390.356 -0.664 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NC[C@@H]2COc3ccccc3O2)c1=O 42650267 AEBAKIWRKVQFBO-LLVKDONJSA-N 388.336 -0.188 5 20 GBBD O=C(CNC[C@@H]1CCCO1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 269236431 WUEYJDFYAIEVIJ-LBPRGKRZSA-N 386.430 -0.242 5 20 GBBD Cn1cc(S(=O)(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O 269685079 HETSTMANOBPGSW-JSGCOSHPSA-N 398.397 -0.595 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NC(CO)CO)cc1[N+](=O)[O-] 290304867 ADGQEKWJRLXQTM-UHFFFAOYSA-N 390.418 -0.837 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1)N1CCOCC1 299541541 AZMJCJBLRCQVSB-UHFFFAOYSA-N 394.359 -0.123 5 20 GBBD CNC(=O)CN1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 497748641 DOTCQNGUCBFBHL-UHFFFAOYSA-N 391.428 -0.065 5 20 GBBD CC(=O)NCC(=O)NCC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 539924057 KPWAFSSTXMMHMJ-UHFFFAOYSA-N 389.372 -0.682 5 20 GBBD COCCN(C)CCN1C[C@H](NC(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1=O 552360933 YYWJZQUGCPGOFM-GFCCVEGCSA-N 381.389 -0.396 5 20 GBBD C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](C)CO 576602834 FQBCWIWDTDYOQU-CHWSQXEVSA-N 395.416 -0.771 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCCN2CCCC2=O)c([N+](=O)[O-])c1 582366796 NWKBSGDJWNWBLK-UHFFFAOYSA-N 399.429 -0.217 5 20 GBBD C[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-])C(=O)N1CCOCC1 593308873 FDQIHVAKAKGXBM-SECBINFHSA-N 387.370 -0.181 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CCN(C)C)C(=O)C1 593784954 WTFITCQOCPBGBV-CYBMUJFWSA-N 391.428 -0.055 5 20 GBBD Cn1ccnc1COCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 596948968 PYDKDDHBFWQADM-UHFFFAOYSA-N 397.413 -0.060 5 20 GBBD CC(C)NC(=O)CNC(=S)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 727268928 UNABPTODYGERQZ-UHFFFAOYSA-N 375.432 -0.223 5 20 GBBD COCCNC(=O)CN1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 821691248 NWKINGZIEGWKFM-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD COC[C@H](CS(=O)(=O)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)OC 853200600 MNXOLXYRQRSGOB-LLVKDONJSA-N 399.385 -0.104 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 859165251 WKKKXDNWGDIAFU-UHFFFAOYSA-N 398.444 -0.578 5 20 GBBD CS(=O)(=O)N1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1117021298 LTOCKRWCTXBSHL-UHFFFAOYSA-N 384.414 -0.295 5 20 GBBD COC(=O)[C@H]1CC12CCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 1323906853 VXIGTFYVCSROGJ-GFCCVEGCSA-N 379.373 -0.291 5 20 GBBD CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1328220018 ZCQIHEALXOJGHH-CYBMUJFWSA-N 381.389 -0.171 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCO1 1348220974 SRYQDAQDQQUYIM-AWEZNQCLSA-N 379.369 -0.004 5 20 GBBD O=C1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3-c3nn[nH]n3)CCN12 1593393449 JHOACNQCVPCJME-SNVBAGLBSA-N 393.385 -0.230 5 20 GBBD NC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 1810861462 QZBXHTLPHORRQP-NSHDSACASA-N 379.421 -0.551 5 20 GBBD C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838826695 VMSSVYIRUDZAKD-PXAZEXFGSA-N 395.416 -0.412 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NC(=O)NCC(F)(F)F)c1 41744054 ZTGVCXIIARNYEZ-UHFFFAOYSA-N 380.235 -0.069 5 20 GBBD NC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 52392179 LGXKVEIHFIJSPB-NSHDSACASA-N 384.414 -0.073 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1C(=O)CCC1=O 273527703 KEMBFCZUFYXBMN-UHFFFAOYSA-N 385.354 -0.191 5 20 GBBD Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] 275974969 HDKBXYWKANLJGX-CQSZACIVSA-N 380.401 -0.007 5 20 GBBD Cc1cc(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 277031429 IVDVFIYXAWUAPQ-NSHDSACASA-N 382.398 -0.457 5 20 GBBD COC(=O)COCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 287091104 CZIPTEZWUVMGKQ-UHFFFAOYSA-N 375.359 -0.821 5 20 GBBD Cn1cc(S(=O)(=O)NCC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 364663052 SWARYHKRDKJDQK-UHFFFAOYSA-N 395.397 -0.104 5 20 GBBD C[C@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1 544508421 HTHDAJLDIAOPRU-QWRGUYRKSA-N 384.414 -0.096 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 582371726 KJFJSBYSMZQCSH-UONOGXRCSA-N 375.385 -0.976 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H](CO)CCF 593348741 NVIARFQORDNUKQ-SNVBAGLBSA-N 378.382 -0.107 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCCNC(=O)c1ccc(Br)cn1 597925836 SEHQADOTSRGGRA-UHFFFAOYSA-N 398.177 -0.110 5 20 GBBD CNC(=O)C1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 609736596 LYWBBSSMSALBNG-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)CCc1ccc2c(c1)CCO2 778878685 DNZJKFBVZJETNY-UHFFFAOYSA-N 381.370 -0.190 5 20 GBBD CN(CCOCCN)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 863748266 BBOFTULKWPMGSP-UHFFFAOYSA-N 379.417 -0.323 5 20 GBBD CN1CCC(NC(=O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1321569334 ABCFSAXMTVEFQM-UHFFFAOYSA-N 398.441 -0.305 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1340915808 QDOCRTNXICDLPC-GREKMHCPSA-N 386.364 -0.320 5 20 GBBD CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1795460884 SIRCRLGBZKRSHN-DDFAGTSDSA-N 380.357 -0.521 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCS1(=O)=O 147860135 PLENQOANCGKSRV-LLVKDONJSA-N 384.414 -0.135 5 20 GBBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)NCCO)ccc1[N+](=O)[O-] 269484407 BLWWJWCLAHXYJB-CQSZACIVSA-N 378.385 -0.267 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273036775 NZTJRHZYWGTZBY-ZDUSSCGKSA-N 385.398 -0.268 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN2CCOCC2)c([N+](=O)[O-])c1 443244440 OXEVUVAYIRAXSA-OAHLLOKOSA-N 389.430 -0.035 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 443780273 RXOCNKKRQIZKCA-UHFFFAOYSA-N 392.459 -0.669 5 20 GBBD O=C(c1cn(CCO)c(=O)nc1O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 470898310 RFIILEGSFGJNOX-UHFFFAOYSA-N 376.325 -0.247 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCC(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-] 597572311 PFKDWJANJPZJTD-UHFFFAOYSA-N 390.356 -0.178 5 20 GBBD CN(CCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)S(C)(=O)=O 597859267 SMQPPSBBFWLCBU-UHFFFAOYSA-N 394.431 -0.747 5 20 GBBD NS(=O)(=O)c1cc(N2CCN(S(=O)(=O)C3CC3)CC2)cc([N+](=O)[O-])c1 599129307 PVLZKKOBLSDDTO-UHFFFAOYSA-N 390.443 -0.144 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813949042 OWSFIOHBHWKYMA-UHFFFAOYSA-N 386.386 -0.258 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H](CN)C1 817989394 KBGKTOCIVKZZGV-INIZCTEOSA-N 390.444 -0.655 5 20 GBBD NC(=O)CN1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 857709703 DRCHDMXECRTQCI-UHFFFAOYSA-N 378.389 -0.264 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1345843896 AVNMYTKUCNXTBX-OCCSQVGLSA-N 379.369 -0.364 5 20 GBBD O=c1c(-c2nn[nH]n2)cn(CCO)c(=O)n1Cc1ccc([N+](=O)[O-])cc1F 1593494585 KYKQJSFWTGGFAL-UHFFFAOYSA-N 377.292 -0.722 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1779378827 ROIZPCQTZFFWLZ-CLIRUNRCSA-N 379.373 -0.468 5 20 GBBD O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)C1 1785404858 IBCDZNKZXHGRDT-INIZCTEOSA-N 377.357 -0.260 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2)c1nc[nH]c1[N+](=O)[O-] 1796403309 GUXGNGZRWLYAID-GJWIWDBRSA-N 379.373 -0.708 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CN)C3)n1 1797211531 XOYDHBWRHRUBHH-USZNOCQGSA-N 392.416 -0.464 5 20 GBBD Cn1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O 67450578 XYXYUXWUZVRBIU-UHFFFAOYSA-N 397.413 -0.940 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 272468850 DKSCNKIZJYGKOB-KGLIPLIRSA-N 385.398 -0.472 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC(=O)NS(C)(=O)=O 277802749 XVHLGMBMAUBBSF-SECBINFHSA-N 386.386 -0.705 5 20 GBBD COC(=O)[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@@H](C)O1 282599796 XXVTWZDOIORCEE-BXKDBHETSA-N 391.336 -0.020 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@](O)(c2c[nH]nn2)C1 285604065 CCJAVFRZTOBENK-CQSZACIVSA-N 396.385 -0.889 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNS(=O)(=O)N(C)C 289044733 XSGNMFMLEONKDW-UHFFFAOYSA-N 382.420 -0.722 5 20 GBBD CC(C)N1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 294651332 UQYCNQQIVVKYJE-NSHDSACASA-N 384.414 -0.001 5 20 GBBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1 503795240 CKOARNTZOLLYKP-ZDUSSCGKSA-N 378.428 -0.130 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCCS(=O)(=O)C1 511376010 FOVYVEXOAMMVDC-SECBINFHSA-N 381.366 -0.116 5 20 GBBD CNc1nccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 557615116 RVNYWOXITCLPSA-GFCCVEGCSA-N 392.416 -0.306 5 20 GBBD C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)N1CCOCC1 574576906 TXBFMAKMRWCZGD-SECBINFHSA-N 387.370 -0.181 5 20 GBBD COC(=O)c1nc(N2C[C@H](C)[C@H](O)C2)nc(N2C[C@@H](O)[C@H](C)C2)c1[N+](=O)[O-] 596178388 JBXGORRBKCJVTI-LMLFDSFASA-N 381.389 -0.195 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(N)=O 600020857 JDBXJHKDAGIBOX-ZDUSSCGKSA-N 393.400 -0.002 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NCc1cccc(-c2nn[nH]n2)c1 826366535 MRDDSQBRVJPIHQ-UHFFFAOYSA-N 386.328 -0.018 5 20 GBBD NC[C@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CCO1 842767459 ULEXXSRZHLAEQM-JTQLQIEISA-N 386.386 -0.100 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1346240056 NMWWJBGKFVWAKK-CQSZACIVSA-N 398.441 -0.206 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)C1CC(O)C1 1792893002 XDMFYZVMLUXGDJ-BRMJWIMXSA-N 378.385 -0.103 5 20 GBBD CN[C@H](CC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)C(=O)O 1842951759 CWHDKRSCYBWAPI-LLVKDONJSA-N 379.373 -0.197 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cn1C 122614535 QGILULWHHXIVEL-UHFFFAOYSA-N 383.434 -0.160 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 264648630 HYKBBBFMCNBYTL-GFCCVEGCSA-N 389.434 -0.296 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCn2cnnc2C1 264753688 KMGLTFKIKUKQSX-UHFFFAOYSA-N 395.401 -0.310 5 20 GBBD CN1CC[C@H](N(C)C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 265680513 LQZIVAHMMPWXDN-LBPRGKRZSA-N 399.429 -0.267 5 20 GBBD CC(C)OCCS(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 267033744 UIDCVAHRDUTTOR-UHFFFAOYSA-N 389.434 -0.310 5 20 GBBD C[C@H]1OCC[C@@H]1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 276016151 JUXKJBMKJUEPKG-MFKMUULPSA-N 393.443 -0.030 5 20 GBBD C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H]1CO 297777018 LBTFHJCNMNAEPM-OCCSQVGLSA-N 377.401 -0.132 5 20 GBBD NS(=O)(=O)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 298737829 WBFGWKCNZQJTJE-UHFFFAOYSA-N 394.431 -0.684 5 20 GBBD COCC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC 428504161 PEWZOPQOTAHNHC-SNVBAGLBSA-N 389.386 -0.433 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 457852539 YDCZDSMTKKSQSZ-UHFFFAOYSA-N 388.450 -0.087 5 20 GBBD CCn1ncnc1CN=c1[nH]c(C)c([N+](=O)[O-])c(=NCc2ncnn2CC)[nH]1 480843039 GBTQDEMNHCNQDJ-UHFFFAOYSA-N 387.408 -0.016 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCNS(=O)(=O)c1ccccc1 499274407 OCSMNNIOHYGUGJ-UHFFFAOYSA-N 380.382 -0.149 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] 507908704 NCNKQWXXSAXYCR-SECBINFHSA-N 380.400 -0.305 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 521118646 GVFUMOHWJUWETH-UHFFFAOYSA-N 380.386 -0.258 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 546052264 PKPNHQSKFXRTJP-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCCNC1=O 577214238 NGFDCLFVDVEQML-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 578446944 LPSNWINGXYTMNE-GFCCVEGCSA-N 398.445 -0.145 5 20 GBBD CCc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 579348791 GZEGAUNFMILBON-NSHDSACASA-N 382.398 -0.512 5 20 GBBD O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)NC(=O)N1 596796259 DYMTVTBVEOKVKE-QMMMGPOBSA-N 381.370 -0.461 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 598030387 UWWPNEGODVBHAI-ZWNOBZJWSA-N 399.381 -0.752 5 20 GBBD O=C(NC[C@H]1COCCN1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 599899969 QYIIRWMSUXNLAX-JTQLQIEISA-N 380.357 -0.201 5 20 GBBD O=C1CC[C@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 765958276 KAUSNLFCYLICOA-LBPRGKRZSA-N 382.398 -0.294 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 821592609 MTBJKPRDJAFNNL-SNVBAGLBSA-N 395.401 -0.486 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 1117565099 RKXNBZVPIOTOIR-GFCCVEGCSA-N 381.389 -0.296 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 1321768363 YAXFIKFCRZREGZ-ZWNOBZJWSA-N 384.414 -0.078 5 20 GBBD NC(=O)C[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1344988454 CHADOLIZUDXHRJ-LLVKDONJSA-N 376.369 -0.092 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1601383960 DHWHOJFAZWJJAE-INIZCTEOSA-N 380.357 -0.856 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783480950 FBZHVPIKNLDAMB-LRDDRELGSA-N 379.373 -0.060 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 1820298260 LJUKHTMYKYPNEV-RQJHMYQMSA-N 394.417 -0.714 5 20 GBBD CCS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265249262 JLKMWNLWHXBPAO-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1nccn2cnnc12 269398907 YSIDIGCHYCSNDW-JSGCOSHPSA-N 387.404 -0.199 5 20 GBBD O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 274953919 IJNKGNPGBRPLSG-QMMMGPOBSA-N 375.334 -0.055 5 20 GBBD COCCN(CCN(C)C)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 410497463 JJBMLTGVNQTWKV-UHFFFAOYSA-N 396.448 -0.009 5 20 GBBD N[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 423640124 WBVOUZAYULJOBM-LBPRGKRZSA-N 375.385 -0.561 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 469205569 VEPXJVCENXUBFH-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD CC(C)[C@H](C(=O)O)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 478991086 MUCLLHGCJQPHGJ-SMDDNHRTSA-N 380.357 -0.417 5 20 GBBD Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 492753362 ZULDPFYHORZHCR-VIFPVBQESA-N 386.390 -0.121 5 20 GBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CS(=O)(=O)CCO1 509626986 VQPUHAIUSSDQDG-NSHDSACASA-N 386.382 -0.162 5 20 GBBD CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCNC1=O 535480159 MOJCZLNTDINKGV-LLVKDONJSA-N 385.402 -0.609 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 578992272 OEESLTWYFAHOBQ-JTQLQIEISA-N 391.427 -0.238 5 20 GBBD COC(=O)c1nc(N2C[C@H](C)[C@H](O)C2)nc(N2C[C@H](C)[C@@H](O)C2)c1[N+](=O)[O-] 596178391 JBXGORRBKCJVTI-XWLWVQCSSA-N 381.389 -0.195 5 20 GBBD O=C(NCCCn1cncn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 604401251 USCZBAAJOIRDMC-UHFFFAOYSA-N 397.417 -0.146 5 20 GBBD C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 746596795 SHSGITLFTPFKMY-QWRGUYRKSA-N 388.402 -0.241 5 20 GBBD CNC(=O)C(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826050725 BSEKBDGPPGKODA-UHFFFAOYSA-N 383.390 -0.175 5 20 GBBD O=C(COC(=O)[C@@H]1CCS(=O)(=O)N1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 845365667 ANHCKQNGEDJSOG-ZETCQYMHSA-N 387.326 -0.503 5 20 GBBD CC[C@@H](NC)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380508 WWDCIBHSQPSVEN-BZNIZROVSA-N 380.405 -0.241 5 20 GBBD CC[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)NC(=O)Cn1ccc([N+](=O)[O-])n1 264156779 LUMIHFWBNRJGAS-JTQLQIEISA-N 394.348 -0.393 5 20 GBBD C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 264194875 SJAYNPWHZOWVSP-NSHDSACASA-N 385.398 -0.265 5 20 GBBD CN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1=O 265844471 XTXGBABMKPLZBP-NSHDSACASA-N 399.429 -0.207 5 20 GBBD COC(=O)c1cn([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 368848111 UDOHDYZARVCMSI-WCQYABFASA-N 379.377 -0.133 5 20 GBBD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])n1 467972735 FDCHDTKWPXYUKO-UHFFFAOYSA-N 388.384 0.177 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 473517557 BEBLPXXQOYCXRU-JTQLQIEISA-N 393.443 -0.330 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 513127215 FDFWTYFXGOEDEY-UHFFFAOYSA-N 382.402 -0.094 5 20 GBBD CC(C)NS(=O)(=O)NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 517359728 NXULDOSHHBQFGL-CYBMUJFWSA-N 376.435 -0.244 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCCN1CC2 542738115 MFTWIRLYCOODIS-OAHLLOKOSA-N 382.442 -0.125 5 20 GBBD NC(=O)c1ccc(SCC(=O)NCC(=O)N2CCNCC2)c([N+](=O)[O-])c1 566615264 VRMCGGNPNXRLGF-UHFFFAOYSA-N 381.414 -0.666 5 20 GBBD NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 579599922 DMXXPHHWKHWBHV-VIFPVBQESA-N 375.384 -0.116 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] 582746513 UDOXSCGEWRPPRD-UHFFFAOYSA-N 384.414 -0.377 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 598028548 OKLVERLFBYTWHL-DCAQKATOSA-N 389.434 -0.245 5 20 GBBD COC(=O)C[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 600460675 XFHDEEHJUBXHAQ-SECBINFHSA-N 396.385 -0.077 5 20 GBBD CC(C)(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(N)=O 824130188 IROXOCSBIJPMKZ-SNVBAGLBSA-N 383.390 -0.047 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)COCC2CC2)c1-c1nn[nH]n1 826500172 NNBRIKIRSCEVGB-SNVBAGLBSA-N 398.401 -0.159 5 20 GBBD CCN(C(=O)COC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 848787280 PKGGMJHUKMITPT-VIFPVBQESA-N 386.386 -0.236 5 20 GBBD CS(=O)(=O)NCCN=c1c(I)c[nH]cc1[N+](=O)[O-] 1336398626 DDDLIQJSOHGLFN-UHFFFAOYSA-N 386.171 -0.023 5 20 GBBD C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OCCC[N+](=O)[O-] 1603676687 LQPCTEPMIYWGTR-SECBINFHSA-N 384.374 -0.257 5 20 GBBD CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783359997 SHEUDYQDVHCUAY-GVXVVHGQSA-N 394.384 -0.131 5 20 GBBD C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840020288 QBFCCIVQXIKINJ-MEDUHNTESA-N 383.357 -0.361 5 20 GBBD CCS(=O)(=O)NCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 263997224 MEKXGUGVNKZJOS-UHFFFAOYSA-N 395.415 -0.416 5 20 GBBD CC(C)N1C(=O)C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 268043980 YZWKSIMYYAMMAI-SNVBAGLBSA-N 388.336 -0.157 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 271439220 XHYLBFPVMNZVKL-LLVKDONJSA-N 378.432 -0.240 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 298163800 QHIGGHRECGXPMN-UHFFFAOYSA-N 399.429 -0.113 5 20 GBBD CS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)NCCN)C2)cc([N+](=O)[O-])c1 429014668 YUVAJIGMIWIRHZ-NSHDSACASA-N 398.441 -0.075 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cn(CC(=O)O)nn1 439715386 FAPTVMBQTAHDOJ-VIFPVBQESA-N 376.329 -0.294 5 20 GBBD CC(C)NS(=O)(=O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 520906062 DBZHBROBWHTMAF-UHFFFAOYSA-N 398.397 -0.365 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CCN2C1=O 573579118 OTELUNSSURGFDG-JSGCOSHPSA-N 389.412 -0.185 5 20 GBBD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594780135 GENQWEFZLFUYMB-ZJUUUORDSA-N 378.432 -0.014 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 598026964 HWEWCPSCCKRZIK-TZMCWYRMSA-N 399.425 -0.027 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(c2ccc3nncn3n2)C1 599007936 SIZMSKCWTAMZCI-NSHDSACASA-N 386.376 -0.193 5 20 GBBD C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 610212393 UQFQYOAIWGDBPJ-LLVKDONJSA-N 383.430 -0.037 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 732074838 VTUMLZJRBKQCBI-GFCCVEGCSA-N 392.368 -0.361 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 839582566 LCYROYPOJUXVQQ-UHFFFAOYSA-N 381.320 -0.863 5 20 GBBD CS(=O)(=O)N1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1322912970 YMADNKXMSFABAB-UHFFFAOYSA-N 398.441 -0.253 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)=O)n1 1795061666 VYYPJIQDFMSCJA-GNXNZQSNSA-N 392.368 -0.209 5 20 GBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)O)ncc1[N+](=O)[O-] 1800748955 BRWZSPUPWMLCFH-MCYUEQNJSA-N 378.385 -0.118 5 20 GBBD C/C(=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C(=O)O 1802015608 SLSHXDABCSVVES-FYPKTMPCSA-N 393.356 -0.448 5 20 GBBD O=C(NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1)c1ccc([N+](=O)[O-])o1 1833002387 XLWJOVZMHKNUGH-UHFFFAOYSA-N 396.400 -0.316 5 20 GBBD C[C@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)N(C)C 264897447 KYQYUTNLVPEAMR-VIFPVBQESA-N 387.418 -0.363 5 20 GBBD CN(CC(=O)NC[C@@H](O)c1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 266526016 IMMYJXNVIBNQEC-CQSZACIVSA-N 397.413 -0.201 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 271820139 ZWJQNBHGHGVFSI-SECBINFHSA-N 396.422 -0.072 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 273907546 AJFVKRWWLDADTA-GFCCVEGCSA-N 392.411 -0.136 5 20 GBBD COCCNC(=O)CN1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 282210264 NYEUHCZDCNNQMV-UHFFFAOYSA-N 393.444 -0.062 5 20 GBBD O=C1C[C@@H](N(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C2CC2)C(=O)N1 368288263 FWPZUGWIENCKNX-LLVKDONJSA-N 386.320 -0.403 5 20 GBBD O=C([C@H]1COCCN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 429735347 DQHLOWKMBBUSAJ-CQSZACIVSA-N 384.414 -0.584 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 472128611 RNLJTXASHFIDDY-GFCCVEGCSA-N 384.414 -0.048 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CS(=O)(=O)CCO1 509621562 XSCNPGCNVFFNBO-LLVKDONJSA-N 399.381 -0.750 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)C1 565429022 SCDYBPLVCGERFO-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)C1 574753352 RODAMSNXBRJEJR-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD CCOC(=O)CNC(=O)C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 583762183 MRYFMEGVEZNEIV-UHFFFAOYSA-N 379.373 0.104 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)COCCN)CC1 592477894 LTWSYWILAOMBAV-UHFFFAOYSA-N 386.430 -0.289 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 592917092 QCJRRVWIHQYOAA-CMPLNLGQSA-N 393.352 -0.297 5 20 GBBD COC(=O)CCNC(=O)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 599170667 YMAKCNCYAGSWRO-UHFFFAOYSA-N 382.377 -0.297 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609599409 ZWGYNGKQPMHTHO-UHFFFAOYSA-N 377.361 -0.627 5 20 GBBD CS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 749574731 ZBUULVIIEVQDHQ-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD CNS(=O)(=O)c1ccc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cn1 770458019 HIRBYQCCDLLXAA-UHFFFAOYSA-N 382.354 -0.083 5 20 GBBD NC(=O)COCCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810400309 FLNAVYUPSOHHST-UHFFFAOYSA-N 389.162 -0.086 5 20 GBBD COC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 821684509 BNZCFFJJUKGKBA-SECBINFHSA-N 384.374 -0.189 5 20 GBBD CN(CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)S(C)(=O)=O 914923162 AVGDVNJGDHWGIV-UHFFFAOYSA-N 389.342 -0.303 5 20 GBBD Cc1c(CNC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] 1117520507 GKVXEXWVONLQRU-GFCCVEGCSA-N 398.441 -0.083 5 20 GBBD Cn1c(CCO)nnc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1345691940 NQRDAHDTNNKNHF-UHFFFAOYSA-N 396.429 -0.231 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1591037435 FOVUSBHQOKRHNM-SECBINFHSA-N 395.401 -0.486 5 20 GBBD COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795353784 GQHPTTWFBHBFNP-PTEHBNRSSA-N 397.388 -0.816 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404119 FJDKYVLTTKCTIX-FVCCEPFGSA-N 393.400 -0.052 5 20 GBBD C=CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389618 MWMWDPAPCXGJKI-JTQLQIEISA-N 376.373 -0.174 5 20 GBBD CNC(=O)CCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 297746564 FRXZBCVDMZHTNF-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD NS(=O)(=O)N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 298073969 QPMICLXHPDPPDD-UHFFFAOYSA-N 387.374 -0.917 5 20 GBBD COC(=O)c1cn([C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)nn1 371851335 FGKOSQPJVJWAMB-SNVBAGLBSA-N 378.349 -0.174 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)NC3CC3)CC2)c1 475541432 FGWVEDYVDPAOMZ-UHFFFAOYSA-N 390.443 -0.102 5 20 GBBD C[C@H](CS(C)(=O)=O)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 500549517 CBVACACIBHFNIW-SNVBAGLBSA-N 393.443 -0.188 5 20 GBBD COc1cc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)ccc1[N+](=O)[O-] 507909028 PDAUPTZZTIOJHF-SECBINFHSA-N 380.400 -0.305 5 20 GBBD NS(=O)(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 535565337 WCCOAXOOWFVENW-LLVKDONJSA-N 398.397 -0.400 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 558387922 YYCQZQYMRCXTRF-UHFFFAOYSA-N 399.429 -0.631 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 572900581 KAOPCDUJUSRCNB-VXGBXAGGSA-N 375.385 -0.079 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 592929423 OFWLFFIOAMUQEM-ZJUUUORDSA-N 386.382 -0.006 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(N2CC[C@@H](O)C2)C1 593390258 DCMPWKONHXLLHS-CQSZACIVSA-N 398.441 -0.171 5 20 GBBD CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 595278477 UFCLNGGGMLXVRI-KKUMJFAQSA-N 389.412 -0.068 5 20 GBBD Cc1cc(C(=O)OCCn2cc([N+](=O)[O-])cn2)nc2c1c(=O)n(C)c(=O)n2C 748129027 CZCDKLZBVVASRW-UHFFFAOYSA-N 388.340 -0.098 5 20 GBBD C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1322821819 DVGAVOUFZRQLFU-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ccnnc1 1794671337 KCJBISLOAICLDL-PTEHBNRSSA-N 387.356 -0.375 5 20 GBBD CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1845759191 GADDXHXVOZKPQT-UHFFFAOYSA-N 395.445 -0.381 5 20 GBBD CC(C)Cn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(=O)n(C)c1=O 15576252 RONXXZGSZAYXAW-UHFFFAOYSA-N 377.357 -0.262 5 20 GBBD COC(=O)[C@]1(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 268027848 DCSABWFDPNPNQW-AWEZNQCLSA-N 388.354 -0.024 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)Nn3cn[nH]c3=O)cc2[N+](=O)[O-])CC1 272052442 FDTWGNURFVFAHE-UHFFFAOYSA-N 375.345 -0.468 5 20 GBBD NS(=O)(=O)N1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 272482564 OOFOSWZRHFZGFC-UHFFFAOYSA-N 378.432 -0.712 5 20 GBBD NC[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 420024544 AOBGOJPOOQOQOL-HNNXBMFYSA-N 389.412 -0.267 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(O)CCOCC1 421995371 UKZCBNCSGPUDLX-UHFFFAOYSA-N 387.414 -0.127 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 426887375 VMRBAALYNUKSPI-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](CO)O1 459845267 IJBLPAHOYLTQHA-UONOGXRCSA-N 392.412 -0.148 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 478059082 NAYBPQFOGILOGT-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1c1cccc([N+](=O)[O-])c1S(N)(=O)=O 530691058 GWQGMRYSOBTLAS-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD NC(=O)c1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 580673394 WXYFZOCOOTXGEJ-ZFWWWQNUSA-N 398.441 -0.719 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC12COC2 597731728 WTRDARRZJMAIOX-AAEUAGOBSA-N 397.409 -0.280 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O 598668008 KGLVPIDBQNNCAO-CHWSQXEVSA-N 376.373 -0.513 5 20 GBBD CCc1nncn1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825771799 SCCGPFZNQVCXIG-UHFFFAOYSA-N 393.389 -0.093 5 20 GBBD COC(=O)[C@](C)(NS(=O)(=O)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 859369881 LHXHCNOMVRHJKV-CYBMUJFWSA-N 394.427 -0.053 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 1326214136 NGBYMTXCOQYDTM-STQMWFEESA-N 379.369 -0.064 5 20 GBBD C[S@](=O)c1ccc(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 1346967273 OPHUQGPRWAGNAS-SANMLTNESA-N 379.398 -0.039 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CC(O)(c3cnn[nH]3)C2)cc1[N+](=O)[O-] 1576922301 VZIYUCSWOJOTJO-UHFFFAOYSA-N 383.342 -0.608 5 20 GBBD CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)COC1 1792618477 FWHMVZHOPWXSEQ-JGPRNRPPSA-N 379.373 -0.442 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(O)O)n1 1792899291 LQSNBFMRDPWZHO-ILWJIGKKSA-N 380.357 -0.439 5 20 GBBD CO/C=C(\C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794004365 RXOAVVVUSCTJKQ-XMQLCBBWSA-N 393.400 -0.069 5 20 GBBD COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412022 DVYNQPHYKWHZHW-LLVKDONJSA-N 394.388 -0.714 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCO[C@@H](c2nn[nH]n2)C1 370851091 AGASINFVBNREFV-SNVBAGLBSA-N 387.312 -0.696 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1N 423366269 CJPVSAKGUDNTSJ-SWLSCSKDSA-N 389.412 -0.315 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H](C)CN1 423650022 KGPSZTHYRLWFJO-QWHCGFSZSA-N 376.417 -0.153 5 20 GBBD O=C(NCCC(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1)c1ccc([N+](=O)[O-])cc1 424241978 LTNNWFSHVTYTQU-GFCCVEGCSA-N 399.381 -0.575 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(=O)N1CCNCC1 428191296 JSAIITYWHDTSLP-GFCCVEGCSA-N 377.401 -0.397 5 20 GBBD COCCN(CC(=O)O)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 485360848 MIHRHFGEOKINAY-UHFFFAOYSA-N 389.386 -0.177 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CO)[C@@H](O)C1 545281103 JAEDKSZPIFNKFN-FZMZJTMJSA-N 387.414 -0.535 5 20 GBBD CN(C)C[C@H](CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 589102021 UHWPJUGPMBAUBW-GFCCVEGCSA-N 388.446 -0.050 5 20 GBBD CCOC(=O)C[C@@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 590384976 IQAMNXNSLRPPNP-JTQLQIEISA-N 381.341 -0.250 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 598029239 QUNKNPIGFTYKTO-RYUDHWBXSA-N 397.365 -0.881 5 20 GBBD O=C(CNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)NCCN1CCOCC1 739297131 MIFWPKBUKFDDNE-UHFFFAOYSA-N 380.357 -0.529 5 20 GBBD O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 1116161262 LKWCBLYJSWXOIM-LBPRGKRZSA-N 382.398 -0.077 5 20 GBBD Cc1cc(N2CCN3CCOC[C@]3(CO)C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] 1592007266 LIIRFHWRVPAGQH-MRXNPFEDSA-N 375.389 -0.033 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CN(Cc3cccc(-c4nn[nH]n4)c3)C2)C1 1593313864 YTARNDBEJKIVGK-HUUCEWRRSA-N 399.411 -0.055 5 20 GBBD Cn1nncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1794517341 IRMWSQQZMAOLTA-ZSBIGDGJSA-N 388.388 -0.128 5 20 GBBD CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012328 RSUFZYHOVVEIBX-GNXNZQSNSA-N 394.388 -0.953 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@H]1C[C@@H]1F 1800373200 HQMWCQMBCVEYIB-BOWTYGHESA-N 381.364 -0.261 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 273698335 CIDKUBJHNMOCTK-JTQLQIEISA-N 378.432 -0.211 5 20 GBBD O=C(O)[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 275015528 QSDDLNSTSSYDEH-MRVPVSSYSA-N 375.334 -0.055 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 299381422 WAILAECQESLTJI-UHFFFAOYSA-N 378.385 -0.083 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 486022617 FTMWBOLLOJCEIV-JDNHERCYSA-N 380.357 -0.687 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H](O)C(F)F 489399896 JGWHSGLHDNWACK-JTQLQIEISA-N 382.345 -0.202 5 20 GBBD Cn1cc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(=O)n(C)c1=O 525351931 QQVBGQRYADAEFQ-UHFFFAOYSA-N 387.308 -0.773 5 20 GBBD O=C1NC2(CCCC2)C(=O)N1CCCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 584346127 TXOJKONOKPKHSO-CYBMUJFWSA-N 380.405 -0.004 5 20 GBBD NS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 597263039 BMGLLPOTYWZDFK-RYUDHWBXSA-N 398.445 -0.082 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 1326214134 NGBYMTXCOQYDTM-QWHCGFSZSA-N 379.369 -0.064 5 20 GBBD NS(=O)(=O)CCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1592746912 VEIRUUCMOHZSPN-UHFFFAOYSA-N 396.433 -0.819 5 20 GBBD NC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783364068 LLABWGLHXVQYKE-NHCYSSNCSA-N 395.372 -0.551 5 20 GBBD C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786783511 OXSXSKXHTDZJTE-BJDJZHNGSA-N 380.405 -0.494 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN(C)S(C)(=O)=O 41921117 GRRPVYPHUOFTDU-UHFFFAOYSA-N 388.402 -0.060 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 272957721 RHVKJCSYUPKKQA-AWEZNQCLSA-N 392.412 -0.243 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN)CC2)cc1[N+](=O)[O-] 418300406 VYNJEBKTEXEKSB-UHFFFAOYSA-N 387.418 -0.422 5 20 GBBD C[C@H](O)CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 428503767 PXJJRHSWTQCAQP-LBPRGKRZSA-N 378.385 -0.155 5 20 GBBD CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)NCCN1CCOCC1 481884737 XDBPWRDFYYUOPB-DOMZBBRYSA-N 396.448 -0.079 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 489484635 RGPGTXHPUXKTHE-UWVGGRQHSA-N 379.377 -0.410 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 497879213 CHVHVYPASUWBKX-UHFFFAOYSA-N 390.443 -0.360 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 592909010 ILPQWXVEKVEWSZ-JQWIXIFHSA-N 386.382 -0.006 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 592929418 OFWLFFIOAMUQEM-UWVGGRQHSA-N 386.382 -0.006 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc([N+](=O)[O-])cc1O 598904133 IMICOFZPWIBHJL-ONGXEEELSA-N 392.324 -0.392 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F 823229554 XSGFNXKGZFMXIG-UHFFFAOYSA-N 389.307 -0.135 5 20 GBBD C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@@H]1CN(C)CCO1 824641806 ZDNLTRWOMCRIOP-ONGXEEELSA-N 397.417 -0.228 5 20 GBBD O=C(O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 852958770 RYZZHYLROVZCKD-XVKPBYJWSA-N 393.278 -0.086 5 20 GBBD CN1CCN(C2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1 1119627991 AGCHZWVRMXLMFA-UHFFFAOYSA-N 389.412 -0.222 5 20 GBBD Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2COCCN2)c([N+](=O)[O-])c1 1331583633 JDCWKMCSXGERIP-ZDUSSCGKSA-N 379.417 -0.074 5 20 GBBD N=C(N)SCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415988 STVIIEUAKPEXRL-HNNXBMFYSA-N 396.429 -0.007 5 20 GBBD NC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 1818013647 BOQZTYLSINMKMR-WPRPVWTQSA-N 391.392 -0.367 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839770138 FQTKEATZPPIDSU-MMPTUQATSA-N 397.363 -0.254 5 20 GBBD O=C1CCCN1CC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1842830551 GOQKVKABUFXHOE-UHFFFAOYSA-N 376.373 -0.243 5 20 GBBD O=C(C(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 51152265 ARHCJZJVJWCSFZ-UHFFFAOYSA-N 392.412 -0.023 5 20 GBBD O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 264233018 YEEIICZFQLQZJG-ZFWWWQNUSA-N 398.441 -0.379 5 20 GBBD O=C(CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCCC1 331433288 APIQSZRCATYFSN-UHFFFAOYSA-N 391.428 -0.087 5 20 GBBD CCOc1ccc(NC(=O)CN2CCN(CC(N)=O)C(=O)C2)c([N+](=O)[O-])c1 459709117 TUBSZIVLMYREMD-UHFFFAOYSA-N 379.373 -0.439 5 20 GBBD COc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] 471316408 XPMGSXAFIORYEH-KBPBESRZSA-N 399.425 -0.481 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 492872862 LHJDLZPMIQKLKG-UHFFFAOYSA-N 398.397 -0.672 5 20 GBBD CC(=O)N1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 499169045 RHZUTIZRRLMCFW-LBPRGKRZSA-N 384.414 -0.142 5 20 GBBD CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 595187260 CLKLDUCLYOLKBN-CYBMUJFWSA-N 393.400 -0.488 5 20 GBBD Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(N)c([N+](=O)[O-])n3)CC2)cn1 596145371 LHAUWJRQONVNEV-UHFFFAOYSA-N 381.418 0.571 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 600550028 WKSQIXUZDTXMIW-UHFFFAOYSA-N 399.429 -0.501 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(=O)N1CCN(C)CC1 603819914 CCOBPXRQBNESHR-ZDUSSCGKSA-N 391.428 -0.055 5 20 GBBD O=C(CSc1nnnn1C1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750762122 IQYOHPPEVHUQGL-UHFFFAOYSA-N 385.387 -0.092 5 20 GBBD Cn1c(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1[N+](=O)[O-] 761062151 ROUNNHQSRWBCQQ-UHFFFAOYSA-N 376.329 -0.463 5 20 GBBD Cn1[nH]c(COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1=O 765458266 NXXSYUAJCMJVLH-UHFFFAOYSA-N 385.358 -0.572 5 20 GBBD O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cn(C[C@H]2CCOC2)nn1 860876676 RERAGWAJJZGFKR-SECBINFHSA-N 382.358 -0.264 5 20 GBBD C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1260177043 NGJILVKLPDLEEU-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD CN(C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC(O)C1 1325883333 XJRYWCBMUUPJPI-UHFFFAOYSA-N 390.396 -0.139 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1592937893 UYSSBDBOUXAAKH-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN)[C@H]3C2)ncc1[N+](=O)[O-] 1786796204 PJPFNHCXKPJGKD-HUBLWGQQSA-N 377.401 -0.150 5 20 GBBD O=C1NC(=O)[C@H](CC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)N1 1841958058 RJXDGSNRZMKHAZ-VIFPVBQESA-N 391.340 -0.397 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 264200640 QIMDHWZDPMHANV-HUUCEWRRSA-N 399.425 -0.412 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)NCCNc1ccccc1[N+](=O)[O-] 268025783 JGJGMBXJDQXIBC-UHFFFAOYSA-N 380.448 -0.135 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 271336528 MBQQEBAGVXQAEU-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 297881201 UTKPAEKNZZZBPM-UONOGXRCSA-N 394.428 -0.166 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 428577114 XCAGSOFBRKXXBJ-LLVKDONJSA-N 384.414 -0.048 5 20 GBBD COC(=O)[C@@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 485489020 ISIZIILGNIXPPV-AWEZNQCLSA-N 389.386 -0.745 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513459957 KYISWFQUSXLQTC-UHFFFAOYSA-N 385.398 -0.071 5 20 GBBD COC(=O)CCN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 530908901 RSKWGEXBHBRFGE-UHFFFAOYSA-N 387.418 -0.149 5 20 GBBD Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(O)nc1=O 573130046 BZHYQHMENHABAI-UHFFFAOYSA-N 387.352 -0.008 5 20 GBBD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 854879230 BJDYKCWSIPKJNU-VXGBXAGGSA-N 382.373 -0.147 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 855470238 DBIGRQLMOXIBFB-HIFRSBDPSA-N 399.425 -0.027 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[C@H]2C1 1330499831 NLCPJRSKMRWLLS-RYUDHWBXSA-N 396.425 -0.142 5 20 GBBD CNC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1591202964 XUXZYHOXHSLYDV-AWEZNQCLSA-N 395.401 -0.078 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 52392844 VMUBXPDNHVBHML-LLVKDONJSA-N 385.446 -0.254 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 58223215 JVJRXAYNBOWNOU-UHFFFAOYSA-N 385.446 -0.029 5 20 GBBD Cn1cc(N2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CC2=O)cn1 272785961 BGTIDVUJQPJKEJ-UHFFFAOYSA-N 380.386 -0.171 5 20 GBBD O=C1N[C@@]2(CCOC2)C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 277809171 MCBXIQQFDBFXSU-CQSZACIVSA-N 384.370 -0.416 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 291671439 YMROSKUNAQOINV-UHFFFAOYSA-N 379.416 -0.381 5 20 GBBD CN(C)C(=O)CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 422132289 CPPBXJBTPRJMLL-UHFFFAOYSA-N 387.418 -0.397 5 20 GBBD Cn1cc(S(=O)(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=O)n(C)c1=O 487372403 ARRQINKRUBZPBM-UHFFFAOYSA-N 398.401 -0.786 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)n(C)c1=O 536252001 CBAHEKOGAAKOBD-UHFFFAOYSA-N 398.339 -0.143 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CC(=O)N(C)C1=O 573814604 JVJFWYPAEGXCJW-RKDXNWHRSA-N 398.397 -0.087 5 20 GBBD COCCOCCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 576718701 PYSSIVBTRRJZNO-UHFFFAOYSA-N 395.416 -0.240 5 20 GBBD COc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1S(N)(=O)=O 578814168 TWYLJJHKKRDZMQ-UHFFFAOYSA-N 396.381 -0.271 5 20 GBBD COC(=O)c1[nH]c(=NCC2(O)CCC2)[nH]c(=NCC2(O)CCC2)c1[N+](=O)[O-] 596124147 UYIKLFVPGJAIPG-UHFFFAOYSA-N 381.389 -0.331 5 20 GBBD O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(O)(CO)C1 597701814 BRNNBMOEWXTYAA-ZDUSSCGKSA-N 385.398 -0.687 5 20 GBBD Cn1c(=O)ccn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1=O 770772637 OCXRUUSQFLPBSR-UHFFFAOYSA-N 386.317 -0.901 5 20 GBBD C[C@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 788621622 RYSBFHGJUBHUIF-ZWNOBZJWSA-N 398.397 -0.075 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 839332811 PMULJHFKVRNYDZ-CYBMUJFWSA-N 389.412 -0.068 5 20 GBBD CN(CCCNC(=O)C1CCC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1323907332 ZNVAFTNLVAMEBY-UHFFFAOYSA-N 380.405 -0.328 5 20 GBBD COC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1598733329 PMVDEZQQTGAHMG-DMTCVQMQSA-N 379.325 -0.380 5 20 GBBD CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)COC1 1779378825 RIKLHHCRSJMHKU-INIZCTEOSA-N 379.373 -0.202 5 20 GBBD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)C(O)O)C2)c([N+](=O)[O-])c1 1841236148 XEIQNCAMVXUDMK-UHFFFAOYSA-N 379.369 -0.340 5 20 GBBD CN1N=C(C(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)CCC1=O 1843388508 PSECEKANPROHQM-UHFFFAOYSA-N 389.372 -0.257 5 20 GBBD Cc1nc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] 268498372 PLGXHLPXJIQZOG-UHFFFAOYSA-N 384.462 -0.088 5 20 GBBD COCCNC(=O)CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 272920196 INIGDADMMGBBKR-OAHLLOKOSA-N 396.444 -0.285 5 20 GBBD CNS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 275890069 RNJHGCYQRWDFJD-UHFFFAOYSA-N 399.429 -0.389 5 20 GBBD C[C@H]1OCC[C@@]1(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 279348763 CFUJTKUAGAPMLR-IAQYHMDHSA-N 387.414 -0.129 5 20 GBBD CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416458908 RKQHQKDQUQAJGC-CQSZACIVSA-N 390.370 -0.026 5 20 GBBD CNC(=O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 422164190 UZMUKLQYHPMJRX-LLVKDONJSA-N 399.429 -0.349 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)c1 438652094 ADVYORXNHAFBNG-CQSZACIVSA-N 396.429 -0.446 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 443353188 QPJXQDYCEUAAEE-ZDUSSCGKSA-N 389.430 -0.083 5 20 GBBD COc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] 471316411 XPMGSXAFIORYEH-ZIAGYGMSSA-N 399.425 -0.481 5 20 GBBD CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NC)CC2)cc1[N+](=O)[O-] 576869133 VIWHFCPBDLCYRA-UHFFFAOYSA-N 392.459 -0.072 5 20 GBBD COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C 600018653 PGUCDBANFJCLEB-SCZZXKLOSA-N 385.402 -0.089 5 20 GBBD NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)O 614312865 GFQIEUCNLOKGEM-ZCFIWIBFSA-N 396.175 -0.036 5 20 GBBD CCN(C(=O)[C@@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 772059910 RCORDSHIKPCHCM-ZJUUUORDSA-N 388.402 -0.091 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 786802175 VUKYKBPCEBWTQD-LBPRGKRZSA-N 379.417 -0.086 5 20 GBBD CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)Cn1cc([N+](=O)[O-])cn1 825929882 NMORNLKQDUPDOK-UHFFFAOYSA-N 375.353 -0.632 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 860590114 QQMBMPDEUULACW-GCDPNZCJSA-N 383.338 -0.485 5 20 GBBD O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(CCO)CCOCCO 862248213 SQPBLCKQGMLKCG-UHFFFAOYSA-N 383.401 -0.125 5 20 GBBD C[C@H]1CN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1603938296 WQGHOLLBRWDGIP-JTQLQIEISA-N 397.417 -0.226 5 20 GBBD O=C(c1cnccn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382895 HMDHMILZJQUSGW-INIZCTEOSA-N 387.356 -0.135 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 1799477759 ATERYBBREIQARE-WRWGMCAJSA-N 392.416 -0.233 5 20 GBBD O=C(/C=C\C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1)NC1CC1 1844411852 MMSZZVCIVBYMKY-PLNGDYQASA-N 388.384 -0.030 5 20 GBBD Cn1c(=O)c2c(ncn2CCOC(=O)c2cc([N+](=O)[O-])ccc2N)n(C)c1=O 21761165 IIGOEJVKDKWEIT-UHFFFAOYSA-N 388.340 -0.219 5 20 GBBD COCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 263683337 JPFFBPJIPREZGE-UHFFFAOYSA-N 393.443 -0.123 5 20 GBBD CN1CCN(CCNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 265613045 FTKSNKRYWVSWSZ-UHFFFAOYSA-N 399.473 -0.421 5 20 GBBD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cnc(O)c([N+](=O)[O-])c1 277642871 CZKYPZZDUYMJTM-NSHDSACASA-N 388.402 -0.086 5 20 GBBD COc1ccc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] 278867776 YJDKSRVSTHQTNS-CQSZACIVSA-N 384.370 -0.034 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O 425081366 GECDLELPNCXMPU-GFCCVEGCSA-N 377.357 -0.342 5 20 GBBD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 520543474 GGTWWVWYJNJCAV-UHFFFAOYSA-N 396.385 -0.546 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 524001597 ZTPAIEKATRMXKM-ZDUSSCGKSA-N 392.368 -0.316 5 20 GBBD O=C(NC[C@@H]1COCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 576844007 LKGTXGLTJLBAMY-CYBMUJFWSA-N 379.373 -0.830 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)n1 599208517 HZQZGRPNSIAQNC-UHFFFAOYSA-N 387.399 -0.273 5 20 GBBD NC(=O)C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 599499307 ZOXWLSWAQLABHS-SECBINFHSA-N 387.370 -0.369 5 20 GBBD O=C(O)[C@@H]1CC(=O)N(CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 776636326 PYRIYBOHLAOGSO-GFCCVEGCSA-N 385.398 -0.010 5 20 GBBD CO[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3C[C@@H](O)[C@H](OC)C3)c2[N+](=O)[O-])C[C@H]1O 829139522 DVORBKFFSXIJJB-AAVRWANBSA-N 398.372 -0.105 5 20 GBBD C[C@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)n1cccn1 847894391 KINLUDLOXISSLH-SNVBAGLBSA-N 396.385 -0.289 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])nn1 1777131205 UPHHRPJRVYMLKB-UHFFFAOYSA-N 399.341 -0.350 5 20 GBBD NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1787422495 QNDLQPSPIJEZPU-ZPFDUUQYSA-N 381.389 -0.933 5 20 GBBD COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] 26814023 DAMUAZWMTJKNST-UHFFFAOYSA-N 384.370 -0.034 5 20 GBBD O=C([C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262618211 HHMBDNPXNNCRAL-ZDUSSCGKSA-N 384.414 -0.584 5 20 GBBD COC(=O)c1cn(CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nn1 286859402 NJGORYJRBWAHHO-UHFFFAOYSA-N 397.369 -0.194 5 20 GBBD Cc1c(C(=O)NCCNS(=O)(=O)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 296971527 DQDIZXMVTZTRQD-UHFFFAOYSA-N 375.363 -0.063 5 20 GBBD NS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 451532526 UNGITLNKINQVFA-UHFFFAOYSA-N 387.823 -0.168 5 20 GBBD CCN1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 455407078 LYZKZTDGNPJGHO-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD NS(=O)(=O)c1cnn(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 538426015 STBVXVJEUFCTQH-JTQLQIEISA-N 395.401 -0.453 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 567035541 IUPMKSATTASNGS-UHFFFAOYSA-N 387.356 -0.130 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 584433723 NMMGSNBUZBVEBB-JSGCOSHPSA-N 387.462 -0.054 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCOC(=O)N1 862016122 DAAYDHWFYVSHNL-LBPRGKRZSA-N 386.386 -0.170 5 20 GBBD CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590677528 KOTWIEIKMUQUMF-QMMMGPOBSA-N 383.390 -0.080 5 20 GBBD O=[N+]([O-])c1cnc(N2CCOC3(CCS(=O)(=O)CC3)C2)c(-c2nn[nH]n2)c1 1607085940 CHZWWYJOPUBSPQ-UHFFFAOYSA-N 395.401 -0.046 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1834914769 GKQFISWWKLUDAQ-CQSZACIVSA-N 389.315 -0.347 5 20 GBBD CN(C[C@H](O)CO)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 271270234 LRLKHRAFLBQTCA-NSHDSACASA-N 375.403 -0.595 5 20 GBBD COC[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 363616571 FOGXRZUQHBKZGY-GVXVVHGQSA-N 387.414 -0.130 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424435800 GLIURWDQMWYSTC-LLVKDONJSA-N 385.354 -0.448 5 20 GBBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)NC[C@H]1CCS(=O)(=O)C1 436959876 FEZWZPKOZBCDHU-NXEZZACHSA-N 385.398 -0.030 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCN(S(=O)(=O)C2CC2)CC1 440898922 ZRNOVQYFHMVMIA-UHFFFAOYSA-N 384.414 -0.171 5 20 GBBD CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cn2)c([N+](=O)[O-])n1 462379176 VTYHODUZZNDIAO-UHFFFAOYSA-N 390.403 -0.085 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 463380729 XGWSLMAUEZXLHO-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD CN1CCN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O 570716795 NDYNYSSQZWIRRH-UHFFFAOYSA-N 389.412 -0.347 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 581022952 PIPBEMXIBUPRPN-LDYMZIIASA-N 388.377 -0.325 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594771140 BJUXUTRNQAYWHO-UHFFFAOYSA-N 379.420 -0.803 5 20 GBBD O=C(c1cnn(C[C@@H](O)CO)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 597264012 JJIQKDSVTKBNJX-TZMCWYRMSA-N 376.373 -0.134 5 20 GBBD CN(CC(=O)NCCCC1=NNC(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 597664170 GZBRRZMJKLIFPJ-UHFFFAOYSA-N 397.413 -0.012 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 597735632 HRROJOQESNMELZ-ZDUSSCGKSA-N 399.429 -0.501 5 20 GBBD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 612246893 KLLFYIASHWSCED-UHFFFAOYSA-N 396.385 -0.546 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NCc2ccc(OCC(N)=O)cc2)n1 772059633 UYUQWKQKZQFVSM-UHFFFAOYSA-N 391.340 -0.334 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 824153092 AWOHUXJZCOUNPE-CQSZACIVSA-N 378.385 -0.176 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CCS(=O)(=O)C[C@H]1CCO 1593468063 YOWKWODZCRDGTO-GFCCVEGCSA-N 382.402 -0.244 5 20 GBBD O=C(O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 1608813499 UCJQNAGRKSXOTM-RYUDHWBXSA-N 376.325 -0.257 5 20 GBBD COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CN)CCO3)C2)c([N+](=O)[O-])c1 1781412613 LHWNFIPHSFLEBC-GOSISDBHSA-N 392.412 -0.066 5 20 GBBD O=C1CC[C@H](C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)N1 1841999442 TUPOZQSKHOZHIM-GFCCVEGCSA-N 376.373 -0.727 5 20 GBBD COCCOCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1842774989 CRFPMJHJVPRWMT-UHFFFAOYSA-N 381.389 -0.342 5 20 GBBD COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 273640911 XZVYIKUCFDZXTP-SECBINFHSA-N 389.386 -0.108 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 275799295 FZZNCHPMOUAKCZ-TZMCWYRMSA-N 388.398 -0.394 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 411647864 YZSFPJFITVVRBA-UHFFFAOYSA-N 377.357 -0.748 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cccc1[N+](=O)[O-] 424499168 KKGUMFDXBDIZFK-LBPRGKRZSA-N 399.381 -0.770 5 20 GBBD COC(=O)COc1ccc(CN2CC(=O)NC[C@H]2C(=O)OC)cc1[N+](=O)[O-] 448276666 ASIVAPSKSAZHPQ-LBPRGKRZSA-N 381.341 -0.380 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 476663888 GKHJWWMCPLQMKP-LLVKDONJSA-N 387.418 -0.405 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O 570920296 GETIDSPLTMUGNR-LBPRGKRZSA-N 387.370 -0.133 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 728023653 JRGWJMUACSFMKV-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD C[C@@H](NC(=O)COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)N(C)C 747680210 ALFSETKMBXSVJF-SNVBAGLBSA-N 390.356 -0.075 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 748117274 HBYRNUQKFPHAFI-QWRGUYRKSA-N 386.386 -0.630 5 20 GBBD Cn1cc(S(=O)(=O)NCC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cn1 761380101 CFYOQKOEVMZRHE-UHFFFAOYSA-N 385.358 -0.988 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 770774816 GURCRLRFUBQWNE-JTQLQIEISA-N 395.390 -0.037 5 20 GBBD Cc1nn(CC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1C 847617921 BDUVMEZJLSZDAH-UHFFFAOYSA-N 389.777 -0.043 5 20 GBBD O=C1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C(=O)N1 1321730952 SICZYRZNIJSJIL-UHFFFAOYSA-N 395.397 -0.117 5 20 GBBD C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1321890000 BYJHAKMRYIRWCV-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 1323576266 GFETWJSHBFAKEC-ZDUSSCGKSA-N 392.416 -0.185 5 20 GBBD COCCN1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1=O 1344913623 ZBFRWLQTSQWPPQ-UHFFFAOYSA-N 376.369 -0.246 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 1348240367 SQRUKBVLRBUJMV-UHFFFAOYSA-N 390.396 -0.203 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1593466740 VTUQTWSPPWBGGE-JTQLQIEISA-N 394.417 -0.521 5 20 GBBD O=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]c4[N+](=O)[O-])[C@H]3C2)C1 1787481436 KMPBAJTWRYJVCC-XDTLVQLUSA-N 391.384 -0.110 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1)c1n[nH]cc1[N+](=O)[O-] 1796297369 PDTKGFOWJPTSBH-ILWJIGKKSA-N 375.349 -0.744 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 276419304 ZJQIHHPWLYFUJD-UHFFFAOYSA-N 395.397 -0.104 5 20 GBBD CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)CCCS(=O)(=O)N1CCOC1 349509299 NUQOTNOXIQZUPP-UHFFFAOYSA-N 394.431 -0.235 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@@H]1N 423161783 SHKKVTBMGHAPHE-QWRGUYRKSA-N 395.441 -0.254 5 20 GBBD Cc1cc(S(=O)(=O)N2Cc3nnc(O)n3C[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 424392333 PENMAFVJFCXUNA-SNVBAGLBSA-N 383.342 -0.142 5 20 GBBD COC(=O)[C@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOC1 446487589 CIZDPFIXCGMEJK-INIZCTEOSA-N 379.325 -0.232 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 447922127 OAAJJDDKYXJLJA-LBPRGKRZSA-N 378.341 -0.134 5 20 GBBD CC1(CS(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)COC1 555403296 IOXYKEVCAPLMID-UHFFFAOYSA-N 393.443 -0.171 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1[N+](=O)[O-] 593855666 NCTBFUVYROSMBD-UHFFFAOYSA-N 395.401 -0.682 5 20 GBBD COc1cc(CCNC(=O)C(=O)N[C@H]2CCNC2=O)c([N+](=O)[O-])cc1OC 597167043 GSZRASWATIZRHD-JTQLQIEISA-N 380.357 -0.725 5 20 GBBD CC[C@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)N1CCOCC1 611106794 KZSIYHGUZLMJFL-JTQLQIEISA-N 375.407 -0.273 5 20 GBBD CCOCCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 801441320 YJZCNGPIXYSBRZ-UHFFFAOYSA-N 375.359 -0.448 5 20 GBBD C[C@H](NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 1322925078 BEHJRPRJXVCNLQ-WFASDCNBSA-N 380.401 -0.075 5 20 GBBD O=C(N[C@H]1C[C@@H](C(=O)O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1608491762 DLOSAKDWWLBONF-PHIMTYICSA-N 377.357 -0.382 5 20 GBBD Cc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 267444021 OPHHHYOQQCEIOH-UHFFFAOYSA-N 399.429 -0.726 5 20 GBBD COC(=O)CNC(=O)c1ccc(NCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 271820918 CSOWZXXCLBMUGX-UHFFFAOYSA-N 380.357 -0.232 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 274571680 BAMNUOWIXLEVKB-LLVKDONJSA-N 399.429 -0.644 5 20 GBBD CCN(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 274864054 YDZLNHNYPDZCLL-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCn1cc(CO)nn1)OCCO2 290323389 ZQTWZPKHFCIILN-UHFFFAOYSA-N 399.385 -0.182 5 20 GBBD CN(CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)Cn1cc([N+](=O)[O-])cn1 298760913 KTUSWHBFWNSTAC-UHFFFAOYSA-N 394.348 -0.487 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 327991415 HCRMCSLDOVPQFE-UHFFFAOYSA-N 396.422 -0.153 5 20 GBBD CCN1C(=O)[C@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CCN2C1=O 364871476 SMYGKPWSALPIBM-GFCCVEGCSA-N 383.386 -0.285 5 20 GBBD C[C@H]1CCNC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420107488 AWIVQMASZICHRP-SMDDNHRTSA-N 398.441 -0.401 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 468721920 DRLAMSJCSPHXFV-LLVKDONJSA-N 379.373 -0.137 5 20 GBBD Cn1cc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)nc1=O 512900306 XTJKLOSIBSDCOW-UHFFFAOYSA-N 397.369 -0.898 5 20 GBBD CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1O 563388374 JNHSSMGEHCDPAG-NWDGAFQWSA-N 391.388 -0.029 5 20 GBBD CCCS(=O)(=O)N1CCC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 591726067 GUADQSRPXBHVAS-AWEZNQCLSA-N 375.451 -0.054 5 20 GBBD O=[N+]([O-])c1cccnc1S(=O)(=O)NCCS(=O)(=O)NCC1CCC1 594755198 SOAJIVWRIGQRBM-UHFFFAOYSA-N 378.432 -0.012 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCO[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 599187010 NNOLRFOQSXDZNS-NSHDSACASA-N 380.357 -0.422 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 819797281 YGWUKZPCNLXIHZ-UHFFFAOYSA-N 389.376 -0.337 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 821315085 PVUQUXRJGGZUGQ-UHFFFAOYSA-N 376.333 -0.618 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 917513036 UEPGDMZBZBOERE-UHFFFAOYSA-N 399.371 -0.698 5 20 GBBD CN(C)C(=O)Cn1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1 1321360265 NCAXMNPXIKPZCO-UHFFFAOYSA-N 376.377 -0.052 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1781551267 PNNSYZNJKPUACM-WMLDXEAASA-N 395.391 -0.537 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1794004827 QJLXBDXHQAEHFM-JJLQDPRZSA-N 389.372 -0.582 5 20 GBBD COCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1796403177 BUPQEAZGACCYNS-ZSBIGDGJSA-N 393.400 -0.052 5 20 GBBD CC(C)CN1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 105706116 NRDGEAZFQXGCPE-CYBMUJFWSA-N 395.416 -0.672 5 20 GBBD COc1ccc(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 267444284 GMJLGDAHLTVTLE-NSHDSACASA-N 391.384 -0.425 5 20 GBBD NC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 281078607 CHBFHAAXUAJOLX-UHFFFAOYSA-N 399.429 -0.184 5 20 GBBD O=[N+]([O-])c1ccc2nc(CN3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)[nH]c2c1 444676850 ONHIWFWUKWONEE-LSDHHAIUSA-N 395.441 -0.253 5 20 GBBD CC(C)(C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)n1cc([N+](=O)[O-])cn1 476197112 RRCFXFRFNROFDE-UHFFFAOYSA-N 398.405 -0.822 5 20 GBBD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 597552382 JSEIWKLLSRUILX-ZETOZRRWSA-N 396.425 -0.015 5 20 GBBD CN1C(=O)C(=O)N(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1=O 728194903 DQXDGLIRGYFRIX-UHFFFAOYSA-N 381.370 -0.208 5 20 GBBD C[C@@H]1OC(=O)N[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 817643998 SPYNBFHEEWHWDD-JOYOIKCWSA-N 386.386 -0.172 5 20 GBBD NC[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)=NO1 852802490 KTEGKJWYYQSSRM-LBPRGKRZSA-N 397.413 -0.469 5 20 GBBD COCC(C)(C)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1118117066 QGJVCZJJWTXSDT-UHFFFAOYSA-N 382.421 -0.523 5 20 GBBD CC(C)CC(=O)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1325571438 SFKBLAMPALAVBQ-UHFFFAOYSA-N 380.405 -0.376 5 20 GBBD O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] 1336619462 JWNGSOTYZRZCOJ-LSDHHAIUSA-N 398.441 -0.691 5 20 GBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1590986492 COFKPOSFHZHFHM-DGCLKSJQSA-N 388.388 -0.077 5 20 GBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1604741961 VQMMSUDTIIAUGD-ZYHUDNBSSA-N 376.377 -0.220 5 20 GBBD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1843348302 CGKKUGWWGRPKQE-AWEZNQCLSA-N 379.392 -0.234 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)COCCO)C3)n1 1843586560 PCYTUWMLJVHENX-UHFFFAOYSA-N 394.384 -0.176 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 45410879 HNBHVWYZTWDNLX-CYBMUJFWSA-N 380.357 -0.095 5 20 GBBD CCOCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272977489 KNCPOJNCKFBFEK-AAEUAGOBSA-N 387.414 -0.129 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1C[C@@H](C(=O)O)CC1=O 274953773 IFMARMHKWAQHOB-VIFPVBQESA-N 387.370 -0.185 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@]2(O)CCOC2)CC1 413035317 NXNZLJUNJDKRLH-MRXNPFEDSA-N 399.425 -0.112 5 20 GBBD C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 594359348 DIOMIPODDLAAMV-JTQLQIEISA-N 386.430 -0.206 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)COc1cccc([N+](=O)[O-])c1 619876229 XHIMVKKINDPTPL-AWEZNQCLSA-N 395.368 -0.120 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N 808033781 GLABENSUIQHVJG-CYBMUJFWSA-N 398.347 -0.164 5 20 GBBD O=C1NC(=O)[C@H]2CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]12 831734718 YOFSAHYMQNKSCQ-GASCZTMLSA-N 387.396 -0.552 5 20 GBBD Cc1cc(C(=O)O)c([N+](=O)[O-])c(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 1610437934 YHPGFTRMXCJACI-UHFFFAOYSA-N 377.357 -0.076 5 20 GBBD COC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792570387 JHHKMZRBHNPJLF-JJLQDPRZSA-N 395.416 -0.194 5 20 GBBD CCC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841532143 HRWNTMILNQBQLZ-LBPRGKRZSA-N 392.416 -0.091 5 20 GBBD O=C(/C=C\C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)NC1CC1 1844177545 KKAODRUJCNQSHW-PLNGDYQASA-N 388.384 -0.030 5 20 GBBD Cn1c(SCC(=O)N2CCNC(=O)C2)nc2cc([N+](=O)[O-])ccc2c1=O 273835870 FNKMKVWRYQEZEK-UHFFFAOYSA-N 377.382 -0.108 5 20 GBBD O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 299604928 MDKZHKJYODLUIS-ZFWWWQNUSA-N 383.426 -0.249 5 20 GBBD C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502807481 CHYKFMDQKHYHOU-SECBINFHSA-N 397.413 -0.021 5 20 GBBD COc1cc(C(=O)NCC(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1OC 525060242 FBRZYNMEODUZDV-UHFFFAOYSA-N 396.400 -0.210 5 20 GBBD Nc1nccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 548056490 BRPXUAVTHOFYTG-UHFFFAOYSA-N 378.389 -0.811 5 20 GBBD NC(=O)c1ccc(SCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 579495517 DHXONJOILZMARN-GHMZBOCLSA-N 393.425 -0.444 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598596430 QHJOTZUXCSERLX-NSHDSACASA-N 386.434 -0.274 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600085000 JABFESGTUWYTKH-UHFFFAOYSA-N 385.402 -0.551 5 20 GBBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 781667394 CAADAJJWEXYENF-BDAKNGLRSA-N 386.386 -0.237 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 781840451 NOJDNLCGVQMMKX-VIFPVBQESA-N 395.390 -0.037 5 20 GBBD CN(CC(=O)OCC(=O)c1cnnn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 803359993 VXDGRVAPKAMSRT-UHFFFAOYSA-N 397.369 -0.230 5 20 GBBD Cn1cnn(CC(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)c1=O 826365199 FMLRCVHOIKGIPG-UHFFFAOYSA-N 379.724 -0.038 5 20 GBBD O=C1NC[C@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)CCN2C1=O 848584741 GZFYBZKBYZFLOU-JTQLQIEISA-N 384.295 -0.264 5 20 GBBD O=C(O)[C@@H]1C[C@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1601770753 BMGOPUCYYZRKIT-GJZGRUSLSA-N 378.385 -0.237 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)[C@@H]1CCOC1 1791753467 QVWOYSJOCNTVSH-RNJOBUHISA-N 393.400 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796402793 CCJOJXYYJZQNQA-PEGIJTEDSA-N 387.356 -0.375 5 20 GBBD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])n1cnnn1 1798689895 LFVUTUFITJAGNA-CHWFTXMASA-N 389.376 -0.183 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460138 HXBWCZNGJLKKOQ-UHFFFAOYSA-N 388.340 -0.940 5 20 GBBD CCCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 9216098 RLUITNLVQBWXBI-UHFFFAOYSA-N 388.402 -0.016 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 25020980 QSVRHURZUPTISW-CYBMUJFWSA-N 392.368 -0.395 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)C[C@H]2CCOC2)c1 264571700 VMBBLRNSPZVFPM-NSHDSACASA-N 393.443 -0.171 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 276209340 KZSFRGYDMPKCGG-ZIAGYGMSSA-N 384.414 -0.595 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 276509274 QZSHCENPSRCQGK-GXTWGEPZSA-N 385.398 -0.784 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 372149394 JGWWHEAJJDMGNU-SNVBAGLBSA-N 379.416 -0.084 5 20 GBBD COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nn1 441782648 AOEYAXJMBSIZDR-UHFFFAOYSA-N 376.329 -0.077 5 20 GBBD CC(C)(NS(C)(=O)=O)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 567024857 BQRJBDNDTBVPDE-UHFFFAOYSA-N 396.429 0.394 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CC(=O)N(C)C2)cc1[N+](=O)[O-] 589479338 IEYFCMPPEHXWBG-UHFFFAOYSA-N 399.429 -0.049 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCNC1=O 590926100 YLZAYNDFODEMOB-NSHDSACASA-N 399.429 -0.302 5 20 GBBD COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 600326033 IURMTPNGXYXOPG-WDEREUQCSA-N 381.341 -0.290 5 20 GBBD NS(=O)(=O)c1c(N2CCN(C(=O)CN3CCCC3)CC2)cccc1[N+](=O)[O-] 609132855 WFLNSRPQRVAMQP-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCS(=O)CC2)c([N+](=O)[O-])c1 609154869 SSROGYDHATTYMN-UHFFFAOYSA-N 390.443 -0.365 5 20 GBBD Cn1ncc2c(=O)n(CC(=O)NS(=O)(=O)c3cc([N+](=O)[O-])cs3)cnc21 732622399 VUZHEEMQOXATQX-UHFFFAOYSA-N 398.382 -0.395 5 20 GBBD CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826060538 NYQJWEBISLNNPA-DTWKUNHWSA-N 395.401 -0.032 5 20 GBBD O=C(CSc1nnnn1C1CC1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851326712 CHMRBILDLUEFCQ-UHFFFAOYSA-N 385.387 -0.092 5 20 GBBD O=C1COC[C@@]2(CNc3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])COCCN12 1593400593 RUUXJUGGNYWPCD-CYBMUJFWSA-N 381.374 -0.124 5 20 GBBD NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 1786799190 DYEQJONPQBZZON-LKTVYLICSA-N 378.385 -0.148 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 282326863 CYKPFLUVHRYQIZ-SECBINFHSA-N 393.331 -0.850 5 20 GBBD Cc1c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 392591296 KKAVYDROMNNRJO-CYBMUJFWSA-N 391.427 -0.142 5 20 GBBD NC(=O)COCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 441882997 BTWDEEKTSWBBEL-UHFFFAOYSA-N 376.272 -0.247 5 20 GBBD CCN1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 540468917 BHCBMVSLRCFPJE-CQSZACIVSA-N 386.430 -0.290 5 20 GBBD NC(=O)[C@@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 552188349 QYKPUTCBNBSPAQ-RFAUZJTJSA-N 382.398 -0.290 5 20 GBBD COC(=O)[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(C)C 564390102 KURNLQBWCOWEBJ-ZDUSSCGKSA-N 389.386 -0.065 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1CCCC1=O 572411082 BWGUZCORPIQVAU-UHFFFAOYSA-N 399.429 -0.205 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@H]3CC(=O)N3)CC2)c([N+](=O)[O-])c1 596666425 MRAZLEGJOZBICA-LLVKDONJSA-N 396.425 -0.075 5 20 GBBD NC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 609155217 BUGVDVNQAXTDSI-UHFFFAOYSA-N 382.398 -0.307 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(c3nnnn3C)CC2)cc1[N+](=O)[O-] 609351159 PUYPKGFVMJZWKZ-UHFFFAOYSA-N 383.390 -0.362 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 619490158 ZXDXCMOUPBORTH-GFCCVEGCSA-N 389.430 -0.083 5 20 GBBD CNS(=O)(=O)CCCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 735961806 VSTPTZSRHRNKRP-UHFFFAOYSA-N 385.354 -0.327 5 20 GBBD CN1C(=O)c2ccc(S(=O)(=O)NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2C1=O 785962329 LUEGRLTWRKLENI-UHFFFAOYSA-N 393.337 -0.327 5 20 GBBD CS(=O)(=O)CCCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1321943071 ACZDJDHUCSWETK-UHFFFAOYSA-N 385.398 -0.265 5 20 GBBD O=C(O)CN1CCC[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 1574718689 BFLHJNNNGHQNFS-LBPRGKRZSA-N 391.384 -0.038 5 20 GBBD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1795523276 AFLGNBZUHBMRDD-DPIQGUFMSA-N 380.376 -0.175 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@H]1CCCO1 1795897779 DCQFJFLLZPQQRM-FAXLKDOZSA-N 393.400 -0.440 5 20 GBBD CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)C1 1801559367 RSDAIWZYMPYZDN-PTEHBNRSSA-N 378.389 -0.917 5 20 GBBD CNC(=O)C1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 274388599 OPPWHYFYHZPLHX-AWEZNQCLSA-N 396.425 -0.048 5 20 GBBD CNS(=O)(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 276916832 XYXCPDTUDPHZPT-UHFFFAOYSA-N 396.403 -0.053 5 20 GBBD C[C@@H]1CC(=O)N[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 293655224 IDDKALBBPFULPK-QWRGUYRKSA-N 384.414 -0.096 5 20 GBBD CN(CCCNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O 298770538 HBMBMRFAGWOTKZ-UHFFFAOYSA-N 386.386 -0.100 5 20 GBBD O=C(N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@]1(O)CCOC1 413042476 YYKQUWJAMOVQMW-OAHLLOKOSA-N 385.398 -0.421 5 20 GBBD C[C@@](O)(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)CN1CCOCC1 478550506 FOBFOOZEVHHXKK-QGZVFWFLSA-N 390.400 -0.012 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 513328838 GTBDQDXLXDSIHR-UHFFFAOYSA-N 383.386 -0.185 5 20 GBBD NC(=O)c1cccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 552972444 WOWDISIWZPYBRN-UHFFFAOYSA-N 399.429 -0.607 5 20 GBBD O=C(NCC(=O)N1CCNCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 571514979 HAQRWAIMMDIIJI-UHFFFAOYSA-N 377.401 -0.407 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cccc1[N+](=O)[O-] 572035241 VHNQCYSEAYXLKS-UHFFFAOYSA-N 391.428 -0.072 5 20 GBBD NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 584737531 NNMQHECOBGGDAR-KGLIPLIRSA-N 396.425 -0.061 5 20 GBBD Cc1[nH]c(=NC[C@H]2CCCNC2=O)[nH]c(=NC[C@H]2CCCNC2=O)c1[N+](=O)[O-] 591183102 KJNRMNYMFJIUFO-VXGBXAGGSA-N 391.432 -0.587 5 20 GBBD O=C(NCC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O)Nc1cccc([N+](=O)[O-])c1 598905696 LCKSOTOWZSZYGN-MRXNPFEDSA-N 390.356 -0.083 5 20 GBBD CNC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 599384830 UIVYCWKJZSAAEN-JTQLQIEISA-N 388.402 -0.078 5 20 GBBD NC(=O)C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 600682462 OINKPLCWBLZIPU-VIFPVBQESA-N 376.325 -0.706 5 20 GBBD C[C@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1=O 750757496 OYCUIEPTGOKLDJ-CQSZACIVSA-N 397.369 -0.485 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)Cn1ccc(=O)n(C)c1=O 789482462 KYWGYOSXILFTQC-UHFFFAOYSA-N 382.354 -0.731 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1COCCN1CC(F)F 847894220 HYUVDJHQAJLIFT-SECBINFHSA-N 380.329 -0.239 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1117538888 IKPOZSOUNIGLRL-UHFFFAOYSA-N 384.414 -0.739 5 20 GBBD O=C(O)[C@@H](CN1CCOCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 1330675584 SRRJMCIWFNAEEH-CYBMUJFWSA-N 387.414 -0.158 5 20 GBBD CCNC(=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1578228640 NTSWRWHOPKDZJJ-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793167105 BQGJTELYSZCEMP-ILWJIGKKSA-N 383.361 -0.860 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1840636068 GPECWQXEEVXGRZ-INIZCTEOSA-N 379.373 -0.202 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 42994829 QYVFXWXLZSICKU-JTQLQIEISA-N 391.427 -0.434 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])s1 264212803 UBHYLJMNQIYMDW-NXEZZACHSA-N 375.428 -0.116 5 20 GBBD CCCNC(=O)CN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 298790221 JPQOBTPOTKKKLR-UHFFFAOYSA-N 379.417 -0.137 5 20 GBBD C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-])C(=O)N1CCOCC1 414325512 XLRPHQFCYGAKAX-VIFPVBQESA-N 387.370 -0.181 5 20 GBBD CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 425745592 SPWQZCASRJVVAI-JTQLQIEISA-N 390.356 0.565 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 432488572 KQSFTXVNZRWKKO-UHFFFAOYSA-N 395.397 -0.131 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1C(=O)CCCC1=O 461582631 UVORPSXWROPRRD-UHFFFAOYSA-N 390.352 -0.025 5 20 GBBD CC(C)[C@@H](C(=O)O)N1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 478991081 MUCLLHGCJQPHGJ-FZMZJTMJSA-N 380.357 -0.417 5 20 GBBD C[C@@H](CS(C)(=O)=O)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 500549516 CBVACACIBHFNIW-JTQLQIEISA-N 393.443 -0.188 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CCO)CCN1CCOCC1 513805535 RZJAJIDCVOBFLR-AWEZNQCLSA-N 398.464 -0.020 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 553561174 VSUBCYBBHVRJFI-UHFFFAOYSA-N 392.459 -0.018 5 20 GBBD O=C(NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1 595549743 LUXPGAVUOHUHFO-HNNXBMFYSA-N 382.421 -0.342 5 20 GBBD CCOC(=O)C[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 597671868 ALQAHDVPIWNBLA-SNVBAGLBSA-N 389.386 -0.697 5 20 GBBD CN(CCOCCN)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 600797845 PDPHHTGRYIBILU-UHFFFAOYSA-N 380.405 -0.928 5 20 GBBD C[S@](=O)CCN1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 832731053 WOMFUOWJVHXBQK-MHZLTWQESA-N 398.441 -0.090 5 20 GBBD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@@H](C)O1 839517209 QIAKVOYDCJTQKB-YVECIDJPSA-N 376.435 -0.850 5 20 GBBD CCn1ncc(CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 859366171 AGFAGKIVCZVVMV-UHFFFAOYSA-N 376.377 -0.117 5 20 GBBD C[S@](=O)CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1117322052 AEHMDZSOCQEJFZ-MHZLTWQESA-N 396.425 -0.626 5 20 GBBD C[C@H](O)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1325669999 QELYFKATQXKREC-LBPRGKRZSA-N 378.385 -0.282 5 20 GBBD O=C(Cn1ccnc1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383831 TZKWJUQKOMLYJL-MRXNPFEDSA-N 389.372 -0.342 5 20 GBBD CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1796404337 NIVUECZYBGFMCF-ZSBIGDGJSA-N 378.389 -0.917 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2)c1ccc([N+](=O)[O-])[nH]1 1798747277 PXGFGSZQHAJQEQ-YFKFIEJBSA-N 390.356 -0.131 5 20 GBBD O=C(NC1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1)C(O)O 1833221311 CQLSQNUZMMGETK-UHFFFAOYSA-N 395.416 -0.581 5 20 GBBD CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792694 AOKAMJPSMRPPSP-WBMJQRKESA-N 397.388 -0.841 5 20 GBBD COC[C@H](C)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 265462328 ZABNDPUBHWCETB-JTQLQIEISA-N 381.432 -0.173 5 20 GBBD COCCN(CC(=O)OC)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 266120397 MIFYDOKATFRHJC-UHFFFAOYSA-N 389.386 -0.188 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 274990183 FAAFVGUGWYTYTJ-LLVKDONJSA-N 378.384 -0.224 5 20 GBBD COCCNC(=O)CNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 275037690 DNYIDMCQXSTFLA-UHFFFAOYSA-N 390.374 -0.186 5 20 GBBD CN(CCOCCO)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 297894802 PNLQXTQLYLAODK-UHFFFAOYSA-N 380.401 -0.289 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCS(=O)(=O)CC1 298487392 VLPNKHDFLWKFOA-LBPRGKRZSA-N 398.441 -0.440 5 20 GBBD O=C(C(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410674403 WXKVQRXQRVTPTF-GZBFAFLISA-N 389.412 -0.132 5 20 GBBD COc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] 475460248 QNHVFFMEFBQJIL-TZMCWYRMSA-N 399.425 -0.169 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)c([N+](=O)[O-])n1 553576318 ZOUWXFUDQGESIG-SNVBAGLBSA-N 395.463 -0.144 5 20 GBBD CS(=O)(=O)NC1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 599419944 BAPHLTPWYCOKEG-UHFFFAOYSA-N 393.399 -0.712 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 609955089 GSSKCZIWDOBGGJ-LBPRGKRZSA-N 391.384 -0.305 5 20 GBBD CC(C)(C(=O)NCCS(=O)(=O)N1CCOCC1)n1cc([N+](=O)[O-])cn1 726504779 GHQRXZYCBASYNQ-UHFFFAOYSA-N 375.407 -0.695 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 802107505 BNPGWSLZLXLTHF-UHFFFAOYSA-N 395.415 -0.449 5 20 GBBD CCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 833665657 LMMGQYAGMXDDLN-UHFFFAOYSA-N 381.388 -0.489 5 20 GBBD CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1340804025 YOKOOHSYMRSETD-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(C(=O)O)cc([N+](=O)[O-])c2=O)C1 1591365925 GUCOGELEYSTTOX-CYBMUJFWSA-N 396.400 -0.072 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(-c4nn[nH]n4)c3)CCN2C1=O 1609227664 HCBBHPDHFIYNRA-NSHDSACASA-N 387.360 -0.170 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784719191 DYMWUVDSVFXBSJ-BZNIZROVSA-N 379.373 -0.202 5 20 GBBD CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411784 FUIGDNQHNFOJRC-UHFFFAOYSA-N 395.445 -0.381 5 20 GBBD COCCOCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66889603 MNHOBNTXLVRSPS-UHFFFAOYSA-N 390.418 -0.165 5 20 GBBD O=C([C@H]1COCCN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262642934 RIMYSRNFUDXDTJ-GFCCVEGCSA-N 384.414 -0.584 5 20 GBBD O=C(C[C@H]1NC(=O)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O)N1CCOCC1 269675406 OYYKKUFKOISULZ-ZIAGYGMSSA-N 392.368 -0.203 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 366711144 QHAKUWUQYKMDCP-SECBINFHSA-N 386.386 -0.115 5 20 GBBD CN(CC(=O)O)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O 435702719 BYVCXIOAVBGBJD-LSDHHAIUSA-N 389.368 -0.018 5 20 GBBD Cn1cc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O 524835821 ZQBXEPXIAPVFRB-UHFFFAOYSA-N 393.381 -0.178 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@@]1(O)CCCOC1 593881856 YDMOXZRKFVNIBD-HNNXBMFYSA-N 387.414 -0.079 5 20 GBBD COC(=O)c1cc(C)nc(N2CCOC[C@@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] 599185820 UWIGZKIVDCWQKN-JTQLQIEISA-N 388.402 -0.161 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 801812693 IGQYQRYNMSPDLR-UHFFFAOYSA-N 375.382 -0.120 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O 841543257 SXKSTRAUHVVRJO-UHFFFAOYSA-N 394.768 -0.295 5 20 GBBD O=C(NN1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 862733406 CEVWLCXHWBXDMD-UHFFFAOYSA-N 384.414 -0.193 5 20 GBBD Cn1nnnc1-c1cccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 917441990 RHULSTJJQYEDHN-UHFFFAOYSA-N 392.357 -0.513 5 20 GBBD CC(=O)N1CC(C(=O)NCCN(C)c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 1588805006 HWBJZJJIGYPLSS-UHFFFAOYSA-N 388.388 -0.194 5 20 GBBD CC(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476570 VAUJLIZXUTYFHM-MNXVOIDGSA-N 395.416 -0.072 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1)C(O)O 1802918641 HJPQLHFAPTZOJK-ZYHUDNBSSA-N 390.356 -0.657 5 20 GBBD Cn1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 67450528 IBFDIZVWZASRMA-UHFFFAOYSA-N 397.413 -0.940 5 20 GBBD O=C(NC[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1)[C@@H]1CCCN1 261871219 ODZNFUFSIMKQIR-HIFRSBDPSA-N 391.428 -0.137 5 20 GBBD O=C(CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])NCCO 268314183 KXMVHXCVFQWYFS-UHFFFAOYSA-N 388.402 -0.864 5 20 GBBD Cc1c(NC(=O)[C@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] 268945755 MUYKWCZWCUBUJN-NWDGAFQWSA-N 375.385 -0.127 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@@H](O)C[C@H]1CO 276132865 PZILVTBABUOCGT-UWVGGRQHSA-N 381.341 -0.351 5 20 GBBD CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 280089272 SISOITHQHMEXAH-UHFFFAOYSA-N 380.405 -0.373 5 20 GBBD CN(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O 287647573 WCABWNMGYILWDM-CHWSQXEVSA-N 388.402 -0.726 5 20 GBBD CO[C@@H]1C[C@H]2C(=O)N(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)N2C1 349313323 CGXNFYVIJYVACX-YPMHNXCESA-N 398.397 -0.075 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN([C@H]3COC[C@H]3O)CC2)cc1[N+](=O)[O-] 463073683 JQHPPGOAAUTPLR-UONOGXRCSA-N 387.414 -0.331 5 20 GBBD C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 470485472 YKDNVPMMHOAZCL-AAEUAGOBSA-N 387.414 -0.129 5 20 GBBD C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 511833664 IBMZENHHADFVNW-CYBMUJFWSA-N 379.421 -0.269 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 587137510 NPAGGMIEPGPPBS-UHFFFAOYSA-N 398.445 -0.286 5 20 GBBD CN1CCN(CCNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 609160764 BCSSKDCKSXNJKV-UHFFFAOYSA-N 378.433 -0.242 5 20 GBBD Cc1c(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] 837976817 DKXMHSAOFVOMEY-UHFFFAOYSA-N 379.329 -0.110 5 20 GBBD Cc1nn(C)c(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c1[N+](=O)[O-] 920663067 MYSRPAFDIRIQTJ-UHFFFAOYSA-N 391.406 -0.809 5 20 GBBD NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1318312749 GOUHVFXIRUXGKQ-AWEZNQCLSA-N 377.401 -0.303 5 20 GBBD CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010985 OBZVKUNWOVJRRU-GNXNZQSNSA-N 380.405 -0.479 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097248 FQTKEATZPPIDSU-USBNGQNGSA-N 397.363 -0.254 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 269215885 SWXLJLYFHMNGQZ-CYBMUJFWSA-N 380.405 -0.912 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 271439222 XHYLBFPVMNZVKL-NSHDSACASA-N 378.432 -0.240 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 272468848 DKSCNKIZJYGKOB-KBPBESRZSA-N 385.398 -0.472 5 20 GBBD COC[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)OC 273054871 XUZSVVXNNNRJPQ-GFCCVEGCSA-N 375.403 -0.007 5 20 GBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 286450862 OCQCQUSOMSBGHH-NSHDSACASA-N 394.203 -0.032 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 288640383 QGMMFUPXUYDDFO-ZDUSSCGKSA-N 398.803 -0.120 5 20 GBBD Cc1nc(NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1C 421112355 MEGHDKMLKWKETF-UHFFFAOYSA-N 397.417 0.474 5 20 GBBD CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 422108373 ULXIMBNRXFLJEE-AWEZNQCLSA-N 389.412 -0.020 5 20 GBBD CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)C1 566799884 LLFMHOBWNWEIAU-UHFFFAOYSA-N 387.370 -0.229 5 20 GBBD CN[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 578313945 DEHVZCXKZVNTCS-CYBMUJFWSA-N 376.417 -0.151 5 20 GBBD CCN1C(=O)[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CCN2C1=O 751968197 JFOOHFBFBDGCKQ-LLVKDONJSA-N 383.386 -0.285 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CO)CC1 767293091 ZRKMIKXRJMTZSM-UHFFFAOYSA-N 388.402 -0.582 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 916765577 NKAYIBYYMBTOLU-UHFFFAOYSA-N 378.330 -0.728 5 20 GBBD CC(C)(C)C(=O)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1117604036 NLWOHZYIKJZOQK-UHFFFAOYSA-N 380.405 -0.376 5 20 GBBD NC(=O)C1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 1256740854 RQQVQOJXOUABDA-UHFFFAOYSA-N 378.385 -0.116 5 20 GBBD Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1344898697 BZZNCGJJVPKNGP-UHFFFAOYSA-N 390.408 -0.299 5 20 GBBD Cc1cc(NC2CN(S(=O)(=O)N(C)C)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] 1605723325 LGNLGZJEHAMMAE-UHFFFAOYSA-N 382.406 -0.014 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)c1cnc[nH]1 1785998116 IFOMEVWUCKYCGQ-KWBADKCTSA-N 389.372 -0.052 5 20 GBBD Cc1cc(C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)ncc1[N+](=O)[O-] 1843518512 DPSMYMFXZVSKKX-UHFFFAOYSA-N 376.373 -0.216 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCCNC1=O 66360419 OCZSSYQEYQSIML-CYBMUJFWSA-N 399.429 -0.159 5 20 GBBD C[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)N(C)C 264897445 KYQYUTNLVPEAMR-SECBINFHSA-N 387.418 -0.363 5 20 GBBD O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 269200767 YCRSSCSLMRQVCZ-CYBMUJFWSA-N 398.441 -0.194 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 277789021 XCCWATOTQKHQMF-GFCCVEGCSA-N 384.370 -0.330 5 20 GBBD CNC(=O)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 280752314 KSRHYDZJRFLMLI-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD CN(C)C(=O)CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 293386980 IYPNUGQCWZNZSQ-UHFFFAOYSA-N 391.384 -0.916 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CO)[C@H]1CCCO1 468661183 KCMUUROLVUWOAT-UONOGXRCSA-N 387.414 -0.081 5 20 GBBD O=C(NCCN1CCN(c2ncccn2)CC1)NCCn1cc([N+](=O)[O-])cn1 489960671 MZABVIVMDCUAJC-UHFFFAOYSA-N 389.420 -0.297 5 20 GBBD COc1cc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1OCC(N)=O 499694971 MNQSHRJPYCZUFI-UHFFFAOYSA-N 390.352 -0.054 5 20 GBBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1CCN2CCOC[C@@H]2C1 502849746 YQKQNCPSYMFDQF-LBPRGKRZSA-N 388.384 -0.370 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 524686546 SQEGKFCNMPWMFD-SECBINFHSA-N 378.432 -0.240 5 20 GBBD NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 579599921 DMXXPHHWKHWBHV-SECBINFHSA-N 375.384 -0.116 5 20 GBBD COC(=O)C[C@@H](O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 599461299 BXTSGGANUJLYPO-MRVPVSSYSA-N 376.343 -0.432 5 20 GBBD CN1C(=O)CN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 599978558 MJAISSICRSOKOG-UHFFFAOYSA-N 389.368 -0.227 5 20 GBBD CN(CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1CC1 609581683 WQNBEDLLUHKDIR-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C(=O)O 619471528 DTEYWEVICRTGOS-KLVQOETNSA-N 378.384 -0.190 5 20 GBBD CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 735771135 KIZSDCZUFIIFMF-SECBINFHSA-N 375.363 -0.820 5 20 GBBD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1=O 750757495 OYCUIEPTGOKLDJ-AWEZNQCLSA-N 397.369 -0.485 5 20 GBBD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCCn1cc([N+](=O)[O-])ccc1=O 761409865 WBESAKANQDLMNN-FKGLVLAHSA-N 391.336 -0.538 5 20 GBBD 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BFHBMUYSAYAUOJ-LBPRGKRZSA-N 396.425 -0.453 5 20 GBBD COC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1591272874 KFRVIKGBZHSCIS-UHFFFAOYSA-N 397.373 -0.152 5 20 GBBD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829490536 YFPWBSKCQIXZSI-BDJLRTHQSA-N 383.357 -0.361 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1841618418 ZOZYDAJMWYEUOW-JTQLQIEISA-N 399.429 -0.184 5 20 GBBD C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1S(C)(=O)=O 271883078 MVZXZCITEHOZSZ-VIFPVBQESA-N 378.432 -0.288 5 20 GBBD O=C(CCN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F 275667651 WWOYOLBINHIIRI-LLVKDONJSA-N 379.348 -0.295 5 20 GBBD CCOc1cc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)c([N+](=O)[O-])cc1OCC 277658168 ZPIDMOAKIXWSSL-TXEJJXNPSA-N 383.357 -0.105 5 20 GBBD COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 293070932 XRYHNJLOVMGYRL-RISCZKNCSA-N 391.336 -0.284 5 20 GBBD O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 299604922 MDKZHKJYODLUIS-DZGCQCFKSA-N 383.426 -0.249 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 299681139 RMUZKYVQZVMVAC-GJZGRUSLSA-N 399.425 -0.724 5 20 GBBD CCOC[C@H](O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 433351000 HBBAOTMVMNNKPL-GFCCVEGCSA-N 375.403 -0.271 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@](C)(O)CN1CCOCC1 467488918 YIGAEXIPPOVLAR-SCLBCKFNSA-N 394.428 -0.088 5 20 GBBD COc1c(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] 476672540 YXCLVYXXUMJYOH-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 591572975 HHBMYKPQBUFSBX-TZMCWYRMSA-N 392.416 -0.787 5 20 GBBD CCO[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C[C@H]1CN 593917309 ZCPAAPANFXOMFP-QMTHXVAHSA-N 386.430 -0.014 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCC1=NNC(=O)C1 597664168 GWRQGMJUJKIWPD-UHFFFAOYSA-N 383.386 -0.355 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)COc1cccc([N+](=O)[O-])c1 619876231 XHIMVKKINDPTPL-CQSZACIVSA-N 395.368 -0.120 5 20 GBBD Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 826359339 CZWPORICVCPMRQ-JTQLQIEISA-N 394.373 -0.480 5 20 GBBD Cc1nn(C)c(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)c1[N+](=O)[O-] 920660511 HAKNVLJINXDADD-UHFFFAOYSA-N 389.372 -0.068 5 20 GBBD CNC(=O)CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 18057283 BKUXIUDTUJPXDE-UHFFFAOYSA-N 385.446 -0.287 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 52798211 GQSXFTADJVWKOA-UHFFFAOYSA-N 386.386 -0.161 5 20 GBBD CCN(C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)[C@@H]1CC(=O)NC1=O 266808345 GUDCLDLCXUFVCC-LLVKDONJSA-N 384.370 -0.572 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 275079085 IIDUTTJQQUKJTO-LBPRGKRZSA-N 392.411 -0.349 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCNS(=O)(=O)N(C)C 288150146 GPCPHAMAJQNBOD-JTQLQIEISA-N 387.418 -0.775 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1[nH]nnc1C(=O)NC1CC1 297875137 ZZDKBSMFAKSGIY-UHFFFAOYSA-N 399.323 -0.160 5 20 GBBD O=C1[C@H]2[C@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 349362437 IXMXFKMMEZCDLL-CHWSQXEVSA-N 398.397 -0.339 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1=O 416556122 XZXFXCNNRNCFIF-UHFFFAOYSA-N 393.381 -0.539 5 20 GBBD Cc1cc(S(=O)(=O)N2Cc3nnc(O)n3C[C@H]2C(=O)O)ccc1[N+](=O)[O-] 424392332 PENMAFVJFCXUNA-JTQLQIEISA-N 383.342 -0.142 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 499947339 SGEWSJWZDCTKGD-SECBINFHSA-N 395.397 -0.071 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCC(=O)N2CCOCC2)ccc1[N+](=O)[O-] 543935139 DLSNWTLORLDJAV-UHFFFAOYSA-N 378.385 -0.002 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1[C@H]2COC[C@H]1C2 594356413 RRHKLUXEGBSDPX-NMKXLXIOSA-N 397.409 -0.282 5 20 GBBD O=C(c1ccc(C(=O)N2CCOCCN2)c([N+](=O)[O-])c1)N1CCOCCN1 597706719 YQHKLMQOQFQHDM-UHFFFAOYSA-N 379.373 -0.451 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 757328846 FCZRBQOLUXASTG-UHFFFAOYSA-N 395.415 -0.449 5 20 GBBD O=C(N[C@@H]1CCOC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1258144139 LPIYDKKAKPVRBG-SNVBAGLBSA-N 382.398 -0.154 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1322705173 GKQLPOFAXVYPBS-INIZCTEOSA-N 394.428 -0.595 5 20 GBBD C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1)[C@@H]1CN(C)CCO1 1589974846 SHMUNJZSPRPCQA-CABZTGNLSA-N 397.417 -0.228 5 20 GBBD CN1C[C@H](C(=O)O)N(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1=O 1606199699 ICAXPKZIMOVUCE-CQSZACIVSA-N 392.368 -0.201 5 20 GBBD O=c1c(-c2nn[nH]n2)cn(CCO)c(=O)n1Cc1cc(Cl)ccc1[N+](=O)[O-] 1607092566 ZAGFQMPFAPNADG-UHFFFAOYSA-N 393.747 -0.208 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)C3=COCC3)C2)C1 1784762828 ZMULFXWMENMXNG-KRWDZBQOSA-N 391.384 -0.075 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)c([N+](=O)[O-])c1 1800343086 MQNPGDVBGWUHKF-RNJOBUHISA-N 377.401 -0.162 5 20 GBBD CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1841585583 BIPKSRUNLGOJJO-UHFFFAOYSA-N 385.402 -0.430 5 20 GBBD N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828363 XUWZGCZLIBGPHW-UHFFFAOYSA-N 375.389 -0.420 5 20 GBBD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845472844 YGSGFSSMDWSRJO-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CCS(N)(=O)=O)CC1 266871538 QBDYREMQDQQQMX-LBPRGKRZSA-N 385.446 -0.172 5 20 GBBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 267122892 BCXYOSITVKETCR-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD COc1ccc(OCCN2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 267908910 FGDNCDQUOFPEBB-UHFFFAOYSA-N 388.446 -0.112 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 268470504 XVRBCYFUOPOAKW-YIYPIFLZSA-N 382.373 -0.679 5 20 GBBD O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 269200770 YCRSSCSLMRQVCZ-ZDUSSCGKSA-N 398.441 -0.194 5 20 GBBD COCC(=O)N(C)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 270325316 ZIPDMDOUGTUBCM-UHFFFAOYSA-N 388.402 -0.906 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)CN(C)C)CC2)ccc1[N+](=O)[O-] 272799325 HLWLWMHKJBTKBI-UHFFFAOYSA-N 391.428 -0.135 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC(F)(F)CO 274533369 RATIONVKHKGMNB-UHFFFAOYSA-N 382.345 -0.200 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 276509355 QZSHCENPSRCQGK-TZMCWYRMSA-N 385.398 -0.784 5 20 GBBD NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 286593032 XIPWXFPOJOVICR-LLVKDONJSA-N 394.203 -0.032 5 20 GBBD CCOC(=O)[C@@H]1NCC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 422937497 CNNJGXDNSMQQDW-ZIAGYGMSSA-N 386.430 -0.244 5 20 GBBD N[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 423155306 IVQPYHFKCLNXET-NSHDSACASA-N 395.441 -0.110 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 447944495 MUMPZWWPVDGGBA-SECBINFHSA-N 377.762 -0.090 5 20 GBBD CN(C)CCOCCNC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502844959 NEFFMUDAFXKKDL-UHFFFAOYSA-N 378.389 -0.218 5 20 GBBD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc([N+](=O)[O-])c1N 531387762 SNKDTFICIUWCPZ-SNVBAGLBSA-N 384.414 -0.058 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 598736094 ZNFYPAZDJDMAHG-UHFFFAOYSA-N 383.386 -0.185 5 20 GBBD CN(C)S(=O)(=O)N1CC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 599183176 XZOHOOCPPDSRKJ-UHFFFAOYSA-N 379.420 -0.855 5 20 GBBD C[C@]1([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)NC(=O)NC1=O 820613215 WSRSJQWEDYJLSV-VXJOIVPMSA-N 387.360 -0.016 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C2CCOCC2)c1-c1nn[nH]n1 826500317 TWDOZIPJJMNLGJ-NSHDSACASA-N 398.401 -0.159 5 20 GBBD CNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)CC1 1598644874 NAINWQNJJGYGPV-UHFFFAOYSA-N 386.386 -0.655 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)OC 1777104615 KSROQKOIGHMCFQ-MRVPVSSYSA-N 390.326 -0.324 5 20 GBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 1798009872 QETBGVYEVKTRIY-DDFAGTSDSA-N 389.372 -0.134 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 43057701 OGZRZHTVMKBLAQ-NSHDSACASA-N 385.398 -0.217 5 20 GBBD COCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 273635687 DGXJKYQBAUTTDM-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 287240136 GUUPFRYYFZRPHU-UHFFFAOYSA-N 392.459 -0.018 5 20 GBBD CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 299267732 VPIPJQFFPAMPJG-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424441074 SMQQBBHLWPHRMS-LLVKDONJSA-N 399.381 -0.140 5 20 GBBD Cc1c(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 467707804 VFOOSNQQOKMMLO-ZWNOBZJWSA-N 382.398 -0.099 5 20 GBBD Cc1c(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] 471317491 PFSYWPDYBKCFMJ-HOTGVXAUSA-N 397.453 -0.252 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NC[C@](C)(O)C(=O)O)cc2[N+](=O)[O-])CC1 471461498 ZGPVBYBSTKCRGG-KRWDZBQOSA-N 394.384 -0.171 5 20 GBBD CN1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 472573572 HMEVJASXAOFZKM-UHFFFAOYSA-N 381.364 -0.047 5 20 GBBD COCC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 480000158 RKPAJVRFKMKACI-NSHDSACASA-N 390.418 -0.430 5 20 GBBD CN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 481296961 VMNIAJZEMHTHLL-CYBMUJFWSA-N 399.429 -0.207 5 20 GBBD CCn1cc(S(=O)(=O)NC2CCN(C(=O)COC)CC2)c([N+](=O)[O-])n1 532855450 ZKUBHXBUUOLVJJ-UHFFFAOYSA-N 375.407 -0.273 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 548256659 YRKUABBIUSHPGA-LLVKDONJSA-N 378.384 -0.392 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 559272065 HIOKYZAZSUZQHR-UHFFFAOYSA-N 384.292 -0.350 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCS1(=O)=O 565488547 MTCFDSHWEDKREW-LBPRGKRZSA-N 391.427 -0.434 5 20 GBBD CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])CCO1 570574597 QLXGZHFXILKUGD-LLVKDONJSA-N 387.370 -0.181 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 592912309 XJZOURVVFJWWLI-MNOVXSKESA-N 386.382 -0.006 5 20 GBBD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 597552380 JSEIWKLLSRUILX-PGUXBMHVSA-N 396.425 -0.015 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CCN2C1=O 598605045 XJBNSNDAKOQLLK-NSHDSACASA-N 391.388 -0.306 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599247380 BKTZPGGDBACTCR-AMIZOPFISA-N 386.390 -0.673 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 600550542 WYVQGJDBPMPBJA-UHFFFAOYSA-N 386.386 -0.236 5 20 GBBD COc1ccc(NC(=O)COC(=O)c2cn(C)c(=O)n(C)c2=O)c([N+](=O)[O-])c1 735153712 GLBJZCARTQCWCF-UHFFFAOYSA-N 392.324 -0.204 5 20 GBBD C[S@@](=O)CCN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 741291774 VGVOZLHIXSBHHP-AREMUKBSSA-N 382.442 -0.153 5 20 GBBD COc1cc(CCNC(=O)C(=O)NCC[S@](C)=O)c([N+](=O)[O-])cc1OC 785586756 HFKSHIUMXVIXFW-SANMLTNESA-N 387.414 -0.235 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(C2)OCCO3)c1-c1nn[nH]n1 826499991 HKHMQCZRGNFCRB-UHFFFAOYSA-N 382.358 -0.088 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1327438717 SJPPEKOMMCGYBN-ZDUSSCGKSA-N 384.414 -0.249 5 20 GBBD C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)O[C@H](C)C[N+](=O)[O-] 1589889437 IESVKZVXEJHZRS-BDAKNGLRSA-N 384.374 -0.258 5 20 GBBD C[C@H](C(=O)NC1CC1)N1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1603008003 NAEXHSBEVSOPTN-SNVBAGLBSA-N 387.404 -0.041 5 20 GBBD C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCN1CCO 1603939511 VDHVXSHSYPXZHX-SNVBAGLBSA-N 397.417 -0.538 5 20 GBBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)ncc1[N+](=O)[O-] 1842883035 DLVLDIMHVHAJMV-UHFFFAOYSA-N 375.389 -0.402 5 20 GBBD O=C(CN1CCOC1=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844410737 LASFCNWNQVFPDI-UHFFFAOYSA-N 378.345 -0.413 5 20 GBBD Cn1c(=O)c2c(ncn2CCn2cc([N+](=O)[O-])cc(Cl)c2=O)n(C)c1=O 268578954 CEZOLEXFCKVEAI-UHFFFAOYSA-N 380.748 -0.143 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 276181875 APENOEHTSLMNSL-GXTWGEPZSA-N 385.398 -0.784 5 20 GBBD CNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 298758121 OLIXQZMJBKNCAK-UHFFFAOYSA-N 387.400 -0.012 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C2)nn1 368622855 OFDLGMGQGZUMFX-CQSZACIVSA-N 385.340 -0.138 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 372149392 JGWWHEAJJDMGNU-JTQLQIEISA-N 379.416 -0.084 5 20 GBBD C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)S1(=O)=O 427895301 NCCXFJBFVCVJMQ-IUCAKERBSA-N 391.427 -0.110 5 20 GBBD CCOC(=O)c1cc(C(=O)N2CC(=O)NC[C@@H]2C(=O)OC)cc([N+](=O)[O-])c1 468649046 SKYROLFPZZKYAL-GFCCVEGCSA-N 379.325 -0.115 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 540156704 HRJYITQZEVFULN-VIFPVBQESA-N 377.400 -0.824 5 20 GBBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(CO)CO 579846696 DDBSNRJQRBMTIH-UHFFFAOYSA-N 382.402 -0.010 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] 597639998 JQXOXCWXRGSMBC-JTQLQIEISA-N 383.361 -0.599 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1 732089347 IBKSJQIEBYYFKP-CYBMUJFWSA-N 392.328 -0.092 5 20 GBBD CS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851326678 BXNNJYCZWYFNJQ-VIFPVBQESA-N 392.415 -0.391 5 20 GBBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1318263095 UZBAQELLSHURCM-LSDHHAIUSA-N 398.441 -0.448 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1324523031 WKHXVHDLBDKVLV-AWEZNQCLSA-N 398.441 -0.206 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[C@H]2C1 1328315692 NOCBEJGGLAUNRO-RYUDHWBXSA-N 396.425 -0.142 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)C3CC3)CC2)c(-c2nn[nH]n2)c1 1593486516 WYKQBFSMHXFJDX-UHFFFAOYSA-N 380.390 -0.216 5 20 GBBD O=C(Cn1cnnn1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 14690559 DNHLAZAQAXRYKD-UHFFFAOYSA-N 381.374 -0.886 5 20 GBBD COc1ccc(NC(=O)COC(=O)CN2C(=O)CN(C)C2=O)c([N+](=O)[O-])c1 19112565 WAODMGKHTWQCFM-UHFFFAOYSA-N 380.313 -0.021 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1 50857563 DGDHPNUMNXDNEO-ZDUSSCGKSA-N 378.341 -0.004 5 20 GBBD CNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 55127281 QCCOWSKKBWVEHS-NSHDSACASA-N 384.414 -0.142 5 20 GBBD CS(=O)(=O)CCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 138349073 FZNFFWHFQMMMOI-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD CS(=O)(=O)NCCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 263975662 DEKIAHCYZRWALA-UHFFFAOYSA-N 395.415 -0.416 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 283165366 GNOIKCSPJNHICZ-UHFFFAOYSA-N 395.401 -0.603 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)OC)cc1[N+](=O)[O-] 416416332 LOWVBKMHSOVWDQ-GFCCVEGCSA-N 388.354 -0.056 5 20 GBBD Cc1c(C(=O)NC[C@@H]2CN(C)CCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 469969419 NRXGCOCVTSVUFJ-LLVKDONJSA-N 385.446 -0.474 5 20 GBBD O=C(N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1(O)CCOCC1 475279988 LUBCEVPCCNYQTG-UHFFFAOYSA-N 399.425 -0.031 5 20 GBBD CO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](CN)C1 570928504 JZYDHKRIDFKJKF-VXGBXAGGSA-N 386.430 -0.162 5 20 GBBD Cn1cnc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 590470727 NXURGPCBRGZFSO-KOLCDFICSA-N 396.385 -0.514 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)C3(C(N)=O)CC3)CC2)c([N+](=O)[O-])c1 609459767 AVZKQTQOWWXXKO-UHFFFAOYSA-N 396.425 -0.088 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 609623607 HQOMOXCFJXUAKU-CYBMUJFWSA-N 399.429 -0.327 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCS(=O)(=O)NCC1CCC1 610263517 XRSPIRXJJAHQNF-UHFFFAOYSA-N 378.432 -0.012 5 20 GBBD O=C(CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)NCCO 810394795 APDVONMGTZOAAF-UHFFFAOYSA-N 389.162 -0.480 5 20 GBBD Cc1cc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc([N+](=O)[O-])c1F 849396344 ZCAMSUAMZDTZKS-LBPRGKRZSA-N 382.391 -0.130 5 20 GBBD NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 862681570 IPONSSVBZJXNAZ-KCJUWKMLSA-N 384.295 -0.520 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 1117563236 TXAHOUPKXFPKDF-CYBMUJFWSA-N 380.405 -0.912 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1117604418 QATQQAZZZFSNIS-LLVKDONJSA-N 378.389 -0.575 5 20 GBBD C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 1322317003 VEBWYIZQPBZBMB-CZUORRHYSA-N 394.428 -0.077 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1cnn[nH]1)C1CCN(Cc2nc(O)n[nH]2)CC1 1578030606 XTRBOWXNSBFWMN-VXGBXAGGSA-N 391.392 -0.713 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnsn1)C2)c1n[nH]cc1[N+](=O)[O-] 1798007824 NDUKCVLNSCDONQ-AKZRSSKFSA-N 393.385 -0.314 5 20 GBBD COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829479690 BSRPIYMHJPLLSM-INIZCTEOSA-N 383.357 -0.096 5 20 GBBD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)C(O)O)C3)c([N+](=O)[O-])c1 1845535513 KOBXUWYUMHAKCS-UHFFFAOYSA-N 393.352 -0.491 5 20 GBBD Nc1nc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ncc1[N+](=O)[O-] 265605357 SWWNKSUTQSDUOX-UHFFFAOYSA-N 387.404 -0.080 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 266078144 UESRHOCLIHBGII-LSDHHAIUSA-N 383.426 -0.249 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 267855578 OAUDQHGTONIMDY-NSHDSACASA-N 377.357 -0.431 5 20 GBBD COC(=O)[C@]1(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCOC1 273061697 LNLWCESVYDLWPM-INIZCTEOSA-N 381.341 -0.219 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 428623378 HVNWTFNWUVXRSR-ZDUSSCGKSA-N 377.401 -0.573 5 20 GBBD CS(=O)(=O)c1ccc(NCCNS(=O)(=O)C2COC2)c([N+](=O)[O-])c1 493526446 NCNJAPWGKSLAMY-UHFFFAOYSA-N 379.416 -0.272 5 20 GBBD COc1ccc(CC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] 571046162 BEIQCXYDVVCRAN-UHFFFAOYSA-N 398.441 -0.408 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@]1(C(=O)O)CCOC1 595998144 SQCOPXBXTXBFRX-CQSZACIVSA-N 387.370 -0.377 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)NC[C@@H](O)C(=O)NC)cc([N+](=O)[O-])c1C 809837687 FYZQAFKSGGSXKL-GFCCVEGCSA-N 389.386 -0.535 5 20 GBBD C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@H]1CN(C)CCO1 824641805 ZDNLTRWOMCRIOP-MWLCHTKSSA-N 397.417 -0.228 5 20 GBBD CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826050894 HNTXRZICKYWHFM-QMMMGPOBSA-N 383.390 -0.223 5 20 GBBD C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1589889438 IESVKZVXEJHZRS-DTWKUNHWSA-N 384.374 -0.258 5 20 GBBD CNC(=O)CC(=O)N1CCCC12CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1841561050 LKFIJLJVEGOVPJ-UHFFFAOYSA-N 391.384 -0.049 5 20 GBBD O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 269194323 PVGUUFYRLCUSOT-CQSZACIVSA-N 398.441 -0.194 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 272556021 URDZRTUBZCHBOO-CYBMUJFWSA-N 382.398 -0.890 5 20 GBBD C[C@@H]1OCC[C@]1(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 279348782 CFUJTKUAGAPMLR-NHYWBVRUSA-N 387.414 -0.129 5 20 GBBD O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] 298765917 QLTVKJSUGMYCQT-UHFFFAOYSA-N 375.385 -0.044 5 20 GBBD COc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c([N+](=O)[O-])cc1OC 424249985 JABBLWYYRFEJSE-GFCCVEGCSA-N 388.354 -0.064 5 20 GBBD Cn1cc(S(=O)(=O)NCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cn1 484759403 PQYCTXRSIDLDQT-UHFFFAOYSA-N 379.354 -0.097 5 20 GBBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 499799953 MEXJGAIKXFMEKX-UHFFFAOYSA-N 389.368 -0.390 5 20 GBBD CNC(=O)c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 501248420 NSQYATAABPPDMY-LSDHHAIUSA-N 398.441 -0.766 5 20 GBBD C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(=O)NCCN(C)C 552310757 IQINZYZLKFLDGQ-NSHDSACASA-N 375.389 -0.028 5 20 GBBD NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 576715514 LXZJUYCUDMDZEX-KBPBESRZSA-N 396.425 -0.061 5 20 GBBD NC(=O)c1cc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1[N+](=O)[O-] 596089050 WGBOKXRKUOHXLZ-UHFFFAOYSA-N 389.368 -0.509 5 20 GBBD Cn1ccnc1COCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 597260694 GTFNNAITUQUUOA-UHFFFAOYSA-N 397.413 -0.060 5 20 GBBD COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 598004958 ABYSSBDDZKXSMH-TVQRCGJNSA-N 377.309 -0.363 5 20 GBBD NC(=O)CNC(=S)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 727066576 RIWYILSOWHGWOH-UHFFFAOYSA-N 387.443 -0.739 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 746316913 LEKSXQDFZCBKCH-UHFFFAOYSA-N 389.368 -0.390 5 20 GBBD C[C@@]1([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)NC(=O)NC1=O 820613213 WSRSJQWEDYJLSV-AYVTZFPOSA-N 387.360 -0.016 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(Cc2cscn2)CC1 1347107145 ZTXSEMWVSHUBNP-UHFFFAOYSA-N 393.429 -0.292 5 20 GBBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CCC([C@@H](O)C(=O)O)CC1 1601515197 YHCWESAMTPEUPY-CQSZACIVSA-N 379.369 -0.062 5 20 GBBD CC1(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1603814387 JUKUFRDGQIHXLO-BXKDBHETSA-N 388.388 -0.029 5 20 GBBD CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789391670 UKCJDZOWCGYRJS-GVXVVHGQSA-N 393.400 -0.396 5 20 GBBD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1843350195 PPYLZWASQVUOLY-NSHDSACASA-N 387.400 -0.426 5 20 GBBD NC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 14845544 KZZQFPIZNZBIDH-UHFFFAOYSA-N 385.402 -0.514 5 20 GBBD CC[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)NC(=O)Cn1cc([N+](=O)[O-])cn1 264651618 GQQSADXWGDEQKY-SNVBAGLBSA-N 394.348 -0.393 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H]1CN3CCN1CC3)OCCO2 269479576 LENVWWCJIILDBS-NSHDSACASA-N 384.414 -0.356 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCCN1CCNC(=O)C1 270791611 AXHZYAXYYRUKPQ-UHFFFAOYSA-N 377.401 -0.347 5 20 GBBD COCCN1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1=O 272841246 GRJGYZWAWOZAPE-UHFFFAOYSA-N 378.385 -0.050 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424390169 JQUNBHIGYURAMV-SECBINFHSA-N 383.342 -0.142 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2c(O)nnc2C1 438450915 PTBHKNZCZSBGNZ-UHFFFAOYSA-N 396.385 -0.397 5 20 GBBD Cn1cnc(CCNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 446023480 FBEQWPWFGNPEQI-UHFFFAOYSA-N 397.417 -0.457 5 20 GBBD O=C1CNC(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 464398468 AVSFZGIUZLICES-UHFFFAOYSA-N 379.354 -0.027 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 468646033 BAWXVIMQJSVBKF-LBPRGKRZSA-N 378.341 -0.785 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)O1 470225792 GIQCGULBTFOGIX-GWCFXTLKSA-N 378.341 -0.531 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] 566493657 UQBBKLCWSUHTOK-MRVPVSSYSA-N 375.338 -0.327 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 580875196 KOULZBLFEVZTNI-LBPRGKRZSA-N 394.432 -0.248 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)c1cnc[nH]1 585230541 UIZAFSCFSSFGEW-UHFFFAOYSA-N 375.388 -0.425 5 20 GBBD CC(C)[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N[C@H]1CCS(=O)(=O)C1 766964915 UVYVRMYZDLAFFE-CABZTGNLSA-N 388.402 -0.187 5 20 GBBD CC(C)S(=O)(=O)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 813891007 DKZFRVOVDXPUQS-UHFFFAOYSA-N 379.416 -0.205 5 20 GBBD O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 842277641 NDCGMTYPRZWTMP-HNNXBMFYSA-N 377.401 -0.652 5 20 GBBD COCC(COC)S(=O)(=O)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 851500040 DPBWVGSHADOTAD-UHFFFAOYSA-N 378.407 -0.094 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1 1116498491 TYQUBKARLMQKJO-OAHLLOKOSA-N 387.462 -0.653 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1261324102 XGIBXTJLWPHKRK-GFCCVEGCSA-N 390.400 -0.673 5 20 GBBD CCN(CC)C(=O)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1324315367 DZPHUWDSMYHQEP-UHFFFAOYSA-N 395.420 -0.487 5 20 GBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)c1ccc([N+](=O)[O-])[nH]1 1780231092 WWNVRZDBUUDSAB-BDJLRTHQSA-N 382.373 -0.639 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ncc[nH]1 1794502820 JGBUOSPVCVVKGU-DOFRTFSJSA-N 375.345 -0.442 5 20 GBBD O=C(CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCS(=O)(=O)C1 43059688 ANXXVHTYRVJVDB-SECBINFHSA-N 395.397 -0.106 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CCN2C1=O 271111477 NNYKJEZFDBWLPQ-LBPRGKRZSA-N 382.398 -0.890 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C2 276284836 SEYHOAGRKXSENE-UHFFFAOYSA-N 389.372 -0.721 5 20 GBBD CCn1c(C)nc([N+](=O)[O-])c1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 288035497 ATRZNGSPXSACNT-UHFFFAOYSA-N 378.393 -0.414 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 298953094 NWDPAZRPIGKXIH-UHFFFAOYSA-N 376.366 -0.036 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 368983517 JPLSDHXPLJVXIK-GXTWGEPZSA-N 399.425 -0.412 5 20 GBBD COc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 430198482 YRCJZZGQWKSPCM-GJZGRUSLSA-N 385.442 -0.121 5 20 GBBD NC(=O)c1cccc(N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 439107500 MBRYEQXRWHLZFW-UHFFFAOYSA-N 377.401 -0.326 5 20 GBBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CN(C)NC1=O 450612991 LRCBGSWHKXALSM-STQMWFEESA-N 395.441 -0.092 5 20 GBBD Cn1nccc1[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)O 592469129 IBSIXKVFUOKQFK-HNNXBMFYSA-N 389.324 -0.004 5 20 GBBD CC(C)(C)OC(=O)CN1CC[C@H](n2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1=O 594888722 CHIHRPSOFMDEKR-NSHDSACASA-N 380.357 -0.030 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N3C[C@H](O)[C@@H](O)C3)cc2[N+](=O)[O-])CC1 600216743 DMGXGQJZINAKSJ-HOTGVXAUSA-N 378.385 -0.559 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 735345150 RLBXHVBFNFLMAB-UHFFFAOYSA-N 394.340 -0.312 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 757321417 WFBFXRMWUUIMGR-UHFFFAOYSA-N 377.375 -0.079 5 20 GBBD COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1784259334 FJZMHYUNIWVCEI-HNNXBMFYSA-N 396.360 -0.883 5 20 GBBD O=C(C(O)O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829159177 TVOMDDVOFFFJTM-NSHDSACASA-N 381.389 -0.138 5 20 GBBD CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 269488845 ZHLOLEBHYPMRLL-SMDDNHRTSA-N 399.381 -0.080 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 273421067 DJWXTZVQHYKBIN-VIFPVBQESA-N 396.422 -0.072 5 20 GBBD COC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)O 276686560 CFQBRGHYNHYOJV-ZANVPECISA-N 389.386 -0.746 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 282898079 LJPFIURQIFBNQM-UHFFFAOYSA-N 399.429 -0.759 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)OC 364988617 GCKPCKMXNQKSCV-KOLCDFICSA-N 388.354 -0.322 5 20 GBBD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)OCCn1cnc([N+](=O)[O-])n1 749077650 XSVHZEHGMNGLGP-CNVPUSNMSA-N 379.329 -0.718 5 20 GBBD CCNS(=O)(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 801153460 IANGBQWXDIYQKE-UHFFFAOYSA-N 379.416 -0.333 5 20 GBBD O=C(NC[C@H]1COCCN1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 861801646 VQXXCWDTUKWLER-ZDUSSCGKSA-N 377.401 -0.652 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 1117605164 WAYHRBFXCXAKJY-GFCCVEGCSA-N 392.416 -0.043 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ncccc2F)CC1 1323669172 REQVPFTWFCRRCW-UHFFFAOYSA-N 391.363 -0.210 5 20 GBBD CN(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 1591012320 MMGAKRQXKWRMQE-UHFFFAOYSA-N 375.393 -0.433 5 20 GBBD CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419378 MAQNQHWVHUAIAG-MRXNPFEDSA-N 379.373 -0.498 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788120108 JDKUJWSWQYMJJJ-HNRZYHPDSA-N 393.400 -0.318 5 20 GBBD COCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000115 ZFHQPALJCHSPQR-FVCICTRLSA-N 395.416 -0.193 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)[C@@H]1C=CCN1 1796307313 DUBLLGJGDIIXLF-OXIQGZBJSA-N 376.369 -0.081 5 20 GBBD CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1842778140 MZJYSTRWGNHZFU-UHFFFAOYSA-N 385.402 -0.961 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)CCn2cncn2)C1 1846545170 BQRDWEFRUISNQQ-UHFFFAOYSA-N 388.388 -0.324 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NCCN2CCCS2(=O)=O)cc([N+](=O)[O-])c1 147511509 YFGWENGIFCRAPE-UHFFFAOYSA-N 391.427 -0.236 5 20 GBBD COC(=O)[C@@H]1COCCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 273048368 JCBHOMKDBMWVRZ-LBPRGKRZSA-N 381.341 -0.266 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 274080140 QQAWVTCHPYQGKK-NSHDSACASA-N 378.384 -0.445 5 20 GBBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 274649668 DHDMWUQPPFTYKW-OLZOCXBDSA-N 385.398 -0.784 5 20 GBBD COc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] 298739903 QIRFQCSUALEVSQ-UHFFFAOYSA-N 375.345 -0.426 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCC(=O)N2CCNCC2)cc1OC 562973467 ILEZXGXULMPQPB-UHFFFAOYSA-N 396.400 -0.210 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@]1(O)CN2CCC1CC2 570411745 RSDPXXKFYVXKTN-GOSISDBHSA-N 388.380 -0.236 5 20 GBBD CCCc1[nH]nc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1[N+](=O)[O-] 583203051 IYVWUKZJSIHMFT-UHFFFAOYSA-N 386.434 -0.670 5 20 GBBD C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 585718999 AYXRIDJPGITZEH-CYBMUJFWSA-N 394.432 -0.208 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 588830156 AUXGJTFHRSZNRQ-LBPRGKRZSA-N 381.341 -0.179 5 20 GBBD Cc1cn(C)nc1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 594993537 BKSBDHFAGBBANR-UHFFFAOYSA-N 395.397 0.165 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 596078351 WVJDHSMQFDAXLT-SECBINFHSA-N 378.432 -0.240 5 20 GBBD NC(=O)C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 600679445 KHQGJFWJQWSREV-ZDUSSCGKSA-N 379.373 -0.503 5 20 GBBD Cn1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 609942866 KREIZJNIOGBPMM-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD CN(C)S(=O)(=O)c1ccc(NC[C@@]2(O)CCS(=O)(=O)C2)c([N+](=O)[O-])c1 856761634 VNJABNGVMDCDLD-ZDUSSCGKSA-N 393.443 -0.193 5 20 GBBD CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1256993944 WRZXCDQKJNBTPS-LBPRGKRZSA-N 384.414 -0.249 5 20 GBBD CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1800537559 UXXJYCHOMLUTTI-DRXBFXEBSA-N 394.384 -0.083 5 20 GBBD Cc1c(C(=O)N2CCN(S(N)(=O)=O)CC2)nnn1-c1cccc([N+](=O)[O-])c1 264647367 FQISVMXSVLYFFB-UHFFFAOYSA-N 395.401 -0.555 5 20 GBBD COC(=O)Cn1cc(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)nn1 441979730 HWFDOJFUBQPTEF-UHFFFAOYSA-N 386.328 -0.130 5 20 GBBD CCN1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 455395463 ALSVMBOCWRNNOX-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 474480927 VTBRCRGAWLQULM-ZDUSSCGKSA-N 384.414 -0.135 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 501107865 RVNVNKZUMGBTMQ-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN(C(=O)CO)CC2)c([N+](=O)[O-])c1 502166097 HPJDSAAAWDPQNC-UHFFFAOYSA-N 380.357 -0.862 5 20 GBBD O=C(NC[C@@H]1CCCCN1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 591418753 LDIBAQROSXCKPQ-ZDUSSCGKSA-N 376.417 -0.103 5 20 GBBD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 597555128 ZTPBETOZBNCEII-CWSCBRNRSA-N 382.398 -0.032 5 20 GBBD COC(=O)[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2nn[nH]n2)cc1 736898247 JEMZXOFXTQKLOK-LLVKDONJSA-N 388.300 -0.176 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1nc2n(c1-c1nn[nH]n1)CCS2 737987099 RBMGLQOVUYUCFE-UHFFFAOYSA-N 389.357 -0.123 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)NC[C@H](O)C(=O)NC)cc([N+](=O)[O-])c1C 809837688 FYZQAFKSGGSXKL-LBPRGKRZSA-N 389.386 -0.535 5 20 GBBD CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)Cn1ccc([N+](=O)[O-])n1 825929262 DTRUTDYFNWSQAJ-UHFFFAOYSA-N 375.353 -0.632 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784712132 LYEPJDNYFJPQCM-DYVFJYSZSA-N 393.400 -0.342 5 20 GBBD C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1799284317 CEZJJMCUIFVGNN-DYNIEEOBSA-N 380.357 -0.475 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810631330 GBVFMBYMKYNKLI-ZWNOBZJWSA-N 390.356 -0.657 5 20 GBBD NC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 1820298249 LJUKHTMYKYPNEV-BQBZGAKWSA-N 394.417 -0.714 5 20 GBBD Cn1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 57484557 JKTFYGLIHNKPKS-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD O=C([C@H]1CNCCO1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262635304 OFVRSVNXEFXEJV-CQSZACIVSA-N 384.414 -0.584 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 273472283 KMIKEAUBAPZBET-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD C[C@@H](O)C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 283555326 VJLHBIUOADVZTF-NEPJUHHUSA-N 387.414 -0.129 5 20 GBBD Cc1[nH]c(=NC[C@@H]2CCCC(=O)N2)[nH]c(=NC[C@H]2CCCC(=O)N2)c1[N+](=O)[O-] 432926323 FJMVPUNBXGJIRZ-NEPJUHHUSA-N 391.432 -0.302 5 20 GBBD Cc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1[N+](=O)[O-] 437265768 IYTYIMRHXJLERH-UHFFFAOYSA-N 380.401 -0.005 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 572048314 JUSJDXMQWHWCQO-UHFFFAOYSA-N 386.386 -0.018 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 595130761 YEQBWRADZDGZSU-JQWIXIFHSA-N 387.370 -0.530 5 20 GBBD O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 597410186 NTEMDVJBGHIBAP-NOHGZBONSA-N 385.398 -0.642 5 20 GBBD CS(=O)(=O)N1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 726585137 NEWLKTLJJXZDLI-UHFFFAOYSA-N 397.413 -0.102 5 20 GBBD O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 730523435 AFQFLPWBPDHMCP-UHFFFAOYSA-N 384.356 -0.277 5 20 GBBD Cn1c(=O)c2nc(COC(=O)CCn3cc([N+](=O)[O-])cn3)[nH]c2n(C)c1=O 785259256 GBBBEYZXPPBSFN-UHFFFAOYSA-N 377.317 -0.802 5 20 GBBD COc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCN(C)S2(=O)=O)c([N+](=O)[O-])c1 842677729 HAOBCOIYYKNYCL-NSHDSACASA-N 393.399 -0.558 5 20 GBBD O=C(O)[C@@H]1[C@@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1610732576 FWJHFYKULQDABV-NHYWBVRUSA-N 379.325 -0.243 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)c1ncc[nH]1 1785782937 NNDPIBUIPHKTGK-NHCYSSNCSA-N 389.372 -0.052 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 19284555 OZHLPWVDJULMGX-UHFFFAOYSA-N 392.324 -0.377 5 20 GBBD CNC(=O)CCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264914902 ODODDUUUTSVHJY-UHFFFAOYSA-N 387.418 -0.313 5 20 GBBD O=C(NCC1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 276323946 PHLVMPCNHULZGY-UHFFFAOYSA-N 396.425 -0.046 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 325483411 LQUBIDCYHKLTRJ-JTQLQIEISA-N 378.384 -0.143 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1CN(S(C)(=O)=O)C1 428888337 ZWFFUNDKPLSYIF-LLVKDONJSA-N 388.450 -0.165 5 20 GBBD Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)Cn1ccc([N+](=O)[O-])n1 501998941 LIRNMXBVVJTSFA-UHFFFAOYSA-N 390.403 -0.643 5 20 GBBD O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 512713941 JXYNTFPLVBDXCE-UHFFFAOYSA-N 388.406 -0.911 5 20 GBBD NC(=O)c1ccnc(N2CCN(S(=O)(=O)c3cccnc3)CC2)c1[N+](=O)[O-] 565806701 IOHVWEPFUOIQPP-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H](C)CN1 568869456 IEPHMOJJPRMODL-CHWSQXEVSA-N 376.417 -0.153 5 20 GBBD CNc1nccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1[N+](=O)[O-] 578335053 ALIPVIXDHAZCTM-CYBMUJFWSA-N 376.417 0.410 5 20 GBBD C[C@@H](NC(=O)COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(=O)N(C)C 731525972 MQUHRAMRSPFOMR-SNVBAGLBSA-N 390.356 -0.075 5 20 GBBD O=C(NC[C@H]1COCO1)c1ccc(C(=O)NC[C@@H]2COCO2)c([N+](=O)[O-])c1 861979519 WPTCKIQZOUTDPV-NWDGAFQWSA-N 381.341 -0.200 5 20 GBBD O=C1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)N1 1848161689 BKCCBNQAYVWMGI-AVGNSLFASA-N 376.373 -0.728 5 20 GBBD Cn1nncc1CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 287334736 WGOKCFVIWSZBDM-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD C[C@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 289977988 RMTUXLAKFZPNIC-SCRDCRAPSA-N 399.425 -0.034 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O 442279396 VEHJKUADNSBXIC-NSHDSACASA-N 380.357 -0.359 5 20 GBBD Cn1cc(C(N)=O)cc1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 446022876 WXOWFLTZOHXVES-UHFFFAOYSA-N 395.397 -0.260 5 20 GBBD COC(=O)COc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 475699413 HMOTYZRUJBTYIN-GFCCVEGCSA-N 392.368 -0.711 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] 519000369 CBSCKUYELRLNBS-OLZOCXBDSA-N 375.385 -0.597 5 20 GBBD COC(=O)c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)c1[N+](=O)[O-] 596052189 UEXRRYZEULKDKT-UHFFFAOYSA-N 379.421 -0.325 5 20 GBBD COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 600326032 IURMTPNGXYXOPG-QWRGUYRKSA-N 381.341 -0.290 5 20 GBBD CS(=O)(=O)NC1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 603930955 OSZXDGKSZYLIAU-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 747803212 UHGONGBQUAXFJD-UHFFFAOYSA-N 391.344 -0.049 5 20 GBBD Cn1cnn(CC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1=O 765580898 DLNIQICBISDWMC-UHFFFAOYSA-N 375.750 -0.352 5 20 GBBD CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 809838356 WEXOSZIIAKDWHV-VIFPVBQESA-N 382.192 -0.258 5 20 GBBD O=C(c1cnccn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382901 HMDHMILZJQUSGW-MRXNPFEDSA-N 387.356 -0.135 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1782966092 BUAHQKZLTDNGKW-QGZVFWFLSA-N 397.359 -0.583 5 20 GBBD CCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477270 LIAHEWNNUWJGNF-SRVKXCTJSA-N 381.389 -0.052 5 20 GBBD NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798747867 SWJKMQXJTPAEEM-KEODLESXSA-N 379.373 -0.608 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)N1 1842735564 IHZIGBJHFLPCIX-LBPRGKRZSA-N 376.373 -0.727 5 20 GBBD O=C(/C=C\C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)NC1CC1 1844177178 SSUGEHHYKPJNIO-PLNGDYQASA-N 388.384 -0.030 5 20 GBBD Nc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] 267290222 ZHQFXJDGTXDIDN-AAEUAGOBSA-N 384.414 -0.595 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCCC(=O)N1CCN(c2ccccn2)CC1 498756321 XAQXKHJKISHXLH-UHFFFAOYSA-N 388.388 -0.564 5 20 GBBD O=C(CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1)NCc1ccccc1 511853800 MAACLTKTTHWRFK-UHFFFAOYSA-N 387.400 -0.353 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 600350235 YEYMFMZOENMELY-UHFFFAOYSA-N 377.400 -0.628 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 603555148 KVKOKCZNCDAICD-CQSZACIVSA-N 388.446 -0.242 5 20 GBBD O=C(c1n[nH]c(O)n1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 604146440 XTVNHBXHSCTNGH-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD CS(=O)(=O)NC1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 612654890 SBFYPOLCMXIAGM-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD NC(=O)NCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 736108046 SJPCJDZUTBUPOL-ZDUSSCGKSA-N 399.429 -0.078 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2N)CC1 758959025 YYLXTJNHSBRIKG-UHFFFAOYSA-N 393.400 -0.434 5 20 GBBD C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 788621619 RYSBFHGJUBHUIF-GXFFZTMASA-N 398.397 -0.075 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 817919286 PLTLKUJIZPUQTO-CJNGLKHVSA-N 391.428 -0.182 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 918191069 HCFQEQAHJXSQMB-SECBINFHSA-N 375.334 -0.214 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 1322714690 YZGTXADNYBNTEB-ZDUSSCGKSA-N 381.341 -0.510 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1592966896 FYHUJLOFQSVWPH-UHFFFAOYSA-N 386.372 -0.298 5 20 GBBD O=C(Cn1ccnc1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383830 TZKWJUQKOMLYJL-INIZCTEOSA-N 389.372 -0.342 5 20 GBBD NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801663636 KFVXKPPCWALHTQ-ZSBIGDGJSA-N 378.389 -0.305 5 20 GBBD CS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999185 BUXJDBQFWHNABS-UHFFFAOYSA-N 385.402 -0.961 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)[C@H](C)NC=O)C3)n1 1843586564 PJGZUMQBGXGXOO-NSHDSACASA-N 391.384 -0.050 5 20 GBBD C[C@@H](C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)n1cncn1 1846597899 DJSQBDSJZRBRDX-LBPRGKRZSA-N 388.388 -0.153 5 20 GBBD CN(C)C(=O)CNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 43714951 XZKUYJBOQKHDDX-UHFFFAOYSA-N 387.418 -0.202 5 20 GBBD CN(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 267972959 VLSWHZZJIYOZAN-UHFFFAOYSA-N 386.430 -0.648 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 274919430 MLLLEJJHPVBWKR-GFCCVEGCSA-N 392.411 -0.303 5 20 GBBD CS(=O)(=O)CCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 299121752 HOJAKQCHOBBWLV-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 365956492 SENZVJMXDWRDNM-UHFFFAOYSA-N 395.463 -0.303 5 20 GBBD Cc1[nH]c(=NC[C@H]2CCCC(=O)N2)[nH]c(=NC[C@@H]2CCCC(=O)N2)c1[N+](=O)[O-] 432926324 FJMVPUNBXGJIRZ-NWDGAFQWSA-N 391.432 -0.302 5 20 GBBD Cn1cc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(=O)n(C)c1=O 447160698 QVHVQNITZMPZNB-UHFFFAOYSA-N 380.382 -0.261 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(S(N)(=O)=O)CC1 469418283 OYTYBOKLCFNUKT-JTQLQIEISA-N 389.438 -0.825 5 20 GBBD CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)NC1=O 502569626 MMLDWSCJXUOEJD-GFCCVEGCSA-N 377.357 -0.342 5 20 GBBD O=C(NCC(=O)N1CCNCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 565764180 WQVBBSNJZRHDDR-UHFFFAOYSA-N 389.412 -0.366 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 589112524 LWRKVRGBPCUDMD-SECBINFHSA-N 378.432 -0.064 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 746236872 MRYLQOZMLSUPDQ-ZJUUUORDSA-N 379.381 -0.060 5 20 GBBD O=C(NCc1ncccn1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1335857603 HBVZQXWVGKMMIP-UHFFFAOYSA-N 398.379 -0.014 5 20 GBBD CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C[C@@H]21 1588850246 XUKUTFIULVSBKU-HBYGRHMLSA-N 386.372 -0.538 5 20 GBBD Cn1nncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382845 KURVPLYDMDNFDK-HNNXBMFYSA-N 390.360 -0.796 5 20 GBBD CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477084 HXDOTGPTEFIJGQ-SRVKXCTJSA-N 380.405 -0.527 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846032562 LZWAYEIWUWSKRC-UHFFFAOYSA-N 396.400 -0.709 5 20 GBBD CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N[C@@H]1CCS(=O)(=O)C1 45807293 WURNUVWDKGPSHQ-LLVKDONJSA-N 384.414 -0.232 5 20 GBBD Cn1c(=O)c(C(=O)Cn2cnc([N+](=O)[O-])n2)c(N)n(Cc2ccccc2)c1=O 53834887 BNQIWMKHNIMMCH-UHFFFAOYSA-N 385.340 -0.440 5 20 GBBD CN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 265846395 YJPXAARJAYYRFP-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD Cc1c(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 266830744 KCPPDCQWIYSKRV-LBPRGKRZSA-N 396.381 -0.430 5 20 GBBD CN1CCC(O)(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 267135946 PTUGXDZKTQMLOZ-UHFFFAOYSA-N 376.369 -0.236 5 20 GBBD Cn1nnnc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 276743910 VHAAQETZNOUXTG-LBPRGKRZSA-N 395.401 -0.412 5 20 GBBD COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 298143299 PKSOFUOWOWSJIN-SNVBAGLBSA-N 397.340 -0.446 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN1C(N)=O 421974253 DGFPSMAHOXEVHO-ZDUSSCGKSA-N 399.429 -0.125 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 468498390 OQCXXTGOGLKDTB-UHFFFAOYSA-N 395.397 -0.041 5 20 GBBD COCCN(CCO)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 539328484 SVJMXZGPYQYSNU-UHFFFAOYSA-N 375.403 -0.270 5 20 GBBD CN(C)C(=O)COC1CN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 565981784 PBIAGRSKRYXUIU-UHFFFAOYSA-N 387.370 -0.229 5 20 GBBD CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 566315573 RHQOULQEDFFCNW-SNVBAGLBSA-N 391.427 -0.238 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NC[C@H]3CNCCO3)cc2[N+](=O)[O-])CC1 576937224 WBMUZEZBXKVQSW-OAHLLOKOSA-N 391.428 -0.019 5 20 GBBD CO[C@@](C)(CO)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 594215027 LCYIDLLWOSCEAS-CQSZACIVSA-N 390.418 -0.430 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CC(NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 599148947 RWYJMPKLWGGPJD-UHFFFAOYSA-N 378.432 -0.417 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 599429061 CZQXMHAWCZVQPW-RKDXNWHRSA-N 381.436 -0.533 5 20 GBBD O=C(c1n[nH]c(O)n1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 604145225 JCCKPJLYGPQZAO-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 797284708 MGHPZPVYPNMBPG-ZETCQYMHSA-N 394.383 -0.381 5 20 GBBD C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824450549 XTPQOVUGYSWZKE-SSDOTTSWSA-N 390.403 -0.514 5 20 GBBD Cc1c(-c2nn[nH]n2)c(=O)n(Cc2cc(F)ccc2[N+](=O)[O-])c(=O)n1CCO 1591795421 RCYHWMSHOBMPIE-UHFFFAOYSA-N 391.319 -0.414 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c1 1607079896 NXIKGIJLHFIMLO-LLVKDONJSA-N 394.417 -0.947 5 20 GBBD CC(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1784185731 OOCQXCLNCUIRCF-TZQJONAQSA-N 395.416 -0.072 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cnc[nH]1 1794712554 VTQACBDUXIYLNZ-DOFRTFSJSA-N 375.345 -0.442 5 20 GBBD O=C(c1cnc(O)[nH]1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000071 XKVXBJROUSXUAF-UHFFFAOYSA-N 375.345 -0.263 5 20 GBBD Cc1nc(CC(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)no1 1842028093 PUGLIZVFCJIHHE-UHFFFAOYSA-N 389.372 -0.071 5 20 GBBD COCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 273015070 RWHUGNJCPLXWEV-YPMHNXCESA-N 387.414 -0.177 5 20 GBBD O=C(CCN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F 275667654 WWOYOLBINHIIRI-NSHDSACASA-N 379.348 -0.295 5 20 GBBD COC(=O)c1cnc(N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])c1 276565592 MJXPINNZDHCUFM-UHFFFAOYSA-N 376.333 -0.888 5 20 GBBD CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 293812019 PXWMOCBGAJFPRG-CYBMUJFWSA-N 384.414 -0.183 5 20 GBBD C[C@@H]1NC(=O)N(CCN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 420970025 DSBJWJYPSKSVQB-NSHDSACASA-N 399.429 -0.255 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCOCCS(N)(=O)=O)c1 451530495 PRDDNOKNWZEFIT-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD C[C@@H]1CO[C@H](CO)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 492513398 VOODNUPULRLUKH-YPMHNXCESA-N 387.414 -0.177 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 512136016 OZVHMMAFKUCJKR-GXFFZTMASA-N 385.398 -0.357 5 20 GBBD C[C@H](NS(C)(=O)=O)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 550107033 MFBRQVQQRYRWAV-VIFPVBQESA-N 382.402 0.004 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)Cn1ccnn1 582431337 AIBHFVIOQFNEIY-SNVBAGLBSA-N 385.358 -0.688 5 20 GBBD O=C(NCC(=O)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21)c1cccc([N+](=O)[O-])c1 590541080 BWCWLDXUOAOKIN-DGHYXXHJSA-N 387.392 -0.088 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 596127152 TYFOWKGPJPHZED-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD Cc1cc(C(=O)N2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])[C@H](C)C2)n[nH]1 599324392 PYJOMJIKUVCZMF-SNVBAGLBSA-N 397.417 -0.105 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)n1 600660387 UJONCJGOGGCWFW-QMMMGPOBSA-N 385.362 -0.356 5 20 GBBD O=C1COc2cc([N+](=O)[O-])c(NCCS(=O)(=O)N3CCOCC3)cc2N1 761886682 OPZUSCPSNJNTJT-UHFFFAOYSA-N 386.386 0.000 5 20 GBBD NS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 772225950 JAGVQDHFTLLDCM-HNNXBMFYSA-N 397.457 -0.394 5 20 GBBD O=[N+]([O-])c1c(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2ccccn12 778580742 HSDABGUZJHSFOT-RYUDHWBXSA-N 381.414 -0.478 5 20 GBBD C[C@H](CNC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)S(N)(=O)=O 827636627 WKQIPTBGEFLDDT-SSDOTTSWSA-N 392.340 -0.174 5 20 GBBD O=C(C(=O)N(CCO)C1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1330956963 FRTQOBVAFKYZOK-UHFFFAOYSA-N 396.425 -0.076 5 20 GBBD Cc1nn(C)c(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1-c1nn[nH]n1 1592432535 QEGKKGXBMFAHOI-UHFFFAOYSA-N 387.408 -0.164 5 20 GBBD CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)O)C1 1598607625 RKECCLNFIAQRGL-CYBMUJFWSA-N 393.400 -0.131 5 20 GBBD C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835518928 OSGCZRULNJNVGA-PXAZEXFGSA-N 396.400 -0.147 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c(C)c1[N+](=O)[O-] 277298953 RPVJNHFEUQQFQA-ZETCQYMHSA-N 390.330 -0.273 5 20 GBBD NC(=O)[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 280285067 WTBFPKXVRMUCAT-MNOVXSKESA-N 386.386 -0.978 5 20 GBBD CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)Cn1cnc([N+](=O)[O-])n1 473007023 FRIIULNJSFKQBY-AAEUAGOBSA-N 380.384 -0.009 5 20 GBBD NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 597752832 JKWJWZJCGABJEK-GFCCVEGCSA-N 398.445 -0.446 5 20 GBBD NC(=O)C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 600679482 KSPKWRCKQZEREN-WDEREUQCSA-N 380.357 -0.105 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 610410928 YSYHFGVYNPOYNT-VIFPVBQESA-N 378.432 -0.253 5 20 GBBD O=C(O)C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 739635482 RFIBVYJWDKKNPK-SNVBAGLBSA-N 398.759 -0.220 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NCCS(C)(=O)=O)c(C)c([N+](=O)[O-])c1 753835209 VYPPXSBOQFFLCM-UHFFFAOYSA-N 387.370 -0.211 5 20 GBBD NC(=O)N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 762577824 SMXDOMHPOLPKAZ-LLVKDONJSA-N 399.429 -0.137 5 20 GBBD CCN(C(=O)[C@@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 772059906 RCORDSHIKPCHCM-NXEZZACHSA-N 388.402 -0.091 5 20 GBBD Cc1nn(C)c(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c1[N+](=O)[O-] 785232961 PSJQUUNZDPZCDF-UHFFFAOYSA-N 377.317 -0.733 5 20 GBBD CN(C)C(=O)CCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 821575911 VDMJPUYSRQHWLS-UHFFFAOYSA-N 375.393 -0.230 5 20 GBBD CC(=O)c1cn(CC(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 861405591 PEXAUORGAZCWSA-UHFFFAOYSA-N 397.369 -0.401 5 20 GBBD CN(C)S(=O)(=O)N1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 914567722 HQMVKRGCASINNA-UHFFFAOYSA-N 397.413 -0.428 5 20 GBBD CN(CCOCc1cnn[nH]1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 1576838482 DORHTVPRTDUQDR-UHFFFAOYSA-N 384.374 -0.351 5 20 GBBD O=C(CN1CCOCC1)NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1592868557 NBSMMHVGKUIANV-UHFFFAOYSA-N 376.377 -0.365 5 20 GBBD CN(C)C(=O)COC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)C1 1598130267 CNJUIFXDVYSONQ-UHFFFAOYSA-N 387.370 -0.229 5 20 GBBD C/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508138 MBPJTRFNOKKHRI-KZSQQDEKSA-N 379.373 -0.036 5 20 GBBD O=C(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O)C1CC1 1847519411 OVLWHZZOCRKTBJ-STQMWFEESA-N 388.380 -0.063 5 20 GBBD CCCc1[nH]nc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 265714377 WMTXZPOEZYPUSH-GFCCVEGCSA-N 394.432 -0.067 5 20 GBBD Cc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] 299703642 YRPBJVTYXZMKRZ-GJZGRUSLSA-N 383.426 -0.181 5 20 GBBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1 350909427 WSGNXVBFGDYUBI-UHFFFAOYSA-N 384.312 -0.009 5 20 GBBD Cc1nn(CCC(=O)NCCCn2c(=O)ccn(C)c2=O)c(C)c1[N+](=O)[O-] 468174390 QSKIBISJJLZHHN-UHFFFAOYSA-N 378.389 -0.135 5 20 GBBD COC(=O)c1cnc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 477724771 PWLYJKSNPVOYDU-JTQLQIEISA-N 386.386 -0.484 5 20 GBBD C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 517040495 TZDMFUIEBXEDOR-VIFPVBQESA-N 387.418 -0.962 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CO)[C@H](O)C1 545281105 JAEDKSZPIFNKFN-SMDDNHRTSA-N 387.414 -0.535 5 20 GBBD O=C(O)[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 590645333 SBYWJZBIGRYCFS-GFCCVEGCSA-N 387.370 -0.425 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N=c1cc[nH]cc1-c1nn[nH]n1 737876760 HIYVIZMLJOIHNW-UHFFFAOYSA-N 394.307 -0.174 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 780070448 XZTBYFSNMLTVRU-UHFFFAOYSA-N 394.384 -0.310 5 20 GBBD O=C(NCC(=O)OCCN1CCOCC1=O)NCc1ccc([N+](=O)[O-])cc1 785310823 HHXUCEPCZCJYLQ-UHFFFAOYSA-N 380.357 -0.204 5 20 GBBD O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(S(=O)(=O)N2CCOCC2)c1 845563797 IYRGQTVSUYAWCL-BXUZGUMPSA-N 387.414 -0.595 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 859087641 OPHLSWRODLUJER-UHFFFAOYSA-N 398.376 -0.119 5 20 GBBD COC(=O)CN(C)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1320394148 LHVVQWGPZYRMST-UHFFFAOYSA-N 380.357 -0.459 5 20 GBBD O=C1CCCN1CC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1842831041 HLFJVLCMHFIXBN-UHFFFAOYSA-N 376.373 -0.243 5 20 GBBD C=CC(=O)N1CC(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 2088602714 YSHAMWKGUSOEBR-UHFFFAOYSA-N 396.425 -0.024 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 55975152 SLXQWYJGZXCBRJ-JTQLQIEISA-N 375.334 -0.214 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 267625539 FAZRGRMMUDFNLE-OAHLLOKOSA-N 390.400 -0.059 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCSC[C@@H]1C(N)=O 273530341 KJCRCBUJRSLREE-SNVBAGLBSA-N 389.411 -0.027 5 20 GBBD CNC(=O)[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 294659573 NVHGFDOBHGNPNE-GXFFZTMASA-N 384.414 -0.001 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCS(=O)(=O)N(C)C 420977455 VIPKVLCKOSLWEH-UHFFFAOYSA-N 394.475 -0.304 5 20 GBBD COCCn1c(N)c(C(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)c(O)nc1=O 471386450 ZUSVLZYBHCKDRJ-UHFFFAOYSA-N 379.329 -0.561 5 20 GBBD O=C(CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCNCC1 516866545 DOIFZWBHQPSAHY-UHFFFAOYSA-N 386.386 -0.924 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)C1 563954404 DVAGRFYNOFVZRW-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 568020490 XOFVQGAECHYUDA-NSHDSACASA-N 386.434 -0.259 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 592908665 PJVHCRBCHPFFIG-UWVGGRQHSA-N 391.336 -0.427 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 600228707 DDWKWQBRWKPDPG-ZDUSSCGKSA-N 393.400 -0.211 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCO[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] 600681176 GJHYEPDONWHMKQ-NSHDSACASA-N 380.357 -0.564 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 737166457 RAMFJPNLODCXBI-UHFFFAOYSA-N 397.421 -0.841 5 20 GBBD CN(CC(=O)OCc1nc(=O)n(C)[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 765479893 OCFDTSFTDVVGQR-UHFFFAOYSA-N 385.358 -0.620 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1117093461 PWHATGWHJMXGBA-ZDUSSCGKSA-N 384.414 -0.596 5 20 GBBD C[C@H](N)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1589912578 KDMMLNHWPJUANC-WPRPVWTQSA-N 383.390 -0.488 5 20 GBBD CCN(C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)[C@H]1CCS(=O)(=O)C1 1590667254 VTWFUBXEYCMHQY-BDAKNGLRSA-N 398.405 -0.432 5 20 GBBD CN(C[C@@H]1COCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591063983 HNWRFZTVIQRWHU-SECBINFHSA-N 384.374 -0.189 5 20 GBBD O=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)CN1 1783155936 FLOARYIZKHEFTN-PIGZYNQJSA-N 392.368 -0.233 5 20 GBBD C/C(=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)C(=O)O 1785416120 QBDGKRDKMSHCFF-CXSQMQJXSA-N 393.356 -0.208 5 20 GBBD CC(C)(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792915387 BVIDXZRSVGSMHB-QPPBUOOMSA-N 395.416 -0.072 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1794004571 CECFAQFGZKTNMR-PZJJNSSQSA-N 393.400 -0.848 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCC(C)(C)N2CCOCC2)c1=O 47369014 COJJPLJCFBKXGG-UHFFFAOYSA-N 396.400 -0.230 5 20 GBBD O=C(NCCOCCO)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 269486761 WYYBURTYYOUDMO-AWEZNQCLSA-N 387.414 -0.127 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 272828290 DTTZRLLBFSRNBQ-UHFFFAOYSA-N 393.400 -0.178 5 20 GBBD COCC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 288435932 SDGQFKWOYKXVRM-JTQLQIEISA-N 386.386 -0.170 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CCOCCN3)c([N+](=O)[O-])c2)CC1 289121241 MJZGCHBLMBIIGD-UHFFFAOYSA-N 385.446 -0.128 5 20 GBBD C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1 297385326 WOVDKFHNRPAITH-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD CCOc1ccc(NC(=O)CN2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 298079335 URDGUIBQYJNUKF-UHFFFAOYSA-N 387.418 -0.247 5 20 GBBD CO[C@H]1C[C@@H]2C(=O)N(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)N2C1 349337324 YOTXHPXNMFNQSQ-WCQYABFASA-N 398.397 -0.075 5 20 GBBD COC(=O)c1cn([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 368848110 UDOHDYZARVCMSI-DGCLKSJQSA-N 379.377 -0.133 5 20 GBBD COC(=O)Cn1cc(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)nn1 474506008 MWNZYVJUKCCTJH-UHFFFAOYSA-N 376.329 -0.595 5 20 GBBD CN(CC(=O)NCCCc1nc(O)n[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 480034416 AKSZLQJOUOSBSZ-UHFFFAOYSA-N 398.401 -0.212 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C[C@@H]12 489567674 HZNOGWHBWXLRIK-ZDUSSCGKSA-N 389.368 -0.192 5 20 GBBD O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc([N+](=O)[O-])[nH]1 522792398 ZCVXNTTZQPULLO-UHFFFAOYSA-N 387.418 -0.306 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596150334 AFRMINGWUSLBPW-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD O=C(O)CNC(=O)c1ccc(N2CCO[C@@H](Cn3cncn3)C2)c([N+](=O)[O-])c1 739812818 MSIBZAWQADZCLN-GFCCVEGCSA-N 390.356 -0.094 5 20 GBBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 748088953 IWUUUVAKPJLKMX-UHFFFAOYSA-N 397.406 -0.326 5 20 GBBD COc1cccc(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)c1[N+](=O)[O-] 813946587 DUXRAJXVMQVWQL-UHFFFAOYSA-N 386.386 -0.258 5 20 GBBD CC(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 918760274 UKVLOPIVAWTJRG-QMMMGPOBSA-N 384.320 -0.144 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1N1CCN2CCOC[C@@]2(CO)C1 1593468779 QKKORNQPSLWMCP-HNNXBMFYSA-N 379.352 -0.203 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(-c2nn[nH]n2)c1 1593486037 JMOGWSGWIDYDTK-SNVBAGLBSA-N 394.417 -0.521 5 20 GBBD O=C(O)CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 1602062992 GIBHXNOWKOOAEL-UHFFFAOYSA-N 378.341 -0.451 5 20 GBBD COc1cc(Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)c([N+](=O)[O-])cc1F 1605223220 VSAFSSWXQGPCII-UHFFFAOYSA-N 377.292 -0.169 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)cc1 1607083915 SDRZTKMJBOBBGJ-UHFFFAOYSA-N 376.358 -0.127 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784719197 DYMWUVDSVFXBSJ-ZBEGNZNMSA-N 379.373 -0.202 5 20 GBBD O=C1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)CN1 1792356965 QRPVXLSLBPDODM-ZVXAKGHKSA-N 392.368 -0.473 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 276305591 WHFNTOLKYDSSIM-UHFFFAOYSA-N 390.356 -0.597 5 20 GBBD CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 284633132 BWBSYDAZEVYGIR-UHFFFAOYSA-N 386.386 -0.818 5 20 GBBD CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 287491150 YEKCVPCBPGARBH-YPMHNXCESA-N 386.430 -0.019 5 20 GBBD O=C(O)CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420597268 JKKUBWZZESBMMD-UHFFFAOYSA-N 378.341 -0.530 5 20 GBBD C[C@H]1OCC[C@]1(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 447741428 KXQKBDYKUQTQPD-ABAIWWIYSA-N 387.414 -0.081 5 20 GBBD NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 482212504 PHVVGWQTTDUFNH-VHSXEESVSA-N 382.398 -0.026 5 20 GBBD C[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(N)(=O)=O 507703387 FVVSXLOJHNDQNU-SECBINFHSA-N 394.431 -0.992 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)O 548586647 ZTSPMAHQYQMAPP-XQHREBAHSA-N 378.384 -0.190 5 20 GBBD COCC(=O)N(C)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 575412035 JXVGNFNLLJSLJS-UHFFFAOYSA-N 376.373 0.171 5 20 GBBD COCc1n[nH]c(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 598055287 QIVZCAFXTWINIT-UHFFFAOYSA-N 398.401 -0.156 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 604497023 KMDHOHGJYDMXCG-UHFFFAOYSA-N 386.386 -0.143 5 20 GBBD CN(CCN1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1S(N)(=O)=O 610588233 PDULXIZVYRBMQY-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1(C(N)=O)CCOCC1 771741065 POQNQTLVKRKYFC-UHFFFAOYSA-N 381.341 -0.055 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 794629116 RPCPYEWKADGOEL-JTQLQIEISA-N 383.386 -0.008 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 917216812 GJWHYQSBLNGLHW-UHFFFAOYSA-N 393.400 -0.434 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)n1 1606246258 IRTPEMZEZQEGHN-NSHDSACASA-N 390.385 -0.046 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2)c1ccc([N+](=O)[O-])cc1F 1799489221 WCXWMSCBSOQHOA-YFKFIEJBSA-N 383.332 -0.752 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1842942418 BFPALPIGMMZHSO-SNVBAGLBSA-N 379.373 -0.402 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n(C)c1=O 16761202 UDXNLSVWLQWLHC-UHFFFAOYSA-N 384.352 -0.069 5 20 GBBD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 263952263 LEPOYMMYYCUSHD-AWEZNQCLSA-N 379.417 -0.185 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 267208037 NZXGCKAJVVQDPJ-HUUCEWRRSA-N 399.425 -0.481 5 20 GBBD COC[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 280192531 IVOUYPHXWJHMKI-GFCCVEGCSA-N 388.446 -0.050 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CCN2C1=O 363985217 IOWOMYYEOFMCCB-JTQLQIEISA-N 383.386 -0.285 5 20 GBBD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 366385571 XCSLUMQGRAKIJE-HNNXBMFYSA-N 394.388 -0.477 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)ccc1[N+](=O)[O-] 371702086 WTOUDGUWRONMGE-GFCCVEGCSA-N 375.345 -0.254 5 20 GBBD COC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)OC 416456939 NBOQCOAMESWBLJ-JTQLQIEISA-N 376.343 -0.152 5 20 GBBD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 460474989 HSNZDEPRMNAQII-SSDOTTSWSA-N 382.192 -0.258 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 468705306 DCWUHKAPQJHMFI-SECBINFHSA-N 375.341 -0.279 5 20 GBBD Cc1ccn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(=O)c1[N+](=O)[O-] 471375664 FXUBBXJWQQCTEG-ZDUSSCGKSA-N 398.441 -0.604 5 20 GBBD CC[C@H](C)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)NCCN1CCOCC1 520367014 BOKLIECDRUYCFE-GXTWGEPZSA-N 397.436 -0.834 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)O)c([N+](=O)[O-])c1 548258320 YULSEOIQMBVQBH-WYVULQQZSA-N 378.384 -0.190 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC(NS(C)(=O)=O)C1 619752423 ZGQQXZFZYFCQRS-UHFFFAOYSA-N 379.416 -0.038 5 20 GBBD O=C(NCCCO)C1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 1329491011 KTPMXDCNNARTGE-UHFFFAOYSA-N 394.432 -0.064 5 20 GBBD CC(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009004 XFBBMUSUOPRVFJ-IQOUGMIPSA-N 381.389 -0.462 5 20 GBBD Cn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])n1 1798010925 MAJIUDRJVORDBG-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1843349702 JFEBXRSLVIZHQH-AWEZNQCLSA-N 389.412 -0.367 5 20 GBBD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844384689 DFLCKYXIBMAHSX-LLVKDONJSA-N 394.388 -0.714 5 20 GBBD O=C(O)CSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848163545 FLDOUORBHMHCBL-RYUDHWBXSA-N 397.413 -0.189 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)C[C@@H]2CCCO2)cc1 263657257 GLADBEOJADXBEY-LBPRGKRZSA-N 393.443 -0.029 5 20 GBBD COC[C@@H](O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 265348806 ASIUUMFLQQNJEP-NSHDSACASA-N 376.391 -0.820 5 20 GBBD O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(C(=O)C(=O)N2CCOCC2)CC1 272760804 VMIJPRYCPKCILN-UHFFFAOYSA-N 392.372 -0.475 5 20 GBBD Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] 276902725 VYVBNXYXNGHBSI-LLVKDONJSA-N 382.398 -0.457 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1[N+](=O)[O-] 416375415 UBPXEVLSNYUPBP-UHFFFAOYSA-N 395.415 -0.401 5 20 GBBD CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 425787118 VEDOFJFLDADYNX-JTQLQIEISA-N 390.356 0.565 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCCN2C(=O)CCC2=O)cc1[N+](=O)[O-] 520314821 RTGWSOSGQREAEE-UHFFFAOYSA-N 392.368 -0.012 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 521158793 GNKWXJKNJIIOLI-CQSZACIVSA-N 399.473 -0.375 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594776644 IUDKNTMFYOHNHI-UHFFFAOYSA-N 393.447 -0.461 5 20 GBBD CN(CC(=O)N1CCCC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 598396273 JAMZEBJONBJGSH-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD NS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 599489218 SDVFIBYUEBCTMH-UHFFFAOYSA-N 378.432 -0.318 5 20 GBBD CN1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609161384 MVQCBBLOSIFCSC-UHFFFAOYSA-N 399.473 -0.373 5 20 GBBD O=C(N[C@H]1CCOC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655970 JWUZAYCEMFHQNN-LOWVWBTDSA-N 385.398 -0.376 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744049359 VWSBGLKLXPLMMN-JYILRKAJSA-N 378.341 -0.195 5 20 GBBD O=C1CC2(CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 1343895644 NMGJXFGMWOKPHL-UHFFFAOYSA-N 382.398 -0.246 5 20 GBBD COc1ccc(CNC(=O)C(=O)N2CCO[C@H](CC(=O)O)C2)cc1[N+](=O)[O-] 1599561771 GKPREXCQOAPSJQ-LLVKDONJSA-N 381.341 -0.078 5 20 GBBD Cc1nn[nH]c1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379353 JXXZTSCSMURAHP-HNNXBMFYSA-N 390.360 -0.498 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796850218 YQOMKPXVBZLRCZ-VLEAKVRGSA-N 393.404 -0.838 5 20 GBBD Cc1c(C(=O)N(C)CCN2CCOCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 265436851 XOMOPUXAKRDSJN-UHFFFAOYSA-N 386.430 -0.045 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 270883421 OTPMHSOVOJEUPW-NEPJUHHUSA-N 378.385 -0.235 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NC(C)(CO)CO)cc2[N+](=O)[O-])CC1 274944347 QECBPLQGOVCXHU-UHFFFAOYSA-N 380.401 -0.264 5 20 GBBD Cn1cnc2c1c(=O)n(Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)c(=O)n2C 291051835 IIQOOTJFXCATGQ-UHFFFAOYSA-N 377.361 -0.147 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 374848234 VAWCMTRBSUPUAB-VIFPVBQESA-N 387.356 -0.513 5 20 GBBD C[C@@H](CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)S(N)(=O)=O 437036042 JDJBTXVBGMORAQ-JTQLQIEISA-N 384.414 -0.121 5 20 GBBD CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472722798 IJGLIPFOQCLEOL-UHFFFAOYSA-N 391.381 -0.379 5 20 GBBD CCn1cc(S(=O)(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])n1 490072980 DJTJPVPAUPWISU-VIFPVBQESA-N 381.436 -0.534 5 20 GBBD CNc1nccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)c1[N+](=O)[O-] 594356644 HSISFWZEYINYDU-UHFFFAOYSA-N 394.432 -0.106 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 597709830 MQFQWONVRJWQRQ-NSHDSACASA-N 383.430 -0.039 5 20 GBBD O=C(COC(=O)[C@H]1CNC(=O)N1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 732359402 CRESTLLQGBAOHP-SECBINFHSA-N 380.313 -0.081 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788813599 PMFGHQXUTFCGDX-MNXVOIDGSA-N 393.400 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cccnn1 1798054889 NEWZNBAWNUVZRS-PEGIJTEDSA-N 387.356 -0.375 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)[C@@H]1C[C@H](O)CN1 1799137227 MOGIOLDTLMKUSP-ONQKKCPMSA-N 394.384 -0.886 5 20 GBBD CC(=O)NC(C)(C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841620612 QXDHSDUEMQRGHB-UHFFFAOYSA-N 392.416 -0.091 5 20 GBBD C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)N1CCOCC1 62885481 HATDEJZZJGNPCF-SNVBAGLBSA-N 378.341 -0.134 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCCS1(=O)=O 64297205 IFKBTVGVDMYMGM-UHFFFAOYSA-N 386.386 -0.306 5 20 GBBD NC(=O)[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 276577010 LARUWJRNXNPXRB-ZIAGYGMSSA-N 376.369 -0.088 5 20 GBBD CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 276937604 ULBNXHUARSLCBN-UHFFFAOYSA-N 378.341 -0.167 5 20 GBBD CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C1=O 281397327 YHIZSZITFCRILB-UHFFFAOYSA-N 384.414 -0.048 5 20 GBBD NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCN1 296444170 LFSTYQBCZINALM-LBPRGKRZSA-N 383.430 -0.357 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 363498013 BUOWIDXBMLSEFW-GXFFZTMASA-N 384.414 -0.137 5 20 GBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCN1CCS(=O)(=O)CC1 465134450 VYSBVRCUCJRSMW-UHFFFAOYSA-N 399.425 -0.245 5 20 GBBD O=C1NC[C@@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O 472358135 FNLMHTSPKIGVLC-CQSZACIVSA-N 389.412 -0.426 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC([C@H](O)C(=O)OC)CC2)c([N+](=O)[O-])n1 533174086 IIRRNTJOWWAWQJ-NSHDSACASA-N 376.391 -0.254 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c([N+](=O)[O-])n1 564484153 HHBYMPSEXQJCJD-SECBINFHSA-N 399.389 -0.175 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1327023518 PAACYQDNUBHJIS-LLVKDONJSA-N 378.389 -0.356 5 20 GBBD CCN(CC)C(=O)CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1335854769 WQKLEYOZFMSAAR-UHFFFAOYSA-N 380.405 -0.061 5 20 GBBD O=C(NCCCn1nc2n(c1=O)CCCC2)NCCn1cc([N+](=O)[O-])cn1 133749738 WMAZAVDJXOLVKW-UHFFFAOYSA-N 378.393 -0.125 5 20 GBBD CO[C@@H](CN)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262943375 USLOWLUBKUGHJR-GFCCVEGCSA-N 386.430 -0.209 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CCN(C)C(=O)C3)c([N+](=O)[O-])c2)CC1 265796975 AZDMDABOJXLKJP-UHFFFAOYSA-N 397.457 -0.191 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 266209143 XWUFSZCBQOGMMQ-UHFFFAOYSA-N 399.381 -0.632 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1O 269291017 USWJMFONFMPVEM-LBPRGKRZSA-N 378.385 -0.037 5 20 GBBD CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] 269376463 IGILCSNYUQDFCQ-UHFFFAOYSA-N 377.365 -0.588 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 269807149 VNFDCJUMSZAVMH-SCZZXKLOSA-N 388.354 -0.337 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 272155122 DHUOXXQWTFLQTG-VIFPVBQESA-N 386.361 -0.626 5 20 GBBD Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc([N+](=O)[O-])c1F 275184395 XBRGTMXAUPXZHI-SNVBAGLBSA-N 396.374 -0.085 5 20 GBBD CN(CCOCCO)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 282198638 MYQRGNSKVULYEZ-UHFFFAOYSA-N 390.418 -0.477 5 20 GBBD CN(CC(=O)N1CC[C@H](CC(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 377161915 JLMFWPHUOPULCD-LLVKDONJSA-N 384.414 -0.061 5 20 GBBD COc1ccc([N+](=O)[O-])c(CC(=O)N2CCN(S(N)(=O)=O)CC2)c1F 412127599 RYQLLCCLTKWRAI-UHFFFAOYSA-N 376.366 -0.367 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C[C@H](O)CN1CCOCC1 497049954 LXDKSLIRWCXDQN-UONOGXRCSA-N 398.464 -0.021 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CS(=O)(=O)CCO1 512161885 IBWPACWIOCQABO-SECBINFHSA-N 397.365 -0.879 5 20 GBBD CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCNC1=O 535480169 MOJCZLNTDINKGV-NSHDSACASA-N 385.402 -0.609 5 20 GBBD O=C(NC[C@H]1COCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 576844008 LKGTXGLTJLBAMY-ZDUSSCGKSA-N 379.373 -0.830 5 20 GBBD O=C(NCCCNC1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 577356792 MAIGZEYAGFFDKS-UHFFFAOYSA-N 376.417 -0.103 5 20 GBBD CO[C@@H]1COC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 584050573 ZUQLEICTHYPUQM-CHWSQXEVSA-N 388.402 -0.414 5 20 GBBD Cn1cnnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)CC1 594575920 IJVQFJMNUPNUDE-UHFFFAOYSA-N 396.385 -0.068 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 595242319 SNDJXPKFAVNIDX-KOLCDFICSA-N 381.776 -0.043 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2nccnc2-c2nn[nH]n2)c1 738370226 RVQGYXZWXOALDI-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)C[C@@H]1CCCO1 781498893 BYRWOALETDMHNI-NSHDSACASA-N 399.381 -0.055 5 20 GBBD COCC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826154187 KCGREWWTBHFVDC-ZDUSSCGKSA-N 386.390 -0.159 5 20 GBBD NC(=O)[C@]1(NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CCOC1 848318943 QVQKILCJCZJDBU-AWEZNQCLSA-N 384.295 -0.206 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)CN2CC(=O)N(C)C2=O)ccc1[N+](=O)[O-] 860606404 WSXFYHPDGPXJIF-UHFFFAOYSA-N 386.342 -0.698 5 20 GBBD Cn1nnnc1-c1cccc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 917439332 MLLYCTQSTOUICG-UHFFFAOYSA-N 392.357 -0.513 5 20 GBBD O=C1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)N1 1794275475 KWBJPXZTAKXILJ-OPDFLTKYSA-N 390.400 -0.292 5 20 GBBD CC[C@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401246 GJITYGRITNINED-YYHQMBLXSA-N 394.432 -0.106 5 20 GBBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1)n1cnnn1 1843390983 JKZMCSXPFLRZKP-VIFPVBQESA-N 375.349 -0.617 5 20 GBBD COC(=O)CCNC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 18351033 GSGQSFXUZIVEGC-UHFFFAOYSA-N 393.308 -0.587 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 29089057 CFGSSEYOEODCII-UHFFFAOYSA-N 378.385 -0.083 5 20 GBBD COc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)ccc1[N+](=O)[O-] 275197261 YMQURRWWBYBZQG-JTQLQIEISA-N 394.383 -0.524 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 423146346 AHQSKLIPZTZSPY-OAHLLOKOSA-N 377.401 -0.571 5 20 GBBD CS(=O)(=O)C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCNCC1 578013948 OXYWUPFOTRUPEW-UHFFFAOYSA-N 397.457 -0.195 5 20 GBBD Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 581440980 YDGGLJFNEXVHNW-FPMFFAJLSA-N 389.412 -0.149 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594756256 WORHKSHIZLHMKT-UHFFFAOYSA-N 383.386 -0.899 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC12CC(CN1)C2 595261782 DICVHSRMBRINTC-UHFFFAOYSA-N 383.430 -0.076 5 20 GBBD CN(C)C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 825860808 XGLMGCIZFFSMHM-JTQLQIEISA-N 397.417 -0.274 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1 859183267 PWGXCLKVAQWRLY-PSASIEDQSA-N 391.406 -0.413 5 20 GBBD CN1C[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1=O 1258267153 SDNHQCZEPSLOBF-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCNC1=O 1327218336 GXDFYEQZUWOAQE-AWEZNQCLSA-N 375.385 -0.410 5 20 GBBD CNC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1579387191 WFINJGXGIMUATE-AWEZNQCLSA-N 395.401 -0.078 5 20 GBBD CN(CCNC(=O)C(=O)NCC1CC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1604766141 XOOLACJMKGPCSL-UHFFFAOYSA-N 388.388 -0.147 5 20 GBBD CN(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379947 NXLUDXNRTNVLRJ-MRXNPFEDSA-N 380.405 -0.287 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477387 NPOXLDLEWLNKJL-DLOVCJGASA-N 389.372 -0.052 5 20 GBBD O=C(Cn1cnnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1795855184 QUXSRZVATFAFSL-WDAIWFPHSA-N 391.344 -0.922 5 20 GBBD Nc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1[N+](=O)[O-] 21630225 NFUATAWQRUVNRT-UHFFFAOYSA-N 377.401 -0.206 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)O1 268351091 NHKIMWMUVLXMSY-WPRPVWTQSA-N 387.370 -0.323 5 20 GBBD CC1(CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])OCCO1 269626695 GKZNHOFUBDEYDF-UHFFFAOYSA-N 388.402 -0.077 5 20 GBBD COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 271659943 KWKFTOVCEZVWHM-UHFFFAOYSA-N 378.349 -0.589 5 20 GBBD C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCN1S(C)(=O)=O 271824424 DEUUZCNPHDXUTG-VIFPVBQESA-N 378.432 -0.288 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 276236278 PPTCCGWFBYVVDF-JTQLQIEISA-N 384.370 -0.221 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCCS(N)(=O)=O 295873584 FUQKHPBJHYJRON-UHFFFAOYSA-N 381.432 -0.259 5 20 GBBD COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 298143295 PKSOFUOWOWSJIN-JTQLQIEISA-N 397.340 -0.446 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] 439433886 ACKNEQSSISUFRE-WCQYABFASA-N 388.398 -0.394 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1[N+](=O)[O-] 519940705 NBTMTXSJHWKWTL-UHFFFAOYSA-N 378.345 -0.940 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 593325498 CKFRZJLNIOHTDB-SECBINFHSA-N 377.357 -0.009 5 20 GBBD Cn1nnc2c1CC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 594402559 ROXJQZXZLNBFOW-SNVBAGLBSA-N 394.413 -0.325 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H](O)[C@H]1CCOC1 609926976 BVEAMTLMYYCKIE-SMDDNHRTSA-N 387.414 -0.223 5 20 GBBD CN(CCN1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O 751963132 YCPIBGBYQNLAKV-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 757326586 XSFWKJWTKOWXJB-UHFFFAOYSA-N 388.402 -0.346 5 20 GBBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] 768536684 VGUFIMNTXVAGEJ-SNVBAGLBSA-N 379.329 -0.549 5 20 GBBD Cn1ncc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 791777982 MYCDIJLQYWHDEA-UHFFFAOYSA-N 397.369 -0.182 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC(=O)NS(C)(=O)=O 800550261 UHSLFTTYYKZPIL-SECBINFHSA-N 390.422 -0.591 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)n1 826362984 QXBCXEANRJBFDN-UHFFFAOYSA-N 392.357 -0.232 5 20 GBBD CN1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)C1 1779395681 NVMXAIPINHIHPM-MRXNPFEDSA-N 378.389 -0.677 5 20 GBBD CN1CC(C(=O)N2CC[C@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)C1 1784781700 AQSODRSHULVROA-MRXNPFEDSA-N 378.389 -0.677 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)OC)cc1[N+](=O)[O-] 275356707 HYEOJCJKIFUXEX-SECBINFHSA-N 377.331 -0.415 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCS(=O)(=O)N(C)C 461638217 RINWJQFNWBNIKU-JTQLQIEISA-N 376.439 -0.165 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 471019640 CEXPZIYNKIGVBQ-UHFFFAOYSA-N 385.446 -0.252 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[S@](=O)C1 474948710 BWUKICHPADZFCM-WYVULQQZSA-N 375.428 -0.100 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[S@@](=O)C1 475111085 PUXBGXJHQSPZCC-VKTRGTBVSA-N 390.443 -0.307 5 20 GBBD CC[C@H](C)[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 514720566 XFGXOJRADFKZAI-AAEUAGOBSA-N 382.421 -0.089 5 20 GBBD COc1ccc(NC(=O)[C@H](C)N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 533424365 SLZOTFUKNAFWAW-JTQLQIEISA-N 387.418 -0.249 5 20 GBBD CNc1nccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 557615118 RVNYWOXITCLPSA-LBPRGKRZSA-N 392.416 -0.306 5 20 GBBD C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1)C(=O)N1CCOCC1 577284526 DWBQQRSCCKLWIN-SECBINFHSA-N 387.370 -0.181 5 20 GBBD CN(C)C[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 589102023 UHWPJUGPMBAUBW-LBPRGKRZSA-N 388.446 -0.050 5 20 GBBD CN(C)CC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 593902202 PALUFOFGHFVJRS-HNNXBMFYSA-N 399.473 -0.293 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 595130762 YEQBWRADZDGZSU-PWSUYJOCSA-N 387.370 -0.530 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)CSCC(N)=O)c([N+](=O)[O-])c1 609822959 AMVUSBCNUVMSET-UHFFFAOYSA-N 390.443 -0.255 5 20 GBBD CNS(=O)(=O)c1cc(C(=O)OCCn2cnc([N+](=O)[O-])n2)ccc1OC 749079631 MZTWBDQMCVHEBL-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O 833501742 HQUVCWAOQGGMJQ-UHFFFAOYSA-N 395.415 -0.101 5 20 GBBD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 851328006 SFYVNNARAUGEHZ-AWEZNQCLSA-N 397.369 -0.485 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1832802925 FORLKSQQVGJFHO-KRWDZBQOSA-N 393.400 -0.342 5 20 GBBD CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828632 FKZFMAGIFGEION-GFCCVEGCSA-N 395.372 -0.196 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1845541478 QCRXIRXGAYNAHW-LBPRGKRZSA-N 377.401 -0.288 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 264964111 BQXPIGOHNTXMGM-SECBINFHSA-N 393.331 -0.245 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 266713697 KABWDNZQXPDFKK-UHFFFAOYSA-N 385.446 -0.171 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 267196243 MHFSXSLDGVEZOE-KBPBESRZSA-N 387.389 -0.350 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 267306678 LRNRQNYQPBEWAV-HUUCEWRRSA-N 383.426 -0.181 5 20 GBBD COc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)cc1[N+](=O)[O-] 275066335 ZZOOAJGAXCHXMM-VIFPVBQESA-N 387.370 -0.185 5 20 GBBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCOCCS(N)(=O)=O)c1C 288833594 CNKFIKQWRHFJNZ-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] 373970670 RULPJKXKSMALPR-TZMCWYRMSA-N 387.389 -0.039 5 20 GBBD O=C(N=c1cc[nH]cc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 474738992 UPKOLAGAKBCCQS-UHFFFAOYSA-N 382.362 -0.932 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 485833166 KKECBJYBKQFUCP-LBPRGKRZSA-N 387.370 -0.425 5 20 GBBD C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)N1CCS(=O)(=O)CC1 520977376 METYQJXWBQTAGX-SECBINFHSA-N 399.381 -0.301 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 555946278 FCDNOUNXTOUQJN-UHFFFAOYSA-N 382.395 -0.496 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NCCCn2cc(CO)nn2)cc1[N+](=O)[O-] 563434927 VZEJUIQMBOYQNI-UHFFFAOYSA-N 399.385 -0.166 5 20 GBBD COc1ccc(CCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1S(N)(=O)=O 568078522 UXUHOOFRSFQREB-ZDUSSCGKSA-N 399.429 -0.360 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CCO1 600230176 PHYLNEOHNRHPEH-SMDDNHRTSA-N 393.400 -0.131 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 619500415 VDJVDKVRTKNTRU-AWEZNQCLSA-N 384.370 -0.034 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC(NS(C)(=O)=O)C1 619751946 DBBOZUOZDVTJJB-UHFFFAOYSA-N 379.416 -0.038 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)n(C)c1=O 725938207 XZZZBSTYRBYHOZ-UHFFFAOYSA-N 398.278 -0.108 5 20 GBBD CN(CCCNC(=O)COC(=O)c1cc(O)cc([N+](=O)[O-])c1)S(C)(=O)=O 780072000 NEILPSFHYCNRFV-UHFFFAOYSA-N 389.386 -0.145 5 20 GBBD O=C1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CN1C1CC1 826478687 HWPBTJJFXHPSLN-MRVPVSSYSA-N 393.385 -0.184 5 20 GBBD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@@H](C)O1 839517207 QIAKVOYDCJTQKB-FDYHWXHSSA-N 376.435 -0.850 5 20 GBBD O=C(C(=O)N1CCC[C@@H](O)C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1330893554 YATLRZFZJGWPHL-LLVKDONJSA-N 396.425 -0.076 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2)c1ccc([N+](=O)[O-])o1 1792354964 GHKFQKZRACIHEV-OXIQGZBJSA-N 376.369 -0.081 5 20 GBBD NCC(=O)N1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804420368 VARGWVRMZIUZSW-DYVFJYSZSA-N 387.400 -0.149 5 20 GBBD O=C(CCN1CCOC1=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411822 JSIRPOIUQNLNLQ-UHFFFAOYSA-N 392.372 -0.023 5 20 GBBD CN(CC(=O)N1CCC[C@H](C(=O)O)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 262268101 XPHCCUXKIKMYMX-NSHDSACASA-N 380.357 -0.462 5 20 GBBD Cc1c(C(=O)NCCCN2CCNCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 269102026 FMSSZVSAIJPKMJ-UHFFFAOYSA-N 385.446 -0.424 5 20 GBBD COC(=O)N1CC(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 269364672 QJHLIXBPQBUSJO-UHFFFAOYSA-N 386.386 -0.218 5 20 GBBD CCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 273216056 UMSCEPLCLBACOT-UHFFFAOYSA-N 395.415 -0.401 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@H]2C1 431591845 ILSOZFHTOFGTNQ-LBPRGKRZSA-N 397.413 -0.501 5 20 GBBD C[C@H]1OCC[C@@]1(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 447741429 KXQKBDYKUQTQPD-IAQYHMDHSA-N 387.414 -0.081 5 20 GBBD CN(C)C[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 502918917 KLCLUHDUWOOHOJ-HNNXBMFYSA-N 388.446 -0.308 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCCCNC1=O 504209502 FDWYLNHYVNLLTO-NSHDSACASA-N 399.429 -0.159 5 20 GBBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)C(N)=O 553281679 UFURBZIGARLBTF-RYUDHWBXSA-N 384.414 -0.591 5 20 GBBD C[C@H]1[C@@H](NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCS1(=O)=O 554514504 OXCICCKFAWQKSY-UFBFGSQYSA-N 381.366 -0.117 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCn3nnc(CO)c3C1)OCCO2 590586920 VQZOIMLGGGNGHO-UHFFFAOYSA-N 397.369 -0.346 5 20 GBBD CCc1[nH]nc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)c1[N+](=O)[O-] 598911170 QLTRPLJRSUHVMF-CBAPKCEASA-N 394.344 -0.812 5 20 GBBD O=C1CN(C(=O)COC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 731103141 NWWLYSHMTXMHOG-UHFFFAOYSA-N 398.759 -0.520 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)c1ccc(Br)cn1 732608837 QRMVEVAAORGYEZ-UHFFFAOYSA-N 391.163 -0.151 5 20 GBBD Cn1cc(C(=O)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 735203518 IINFUQKSHNTAFJ-UHFFFAOYSA-N 382.354 -0.748 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1117894275 ZIMLVLBOBOYIFS-AWEZNQCLSA-N 396.425 -0.023 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCO[C@H]2CCOC2)c1-c1nn[nH]n1 1593485171 LKHOXXYPNGYJTA-VIFPVBQESA-N 384.374 -0.141 5 20 GBBD COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378875 IEGODOWKEVMVPJ-INIZCTEOSA-N 397.388 -0.576 5 20 GBBD O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)C1 1785403303 QOAINWRVILGTMX-INIZCTEOSA-N 377.357 -0.260 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1)c1n[nH]cc1[N+](=O)[O-] 1795881485 WMIXODGIODSIMR-CLLJXQQHSA-N 392.416 -0.098 5 20 GBBD CS(=O)(=O)CCC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844413004 MEOQBDXNAYINGZ-UHFFFAOYSA-N 385.402 -0.430 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 31672179 RLEHSILQYSSRJF-KBPBESRZSA-N 399.425 -0.049 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N(CCO)CCO)c([N+](=O)[O-])c2)CC1 266127647 NUMSALCKTQUTED-UHFFFAOYSA-N 388.446 -0.678 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 269343223 GDFXPZUAMZXOMT-UHFFFAOYSA-N 389.434 -0.390 5 20 GBBD CC1(O)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 277711820 JASIDKKMTFVULA-PWSUYJOCSA-N 385.398 -0.688 5 20 GBBD COC(=O)CNC(=O)c1ccc(NC[C@@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])c1 289581908 IUFCXYHWRWCRJQ-VIFPVBQESA-N 379.329 -0.460 5 20 GBBD CN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 481293481 OSCUPVIBUHIENZ-CYBMUJFWSA-N 399.429 -0.207 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1nnn(C)n1 486773919 NARKTRMEKVQNLR-QMMMGPOBSA-N 383.390 -0.121 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCO1 600015533 ITXONAOOKOLRQJ-GFCCVEGCSA-N 379.373 -0.002 5 20 GBBD COC[C@@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(N)=O 760045715 YJARJQOHVAKEJC-SNVBAGLBSA-N 375.341 -0.321 5 20 GBBD CC(=O)NCCOCCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 813940380 KFAOIUAAXOESNK-UHFFFAOYSA-N 379.325 -0.113 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCCCN(C)S(C)(=O)=O 1118620027 QCIFVKAMBNKWRD-UHFFFAOYSA-N 386.430 -0.049 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1256992506 ASDFTAVRLYQZMV-CYBMUJFWSA-N 384.414 -0.249 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCNCC1 1326168080 VOPZQJCRIBBDOL-GJZGRUSLSA-N 391.432 -0.072 5 20 GBBD COCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)CC1 1599139688 PDUQFNJNIFVFMQ-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD NC[C@H](N)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1778001282 RUQSWVOSWGSERL-XTQGRXLLSA-N 394.432 -0.664 5 20 GBBD C/C(=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2)C(=O)O 1785416121 QBDGKRDKMSHCFF-DIEDAUMRSA-N 393.356 -0.208 5 20 GBBD COCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786634150 DRKHHNJYYOJRAZ-GVXVVHGQSA-N 381.389 -0.052 5 20 GBBD Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1794229323 DCKHXPUZKAARAB-WDAIWFPHSA-N 389.372 -0.432 5 20 GBBD CC(=O)N(C)CCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841835871 OJBDUZZYNYMOFF-UHFFFAOYSA-N 392.416 -0.137 5 20 GBBD CNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8633121 ATICWFASROYKCR-ZETCQYMHSA-N 378.297 -0.422 5 20 GBBD COCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 41244842 DWEBVCXTAIACFV-UHFFFAOYSA-N 393.443 -0.123 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 272468774 DIPVUVQAIZRWMP-CYBMUJFWSA-N 378.385 -0.037 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 275081557 ITOZAQXVUBJVFU-SECBINFHSA-N 378.384 -0.143 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1C(=O)CCC1=O 280969570 OEPQCSNTBHKDMC-UHFFFAOYSA-N 384.370 -0.862 5 20 GBBD O=C(O)[C@H]1Cn2c(O)nnc2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 424396182 WWFCKKKPWWBSNZ-LLVKDONJSA-N 397.369 -0.267 5 20 GBBD COc1ccc(CNS(=O)(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 500079037 XRBMIGNCQXZFNS-UHFFFAOYSA-N 379.416 -0.332 5 20 GBBD Cc1[nH]c(=NCCN2CCCC2=O)[nH]c(=NCCN2CCCC2=O)c1[N+](=O)[O-] 563244651 ANIWAODOYBNAQZ-UHFFFAOYSA-N 391.432 -0.394 5 20 GBBD N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O 575882296 PNPLSQJVCARCAH-NXEZZACHSA-N 398.397 -0.702 5 20 GBBD N[C@@H]1C[C@H]2CN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CCN2C1=O 578338820 YYRQJHGSQYIBJQ-UONOGXRCSA-N 389.412 -0.185 5 20 GBBD CS(=O)(=O)N1CC(CNS(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])C1 593309739 BHSGGXRZBQQPON-UHFFFAOYSA-N 393.399 -0.537 5 20 GBBD CCO[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1CN 593916501 LVUGMPPHZFLSHO-DGCLKSJQSA-N 386.430 -0.305 5 20 GBBD CN1NN=C2C1=NCC[C@@H]2C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 597501251 SQWYVBUKSJXPBW-LBPRGKRZSA-N 394.413 -0.291 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] 597994113 IMCJWTNGVFSODL-HNNXBMFYSA-N 388.398 -0.104 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 609623608 HQOMOXCFJXUAKU-ZDUSSCGKSA-N 399.429 -0.327 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)N[C@H](COC)C(N)=O)cc([N+](=O)[O-])c1C 758486989 RWFSEYHWCVQFHW-LLVKDONJSA-N 389.386 -0.141 5 20 GBBD COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 778054416 ZWAQMYRYJPLWQT-VIFPVBQESA-N 389.342 -0.636 5 20 GBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NS(=O)(=O)c1cnc2n1CCC2 802208082 SLAKDMUPGDLAMU-UHFFFAOYSA-N 393.381 -0.028 5 20 GBBD CCN(CCO)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1117817581 FYMXNJAMGOGEIS-UHFFFAOYSA-N 378.385 -0.280 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1322912231 SVTSRTWPDVBFFD-UHFFFAOYSA-N 391.428 -0.514 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1326263106 DOBOVNFGHGUKGX-OCCSQVGLSA-N 377.353 -0.181 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 1593471662 SOKFVHZPGIKEOL-CYBMUJFWSA-N 381.374 -0.436 5 20 GBBD C[C@H]1CN(CCO)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603936184 JACZNKIZPKSKHN-JTQLQIEISA-N 397.417 -0.538 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2)C(O)O 1792799122 NKOOEDOOWURJDG-BZBKMWRSSA-N 383.332 -0.752 5 20 GBBD CC(=O)NCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845991697 QKINNHMFUAEGRD-UHFFFAOYSA-N 391.384 -0.904 5 20 GBBD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)n1cnnn1 1848163658 QRHMDGQVWJMKLE-DRZSPHRISA-N 389.376 -0.759 5 20 GBBD Cn1c(=O)c2c(ncn2C[C@H](O)COc2cccc([N+](=O)[O-])c2)n(C)c1=O 23674503 KOMFZCNLURDTGR-NSHDSACASA-N 375.341 -0.218 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 266805322 OQIHMYXDBLFBIT-UHFFFAOYSA-N 388.388 -0.322 5 20 GBBD O=C(C(=O)N1CCn2ncnc2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 460017206 NFIJRINMWXXYNZ-UHFFFAOYSA-N 385.384 -0.123 5 20 GBBD COCCCNC(=O)CN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 503174288 IQBQYSSSRSMJGO-UHFFFAOYSA-N 392.368 -0.198 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 513333103 DKEUDPGQXAGFCS-UHFFFAOYSA-N 375.359 -0.599 5 20 GBBD CN(CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)c1ccccc1[N+](=O)[O-] 565003592 YIJYLXKJQADICK-UHFFFAOYSA-N 397.457 -0.523 5 20 GBBD COCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])CC1 572411054 BDDKVGSOXLKXSZ-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD COc1cc(C(=O)NCCC(=O)NS(C)(=O)=O)c([N+](=O)[O-])cc1OC 763457924 OBEYNVSPKTUZMS-UHFFFAOYSA-N 375.359 -0.192 5 20 GBBD C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824420468 KWSQGUYUIFPWAA-JTQLQIEISA-N 397.417 -0.226 5 20 GBBD O=C(NN1CCS(=O)(=O)CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 862735452 DBNBNFSBEAUXMT-JTQLQIEISA-N 386.386 -0.446 5 20 GBBD COC(OC)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 1605013305 XGNMKALTNMQDHJ-UHFFFAOYSA-N 392.376 -0.375 5 20 GBBD C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CCCN1 1799216887 DCTCMYNLNIFBRH-WYFUGZQLSA-N 392.416 -0.337 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066676 OHAMWXLMEMQZBA-STQMWFEESA-N 390.396 -0.160 5 20 GBBD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165373 KOHLZGXCJZIPRK-AGIUHOORSA-N 393.404 -0.560 5 20 GBBD CC(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 53526833 SUKBSGZMRIEEEE-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 263794057 IWZFBWIZKJHMEN-LLVKDONJSA-N 394.340 -0.375 5 20 GBBD COc1cc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c([N+](=O)[O-])cc1OC 500518229 NAAAEYZGZPZJJE-UHFFFAOYSA-N 376.329 -0.001 5 20 GBBD Cn1ccc(=O)n(CCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1=O 561919730 OZXWSRHKLPPLTF-UHFFFAOYSA-N 399.367 -0.144 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 591572154 WLHCNWDKKCMMOY-XJKSGUPXSA-N 391.428 -0.182 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 610199535 JUHFNZBWAHHOJX-UHFFFAOYSA-N 377.361 -0.206 5 20 GBBD O=C(O)CCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 739734488 LBEZZOGGALLKNM-VIFPVBQESA-N 383.313 -0.074 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 794636194 ZMHMNEFJCNZZOP-JTQLQIEISA-N 383.386 -0.008 5 20 GBBD CNC(=O)NC[C@H]1CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCO1 1591210326 GISCSDZHOFUKSS-JTQLQIEISA-N 376.377 -0.095 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787476999 VHGIBZFANYNEGA-JSPGJAJPSA-N 393.400 -0.318 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1)N1CCOCC1 10207261 OOZCLVBZAMKIRI-UHFFFAOYSA-N 392.368 -0.556 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 16520365 NFRVKRKXTVZCDU-UHFFFAOYSA-N 398.441 -0.240 5 20 GBBD CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 116371242 RRPXVLHBPCEXMN-UHFFFAOYSA-N 375.359 -0.358 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@@H]3CNC[C@@H]3C2)c([N+](=O)[O-])c1 262491145 VAKRGMWIEMXFTL-PHIMTYICSA-N 383.430 -0.278 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCC2(O)CCN(C)CC2)cc1[N+](=O)[O-] 267117534 CTAUVLUGBZICGR-UHFFFAOYSA-N 380.401 -0.094 5 20 GBBD C[C@@H](O)c1cn(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 268871793 QHEWEXBYAAAMIN-SNVBAGLBSA-N 398.401 -0.666 5 20 GBBD O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273250845 DMCKBRQJCRTONC-UHFFFAOYSA-N 395.401 -0.342 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 417285239 UCZQMJJADPSWJN-GFCCVEGCSA-N 387.418 -0.839 5 20 GBBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CN(C)NC1=O 450612990 LRCBGSWHKXALSM-QWHCGFSZSA-N 395.441 -0.092 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](CO)O1 459845265 IJBLPAHOYLTQHA-KGLIPLIRSA-N 392.412 -0.148 5 20 GBBD COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(=O)OC 469316728 YJZMQUHGEOJDRS-SNVBAGLBSA-N 376.343 -0.152 5 20 GBBD COCCN(C)CCN1C[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1=O 572199152 HLVQUZBOOZWMIE-LBPRGKRZSA-N 382.421 -0.454 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NC2COCCOC2)c([N+](=O)[O-])c1 590004467 MQIDSKNFXUMTCT-UHFFFAOYSA-N 388.402 -0.424 5 20 GBBD C[C@H]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CS1(=O)=O 598185622 OMBSPURNJRLEHZ-WCBMZHEXSA-N 391.427 -0.062 5 20 GBBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(CCO)CCN1CCOCC1 611136459 YXJHYXDJVIXNBJ-UHFFFAOYSA-N 390.400 -0.058 5 20 GBBD Cc1n[nH]cc1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 732217717 GUWNIJZTBHISLD-UHFFFAOYSA-N 389.415 -0.117 5 20 GBBD CS(=O)(=O)CCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 737239626 LLRCSGPWPWCRCL-UHFFFAOYSA-N 387.370 -0.145 5 20 GBBD CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 825934273 LQFNPECSSRLMEX-JTQLQIEISA-N 391.396 -0.798 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 1257169558 URCCLSPYRJMZPV-JTQLQIEISA-N 392.338 -0.092 5 20 GBBD C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@@H](C(=O)O)O1 1599916457 IFNRHHJTBUZLSV-KWQFWETISA-N 377.309 -0.109 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008982 WJXXMYWATSQJST-XHSYRHOGSA-N 394.388 -0.967 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cc(O)no1 1798203330 VBWRTSJMPNMJSH-IJBDUVHLSA-N 392.328 -0.472 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccnc1)C(O)O 1802921844 BAXVLEBYFFAEJT-SMDDNHRTSA-N 389.368 -0.052 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2ncc[nH]2)C1 1842303626 YAEPUKIYALUIPG-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD CO[C@@H](C)CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 282142704 JNSCMPJFGLHTNL-JTQLQIEISA-N 381.432 -0.173 5 20 GBBD CN1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1=O 332438261 AFNWRPMCMITACQ-UHFFFAOYSA-N 395.441 -0.285 5 20 GBBD O=C(O)COCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 448992306 LMMCLIVLCHQHDO-UHFFFAOYSA-N 375.359 -0.519 5 20 GBBD COc1ccc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 521884011 VQUPEJFRHUYCNX-SECBINFHSA-N 379.416 -0.084 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1)N1CCCC1 532352423 QEAKZAPPNRAKAZ-UHFFFAOYSA-N 383.430 -0.082 5 20 GBBD Cn1nncc1S(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 781735266 QZBMTPWPAXTDRM-UHFFFAOYSA-N 378.330 -0.577 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC(O)(c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] 798270515 OXGZOZWLRAXCFQ-UHFFFAOYSA-N 389.372 -0.344 5 20 GBBD O=C(C(=O)N1CC[C@@]2(CCCN2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 817927656 OQCPZHOIBIZLQL-SFHVURJKSA-N 388.428 -0.007 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1322696311 VPQAVUFTYCAQAN-AWEZNQCLSA-N 391.428 -0.454 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ncn(C)n1 1323831596 HSPHJUOVNZSRLR-LLVKDONJSA-N 388.388 -0.356 5 20 GBBD CNS(=O)(=O)CCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1346254655 RYLMLVVTKOHAMA-UHFFFAOYSA-N 384.414 -0.249 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F 1351556441 BFHULHKMSZFWJN-MWLCHTKSSA-N 392.338 -0.107 5 20 GBBD CC(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792614669 PAIHHLJXRKNTHK-PTEHBNRSSA-N 381.389 -0.054 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 48249039 OYUXXBLTWWYNJE-UHFFFAOYSA-N 375.382 -0.120 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] 265911276 WLMIDSLDLYFYNQ-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD COCc1noc(CN2CCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)CC2)n1 275553924 MDLVBEPVCGTKMT-UHFFFAOYSA-N 379.377 -0.026 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1 424471618 NVDJLFVKKFCNSY-LLVKDONJSA-N 393.399 -0.809 5 20 GBBD O=C(NCC(=O)N1CCN(CCn2cncn2)CC1)c1cccc([N+](=O)[O-])c1 474097233 LWWSGFMBINXQRU-UHFFFAOYSA-N 387.400 -0.240 5 20 GBBD O=C(N[C@H]1CCNC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 579007594 WIRMQJLTXGSEIS-JTQLQIEISA-N 381.414 -0.581 5 20 GBBD O=[N+]([O-])c1ccc(N2CC[C@H](CO)[C@H](O)C2)nc1N1CC[C@H](CO)[C@@H](O)C1 579897211 IYGQOVJOALNWNX-GBOPCIDUSA-N 382.417 -0.651 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1C[C@@H](C(=O)O)CC1=O 619470695 FRMLEJYMGGASQQ-VIFPVBQESA-N 387.370 -0.185 5 20 GBBD NC(=O)c1ccc(NCCOC(=O)CN2CCCS2(=O)=O)c([N+](=O)[O-])c1 735897736 ZEMMJFLYEGVDJR-UHFFFAOYSA-N 386.386 -0.316 5 20 GBBD CC(=O)NCC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 764756853 WJAFXCWSKZIGJU-UHFFFAOYSA-N 387.370 -0.343 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 800554181 YGOQCSQGAJNCAT-UHFFFAOYSA-N 381.370 -0.024 5 20 GBBD C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1117377975 PBSUADTUBHZTSX-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCc1cnn(CC(F)(F)F)c1 1261160967 MDWUMYQBLISCRM-UHFFFAOYSA-N 389.294 -0.017 5 20 GBBD NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1345481913 HZELYMYLVWRSPQ-CYBMUJFWSA-N 389.412 -0.250 5 20 GBBD O=C1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CN1C1CC1 1593387134 ZBZGEXZCZKTCPG-MRVPVSSYSA-N 393.385 -0.184 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 266078137 UESRHOCLIHBGII-GJZGRUSLSA-N 383.426 -0.249 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1CCN(S(C)(=O)=O)CC1 268310841 QDOIAQKNTXGJCL-UHFFFAOYSA-N 386.430 -0.203 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 272926633 RKHXTRWDIWQYDF-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 273698339 CIDKUBJHNMOCTK-SNVBAGLBSA-N 378.432 -0.211 5 20 GBBD Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(N)c([N+](=O)[O-])c1 274689937 PKTNDOHHQSWUDJ-ZIAGYGMSSA-N 398.441 -0.599 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)c(C)c([N+](=O)[O-])c1 276927116 SJVDMSVVNLJSPJ-JTQLQIEISA-N 378.341 -0.025 5 20 GBBD C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C(N)=O 284740574 DMBNIYJAEOVSOG-MWLCHTKSSA-N 399.429 -0.376 5 20 GBBD O=C(CCn1cnccc1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 292551798 QYENLMITMCMAHT-UHFFFAOYSA-N 395.397 -0.364 5 20 GBBD CN(CCCC(=O)O)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422924715 BAPNEPJNZZFQGW-UHFFFAOYSA-N 379.373 -0.038 5 20 GBBD COC(=O)Cn1ccc(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 539448113 GMQCCUFJAOQJAC-UHFFFAOYSA-N 397.369 -0.119 5 20 GBBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)C(N)=O 553281678 UFURBZIGARLBTF-NEPJUHHUSA-N 384.414 -0.591 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 565183706 ZBLISBCXGQLZHP-GFCCVEGCSA-N 394.432 -0.129 5 20 GBBD CN1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 577083175 QQIICZISNJKHSN-CYBMUJFWSA-N 385.446 -0.347 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c(C)c([N+](=O)[O-])c1 600100941 XXVVPEWLAMYUBO-LBPRGKRZSA-N 394.384 -0.189 5 20 GBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 797299600 KHAXMQMDDQPJEE-MRVPVSSYSA-N 383.342 -0.203 5 20 GBBD O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cn1 823140137 PGRIRPZRISZQNS-KGLIPLIRSA-N 385.340 -0.006 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1323180780 FKZCPUKCUCYQAZ-UHFFFAOYSA-N 391.428 -0.420 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(=O)N1CCCC1 1327612287 UMQCZKGZZGGJQP-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD COCCN1CCN(S(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)CC1=O 1599242878 KZONAZPLDUCTGI-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD COC(OC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413631 ADMSEGCBVBJRSY-MRXNPFEDSA-N 382.373 -0.015 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 29398076 TXPNPKWKQVMVCQ-VIFPVBQESA-N 376.343 -0.014 5 20 GBBD NC(=O)c1cccnc1N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 266644461 CISLDQWOYNKTOE-ZDUSSCGKSA-N 375.389 -0.532 5 20 GBBD O=[N+]([O-])c1cccc(OCCN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 269920021 UIZUICLRNAYWLL-HZPDHXFCSA-N 385.442 -0.251 5 20 GBBD Cn1cnc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 271102094 RKAZDZYMZRMWEB-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 275118741 XVLYJFYVYLDMAA-UHFFFAOYSA-N 398.394 -0.748 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cnc(O)c([N+](=O)[O-])c1 276652407 ZENDPKZGPHHFFI-LBPRGKRZSA-N 379.373 -0.642 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 363988207 SLUDZZHTMCRLII-SECBINFHSA-N 378.432 -0.240 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCO[C@H](c2nn[nH]n2)C1 370851088 AGASINFVBNREFV-JTQLQIEISA-N 387.312 -0.696 5 20 GBBD Cc1sc(S(=O)(=O)N2Cc3nnc(O)n3C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 424393893 RWONLKDDAJANLG-SSDOTTSWSA-N 389.371 -0.080 5 20 GBBD C[C@](O)(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 480481863 KFTNVLSEWSWWAX-SFHVURJKSA-N 394.428 -0.086 5 20 GBBD Cn1cc(OCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 500865384 KORPJYACNLSRSD-UHFFFAOYSA-N 383.386 -0.198 5 20 GBBD CCn1cc(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])n1 532857510 LRWQIGIPEIMXFB-UHFFFAOYSA-N 395.463 -0.239 5 20 GBBD CN(CC(=O)NCCN1CCCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 568640773 MIIVXUYILWVKEG-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD Cn1nccc1S(=O)(=O)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 802150173 OPOCRDWNINLYFZ-UHFFFAOYSA-N 388.383 -0.150 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798747522 FFSZUVVPUQKJEO-ADGXKJENSA-N 393.400 -0.349 5 20 GBBD O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 1848163572 INEFRTVYOWTZCU-XBFCOCLRSA-N 390.400 -0.481 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 264636609 CQMPXXLPJNXTEN-UHFFFAOYSA-N 381.374 -0.863 5 20 GBBD CCN(C(=O)c1cc([N+](=O)[O-])[nH]n1)C1CN(C(=O)c2cc([N+](=O)[O-])[nH]n2)C1 286064436 UWMUMQPCKSBZEA-UHFFFAOYSA-N 378.305 -0.064 5 20 GBBD CO[C@@H]1C[C@@H]2C(=O)N(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)N2C1 349337323 YOTXHPXNMFNQSQ-DGCLKSJQSA-N 398.397 -0.075 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 439843179 JFDLPSDIMKTGLO-SNVBAGLBSA-N 386.386 -0.179 5 20 GBBD CCOC(=O)[C@](C)(O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 468947582 JMNGFUDIHPDGBM-MRXNPFEDSA-N 381.341 -0.250 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)NC)cc([N+](=O)[O-])c1C 480863021 FAWZQNXLCMMEFM-LLVKDONJSA-N 389.386 -0.535 5 20 GBBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC(=O)N1CCOCC1 539579260 CEYJXKMLHOWGOP-UHFFFAOYSA-N 384.776 -0.047 5 20 GBBD O=C(CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)NCCO 560223905 KHYBWKMWBGLFAD-UHFFFAOYSA-N 389.162 -0.480 5 20 GBBD COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 573430116 KAQSKNLVQQRPPF-ZDUSSCGKSA-N 387.414 -0.112 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@@H]1CC(=O)N(C)C1=O 573814602 JVJFWYPAEGXCJW-DTWKUNHWSA-N 398.397 -0.087 5 20 GBBD CN(C)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O 576238717 GLYSDURIJZVHHP-KBPBESRZSA-N 386.430 -0.604 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@](O)(Cn2ccnn2)C1 585795718 WTLSLQNBVOHTKQ-YVEFUNNKSA-N 388.384 -0.032 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn(C)nn1 593476642 ZCFWNLFMFLGZGV-UHFFFAOYSA-N 397.417 -0.157 5 20 GBBD CO[C@@](C)(C(=O)O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 595995404 PQFVHAFJUNMXFD-CYBMUJFWSA-N 375.359 -0.521 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 599938083 LSBXRQCJSXSRCT-NEPJUHHUSA-N 388.380 -0.142 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCS(=O)(=O)NC 600666016 XEUWXIVZOHVNKC-JTQLQIEISA-N 376.439 -0.117 5 20 GBBD O=C1CCN(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1 733562474 XGGDWDRTMXSKGO-UHFFFAOYSA-N 394.296 -0.253 5 20 GBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 757729456 UTWXVHYKZVTEPY-SECBINFHSA-N 382.192 -0.258 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@@]2(CO)C1 782939135 URCJSSCJBSYENN-NHYWBVRUSA-N 384.414 -0.103 5 20 GBBD CN(CCN1CCOCC1)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1342056613 SXGKSTQSBLUMRP-UHFFFAOYSA-N 380.401 -0.120 5 20 GBBD C[C@@H](O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCO1 1589996058 PQOAHTYCDZRLPN-LDYMZIIASA-N 384.374 -0.455 5 20 GBBD CN1C[C@H](C(=O)O)N(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O 1598564875 LLIHKOASVTWABV-SNVBAGLBSA-N 398.759 -0.268 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401459 CPEQIDPVFXJWPY-DOFRTFSJSA-N 376.329 -0.177 5 20 GBBD C/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839814690 DBBQAJHOXNIGPB-WOMSROEHSA-N 379.373 -0.036 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)n1 1843585945 VBTGPUWULKEBHC-JTQLQIEISA-N 378.389 -0.899 5 20 GBBD O=C1CN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([N+](=O)[O-])o2)C(=O)N1 1847168280 JAHRBSVLBMRMNM-UWVGGRQHSA-N 391.340 -0.445 5 20 GBBD O=C(Cn1cccnc1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57454335 NUGFERFQGBZQQL-UHFFFAOYSA-N 381.370 -0.754 5 20 GBBD COCCN(C(=O)Cn1cc([N+](=O)[O-])c(C)cc1=O)[C@H]1CCS(=O)(=O)C1 283761087 ARHBPQSNTWNUCO-LBPRGKRZSA-N 387.414 -0.273 5 20 GBBD Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 285275207 MZDWMJCDHHZEQI-GXTWGEPZSA-N 398.397 -0.595 5 20 GBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 289977981 RMTUXLAKFZPNIC-BZPMIXESSA-N 399.425 -0.034 5 20 GBBD COc1cc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)ccc1[N+](=O)[O-] 295865635 FIFLKQAJDHTSIP-UHFFFAOYSA-N 382.420 -0.722 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)CN1CCOCC1 298289713 BWNBDPXDSJPOQD-SWLSCSKDSA-N 380.401 -0.478 5 20 GBBD CCOC(=O)[C@H]1NCC[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 422978140 HCQBVPWBFHRAMD-FZMZJTMJSA-N 386.430 -0.244 5 20 GBBD CNC[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423599097 XDXOTHCHZZKRJP-CYBMUJFWSA-N 376.417 -0.151 5 20 GBBD CN1C(=O)c2ccc(S(=O)(=O)NCCn3cc([N+](=O)[O-])cn3)cc2C1=O 427812892 SUTLHZAVSOCYJV-UHFFFAOYSA-N 379.354 -0.004 5 20 GBBD O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442023341 CUUWDIMFDIPOJJ-SNVBAGLBSA-N 381.732 -0.051 5 20 GBBD CN1C(=O)NC2(CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O 474092646 AGDJKKPONZOWFW-UHFFFAOYSA-N 389.368 -0.133 5 20 GBBD O=C(O)[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O 570920295 GETIDSPLTMUGNR-GFCCVEGCSA-N 387.370 -0.133 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCNC1=O 590916656 LIUSDRDZWPWNJX-NSHDSACASA-N 399.429 -0.302 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 594878901 MAXSKHFBMIJNAV-KGLIPLIRSA-N 390.400 -0.836 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 609955226 NKLZKZJFCCBFMX-ZDUSSCGKSA-N 391.384 -0.305 5 20 GBBD O=C(C(=O)N1CC[C@]2(CCCN2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 817927655 OQCPZHOIBIZLQL-GOSISDBHSA-N 388.428 -0.007 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCCN(C=O)CC2)c([N+](=O)[O-])c1 819436558 POBWWZODNLOMOV-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 854382692 IWYUNBBJSDOBPR-ZFWWWQNUSA-N 395.368 -0.465 5 20 GBBD CCN(CCO)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1326818062 XTGYIBIDNFJRIQ-UHFFFAOYSA-N 384.414 -0.219 5 20 GBBD CCONC(=O)CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1346416646 YIZPLODTOPCGBV-UHFFFAOYSA-N 379.373 -0.573 5 20 GBBD O=C(Cn1cncn1)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1592942510 ABSXGFGCWMGFPC-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383424 MFTPCIZZWSHTSK-HWPZZCPQSA-N 394.388 -0.727 5 20 GBBD O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)CN1 1783166637 ZOHJJNGQVCIZRK-DIFFPNOSSA-N 391.384 -0.498 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)n1 1843349337 RKJMKCRIWWXXDN-JTQLQIEISA-N 378.389 -0.899 5 20 GBBD COC(=O)CNC(=O)c1ccc(NCCCNS(C)(=O)=O)c([N+](=O)[O-])c1 29530584 HCWIXBPLUBDSDE-UHFFFAOYSA-N 388.402 -0.151 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)N2CCCC2)cc1 264162890 FYVZLIBYWXAMJA-UHFFFAOYSA-N 378.432 -0.197 5 20 GBBD CN1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 267788197 ZBJUIZBFQCNCJR-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nnn(C)n2)CC1 278763545 XZSSEYIGTUNFND-UHFFFAOYSA-N 381.418 -0.067 5 20 GBBD O=C1NCCN1CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 289181318 IJPJQFUPIJBEFF-UHFFFAOYSA-N 383.430 -0.074 5 20 GBBD NS(=O)(=O)CCN1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 440536966 OIRXYZIPKLOIHE-UHFFFAOYSA-N 397.457 -0.610 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 447198325 FDZDYYPBNTUNQE-UHFFFAOYSA-N 380.448 -0.135 5 20 GBBD O=C(C(=O)N1C[C@H](O)[C@@H](CO)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 459844381 HAGZINCOTQQMJJ-DOMZBBRYSA-N 378.385 -0.945 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 509607034 FECXKOJGJWQNTM-MNOVXSKESA-N 389.434 -0.243 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 510136797 XGKXMWBRPDWVRW-NSHDSACASA-N 384.414 -0.278 5 20 GBBD CC(=O)NCCN(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 569964641 NHAAPAFIOXQKOV-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD COC[C@H](OC)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 597787792 FZVWOSDMXBTVFP-ZDUSSCGKSA-N 375.403 -0.007 5 20 GBBD O=C(Cn1cncn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 603454884 UVZLHDWCVVEUAL-UHFFFAOYSA-N 380.386 -0.281 5 20 GBBD NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 610886910 CWGPXLDOILUHAX-AWEZNQCLSA-N 388.384 -0.490 5 20 GBBD O=C(C(=O)N1C[C@H](O)[C@@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839209127 GATWTBFNHGJXDQ-DOMZBBRYSA-N 378.385 -0.945 5 20 GBBD CN1CC[C@H](C(=O)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)S1(=O)=O 842676513 WTEXKASOVORLFQ-LLVKDONJSA-N 377.400 -0.425 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 1261487609 XWYOHQCGKSKTHY-HIFRSBDPSA-N 393.396 -0.022 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)SC[C@@H]1C(=O)NCCC(=O)O 1600720721 VUUVWDRFSCTEJN-VHSXEESVSA-N 385.402 -0.019 5 20 GBBD Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)n1 1794590555 CDVSTJUYBIYYAJ-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD O=C(Cc1cnc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796332709 SGTXCSGCXHYCPO-WDAIWFPHSA-N 389.372 -0.513 5 20 GBBD CCN(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404807 JRDKDGGCFSCYGJ-RVMXOQNASA-N 394.432 -0.139 5 20 GBBD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1)n1cnnn1 1843390982 JKZMCSXPFLRZKP-SECBINFHSA-N 375.349 -0.617 5 20 GBBD COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)c([N+](=O)[O-])c1 1845259888 QNZRKBHMVMSXMV-AWEZNQCLSA-N 391.428 -0.365 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 278736857 MLGLVAZKNGZBNO-AWEZNQCLSA-N 384.370 -0.034 5 20 GBBD COCC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280931696 AOGBZFZPZCQKPJ-NSHDSACASA-N 390.418 -0.430 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3ccc(S(=O)(=O)NC)cc3[N+](=O)[O-])CCN2C1=O 364871867 UYWXMLGLZNBLAH-ZDUSSCGKSA-N 397.413 -0.024 5 20 GBBD C[C@@H](O)CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)CO 443798683 LCPNQTBQDHHIOB-VXGBXAGGSA-N 389.430 -0.147 5 20 GBBD COC(=O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)CC1 501463556 VIQXQUVDMMVLOD-UHFFFAOYSA-N 392.411 -0.007 5 20 GBBD CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 525699438 SDTLWNRXRJBBMX-SNVBAGLBSA-N 378.432 -0.060 5 20 GBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCc1nnnn1CC1CC1 547431602 AFXVVXYSNIUXLL-UHFFFAOYSA-N 385.340 -0.096 5 20 GBBD NC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 732072830 QJIKVHARVJBOAX-GFCCVEGCSA-N 393.400 -0.188 5 20 GBBD O=C(NCCc1cnccn1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 793489377 QBRRGRZOSMGAAQ-UHFFFAOYSA-N 385.384 -0.213 5 20 GBBD Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 822631949 MOOINTBGAPGTJQ-TZMCWYRMSA-N 387.356 -0.062 5 20 GBBD CN1CC[C@H](C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])S1(=O)=O 842719065 FVKWBEOGZNPETD-GFCCVEGCSA-N 386.386 -0.317 5 20 GBBD CNc1nccc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 848791587 VIEOLNUWIXFWMR-DTWKUNHWSA-N 386.386 -0.120 5 20 GBBD O=C(Cn1ncc([N+](=O)[O-])n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 863375596 XLDWDMDAYFPWCR-UHFFFAOYSA-N 396.385 -0.154 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c1-c1nn[nH]n1 1593484295 UGAWAJUEFZGLDG-NZYOJBAKSA-N 384.399 -0.331 5 20 GBBD CC(=O)NCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1602942535 RCUUPBIVRJWPJU-UHFFFAOYSA-N 388.388 -0.004 5 20 GBBD COCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784812 ZHCRJKBWJLRSKF-KRWDZBQOSA-N 394.384 -0.767 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784850160 AQSJTCADABWNEE-AEMSQSNESA-N 391.384 -0.346 5 20 GBBD Cn1ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401451 CIUTXQXQPNPARQ-JGPRNRPPSA-N 389.372 -0.432 5 20 GBBD O=C(CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CC1 66360408 VSWCLZJTDDJTJH-UHFFFAOYSA-N 385.402 -0.549 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCNS(C)(=O)=O 273147431 LEBSAAKOBQKNPW-UHFFFAOYSA-N 395.415 -0.401 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2n(n1)CCO2 290602969 WMONSSHGRGRJLW-UHFFFAOYSA-N 381.370 -0.108 5 20 GBBD O=C(CN1CCN(c2ncccc2[N+](=O)[O-])CC1)NCC(=O)N1CCCC1 298057243 JRPLTTNLPBDAGB-UHFFFAOYSA-N 376.417 -0.150 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN2C(=O)C(=O)NC[C@H]2C1 372041069 DJPQHOWGCPRWBC-VIFPVBQESA-N 393.312 -0.563 5 20 GBBD NC[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 417676954 GPKLZKLPZKYYRW-NSHDSACASA-N 387.418 -0.758 5 20 GBBD O=C(CN1CCN2C(=O)NC(=O)[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 492634267 XVSFKGCROVZYND-SNVBAGLBSA-N 377.313 -0.502 5 20 GBBD NC(=O)c1ccnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] 576321412 KXKKOWTZCNWGEM-NSHDSACASA-N 399.429 -0.281 5 20 GBBD NC(=O)c1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)nc1 737760078 OSEVPOQGSHHKQZ-UHFFFAOYSA-N 396.371 -0.010 5 20 GBBD CNc1nccc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1[N+](=O)[O-] 854592788 STQJDLRLWQKNKN-UHFFFAOYSA-N 391.431 -0.085 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCOC2(CCOCC2)CC1 1325570414 KSPJMGZQSCSAAT-UHFFFAOYSA-N 381.389 -0.294 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCNCC1 1329390172 WQUMGRZBZWUQHV-KBPBESRZSA-N 391.432 -0.154 5 20 GBBD Cn1c(C[C@@H](C[N+](=O)[O-])C2CCOCC2)nnc1N1CCS(=O)(=O)CC1 1349805912 PEHHOFKQFPXNLI-ZDUSSCGKSA-N 387.462 -0.088 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784720569 RUQDFYHTCQKDOI-MEDUHNTESA-N 379.373 -0.202 5 20 GBBD CC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999876 BRODQGVLFGMWLF-FVCICTRLSA-N 393.400 -0.250 5 20 GBBD CC(C)(C)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795564596 ZAAXRZMLMZGPCS-GNXNZQSNSA-N 394.432 -0.091 5 20 GBBD CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 29960534 SMENASRUSHNGJX-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD NS(=O)(=O)c1ccc(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 36740829 LGTOLSGUNIWNRO-UHFFFAOYSA-N 380.382 -0.237 5 20 GBBD NC(=O)[C@@H]1CCCN1CCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 264480849 NNVPRQCTECYQCO-AWEZNQCLSA-N 377.401 -0.219 5 20 GBBD Cn1c(S)nnc1CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 264517440 BIVKLACYBSYWGW-UHFFFAOYSA-N 390.381 -0.033 5 20 GBBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C 268645956 SOWYGHUQEXVKPO-NSHDSACASA-N 382.398 -0.457 5 20 GBBD CCS(=O)(=O)NCC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273383788 IULFUZJSPNLWLR-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD COC(=O)C[C@@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 366153242 BHGDFQSKTABXTN-SNVBAGLBSA-N 387.370 -0.354 5 20 GBBD O=C(COC1CNC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 429741639 WVUBHXKRJNLGLR-UHFFFAOYSA-N 384.414 -0.584 5 20 GBBD CCS(=O)(=O)NCCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 435723539 PMCLUOKCSKWVRO-UHFFFAOYSA-N 398.397 -0.083 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCN3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 485220326 QTPAMSOLHFWSER-GFCCVEGCSA-N 383.386 -0.415 5 20 GBBD C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN(C)C 517245927 FZLSNPAQGYFVHU-RYUDHWBXSA-N 395.416 -0.025 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O 518675868 UCRNICODSYXNHT-UHFFFAOYSA-N 379.329 -0.400 5 20 GBBD O=C(Cn1cnnc1O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 541082892 QYOTUIUGHAUCNX-UHFFFAOYSA-N 396.385 -0.575 5 20 GBBD NC(=O)c1ccnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 589561959 PKUWYNVRCXQILQ-UHFFFAOYSA-N 376.373 -0.640 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1O 597640810 MHZRGWRAPDCYEI-GFCCVEGCSA-N 381.341 -0.179 5 20 GBBD C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C 824999204 DWAFDBJBBZVFDH-SECBINFHSA-N 399.375 -0.351 5 20 GBBD C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1323905138 KLCLPCSPRNYUQY-NWDGAFQWSA-N 380.405 -0.187 5 20 GBBD C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1326063886 XSKHEAIPMDORBT-OLZOCXBDSA-N 377.401 -0.132 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCNCC1 1329390174 WQUMGRZBZWUQHV-UONOGXRCSA-N 391.432 -0.154 5 20 GBBD Cn1nnc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)n1 1606284315 IEFJFVLLJJVDPZ-UHFFFAOYSA-N 385.348 -0.739 5 20 GBBD COc1cc(S(=O)(=O)NCCNS(=O)(=O)NC(C)C)ccc1[N+](=O)[O-] 276973821 DXBBVQXQBZBJKL-UHFFFAOYSA-N 396.447 -0.286 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1[N+](=O)[O-] 413802493 UTWHDZZTTPGGIC-GFCCVEGCSA-N 386.430 -0.181 5 20 GBBD NC(=O)C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)O 548205380 WBRMUJCBILCZRP-QMMMGPOBSA-N 396.175 -0.036 5 20 GBBD O=C([C@@H]1[C@H]2CNC[C@H]21)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 592477916 RKAAHBADAAOTNG-JYAVWHMHSA-N 380.426 -0.107 5 20 GBBD CN(C)S(=O)(=O)N1CC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 600711185 RQDWFSITADNMAI-UHFFFAOYSA-N 395.401 -0.604 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCNC(=O)[C@H]1CC(=O)O 737876832 CNSFZWVJHYNXQI-LLVKDONJSA-N 395.324 -0.404 5 20 GBBD NC[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)=NO1 852801995 AJZHEFPNEBVOJM-LBPRGKRZSA-N 397.413 -0.469 5 20 GBBD COCC(=O)N(C)CC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861407396 NUQUATQUUZGDHE-UHFFFAOYSA-N 389.386 -0.791 5 20 GBBD O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] 1336619458 JWNGSOTYZRZCOJ-GJZGRUSLSA-N 398.441 -0.691 5 20 GBBD C[C@@H](C(=O)NC1CC1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1588971869 AGGTZNAKBPAQLW-JTQLQIEISA-N 387.404 -0.041 5 20 GBBD Cn1cncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1794833269 PLENXRGSTGBSDJ-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1)C(=O)O 1844411338 DAEPNBZIDLNGBT-SECBINFHSA-N 380.361 -0.802 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 263679268 NCUOBVDQNOEFJF-YPMHNXCESA-N 385.398 -0.423 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 274162796 ZKROIZWNWILSJG-LLVKDONJSA-N 392.411 -0.136 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] 275479953 XCTZSZALPIKSHH-AWEZNQCLSA-N 387.370 -0.019 5 20 GBBD NC[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 420061951 MCEQNJOCNWCJNI-NSHDSACASA-N 395.441 -0.206 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCc2nn[nH]c2C1 469422371 ODGAURVHUWRRFS-UHFFFAOYSA-N 380.386 -0.034 5 20 GBBD COC(=O)[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 488699644 ULXCALRNAQGXEJ-GFCCVEGCSA-N 388.354 -0.072 5 20 GBBD CC(C)(C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)n1cc([N+](=O)[O-])cn1 522857149 IJNWETVZMWPNTD-CYBMUJFWSA-N 394.432 -0.424 5 20 GBBD C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCN1S(C)(=O)=O 539548259 RUDWUTKDWOLFLA-VIFPVBQESA-N 378.432 -0.288 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 561069366 UZIRUGGCNCAWQD-UHFFFAOYSA-N 385.446 -0.018 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 595242318 SNDJXPKFAVNIDX-GXSJLCMTSA-N 381.776 -0.043 5 20 GBBD CCC[C@@H](C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(N)(=O)=O 597499857 GXVZIWFDHQOIGM-LBPRGKRZSA-N 393.443 -0.058 5 20 GBBD Cc1c(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 610926749 LHNJSLAOQPCTFL-QMTHXVAHSA-N 386.430 0.000 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 801817049 IVSZLUMVUNMWTN-QMMMGPOBSA-N 388.377 -0.261 5 20 GBBD Cn1cc(N2C[C@@H](C(=O)NS(=O)(=O)c3cccnc3[N+](=O)[O-])CC2=O)cn1 860877123 VSNHDNCRJWCAAE-VIFPVBQESA-N 394.369 -0.419 5 20 GBBD CO[C@@]1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOC1 1325937090 VNNLBZWWWFWJTK-QGZVFWFLSA-N 393.400 -0.440 5 20 GBBD CN(CCNS(C)(=O)=O)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 1339018931 ZUQVIXOCOMVBPZ-UHFFFAOYSA-N 385.402 -0.198 5 20 GBBD O=C(NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1c[nH]c(-c2nn[nH]n2)c1 1593023800 HERXOVJXGLPYMX-DGCLKSJQSA-N 386.372 -0.252 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3-c3nn[nH]n3)CCN12 1593405282 OHISYZFNIKSVKE-SECBINFHSA-N 394.373 -0.827 5 20 GBBD C[C@H](O)C[C@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603696222 POZCKZYMQLVEPJ-ONGXEEELSA-N 398.401 -0.065 5 20 GBBD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834973475 DHLRUFQNRYXNLW-INIZCTEOSA-N 382.373 -0.361 5 20 GBBD O=C1NC(=O)[C@@H](CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)N1 1840965063 MDDCZKILQRNIIL-SECBINFHSA-N 391.340 -0.397 5 20 GBBD NC(=O)[C@H]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 52392154 QWQIRXIMQLPBPK-NSHDSACASA-N 384.414 -0.073 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)N1CCCC1 265327442 VCMHFTJOJNHPOC-UHFFFAOYSA-N 378.432 -0.197 5 20 GBBD C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C(N)=O)O1 268344454 LXTIWWPQMZVZCG-PELKAZGASA-N 387.370 -0.371 5 20 GBBD C[C@H](C[S@@](C)=O)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 273097525 NXRYIEXCOIVQKM-VKTRGTBVSA-N 392.459 -0.061 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 299681145 RMUZKYVQZVMVAC-LSDHHAIUSA-N 399.425 -0.724 5 20 GBBD CO[C@@]1(CN=c2[nH]c(C)c([N+](=O)[O-])c(=NC[C@]3(OC)CCOC3)[nH]2)CCOC1 460948215 IAPIDRVEGOSJAD-IAGOWNOFSA-N 397.432 -0.028 5 20 GBBD Cc1c(C(=O)N2CCS(=O)(=O)C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 469477623 IKCXSGROSNXCJV-QMMMGPOBSA-N 391.427 -0.190 5 20 GBBD O=[N+]([O-])c1cccc2ncnc(N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)c12 544394165 HFXDDXSMEDRCRY-ZIAGYGMSSA-N 393.425 -0.182 5 20 GBBD Cn1c(O)ncc(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)c1=O 552013093 JDXYVWHCAOPVHD-UHFFFAOYSA-N 399.367 0.569 5 20 GBBD Cn1ccc(NC(=O)CNC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 590537141 BFEAJIKWQMVRMT-UHFFFAOYSA-N 394.775 0.466 5 20 GBBD NC[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 595931140 VTLXGODYRGBFDL-JSGCOSHPSA-N 398.441 -0.209 5 20 GBBD NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 597555130 ZTPBETOZBNCEII-NRUUGDAUSA-N 382.398 -0.032 5 20 GBBD COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 600321515 SQDPKGCUYPXLNP-PWSUYJOCSA-N 381.341 -0.290 5 20 GBBD CN(C)C(=O)CNC(=S)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 734980509 CTNCYIBQMHVAPC-UHFFFAOYSA-N 389.459 -0.575 5 20 GBBD CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 821631334 GDCWKHNQHBRHOA-VIFPVBQESA-N 395.401 -0.078 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(NC(=O)C2CC2)CC1 1323615531 KIDAGZNKCMUZMK-UHFFFAOYSA-N 378.389 -0.575 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2)c1ccc([N+](=O)[O-])[nH]1 1798745219 DOCPBMRRHSJAGC-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2)n1cnnn1 1803085826 JMDZPOANRSMHCK-MMWGEVLESA-N 389.376 -0.183 5 20 GBBD CS(=O)(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848163554 GVDRBOYPPLNBNK-STQMWFEESA-N 399.429 -0.572 5 20 GBBD N[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 261984311 MIQNMUVYLUXSON-AWEZNQCLSA-N 386.430 -0.257 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 263650280 ABGGBGGEWSIBFO-UHFFFAOYSA-N 381.374 -0.863 5 20 GBBD COC[C@@H](CCO)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 265873575 VRNFHMAGDOPHFQ-LLVKDONJSA-N 390.418 -0.430 5 20 GBBD CNC(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 267857454 FPXLMOPUCJSTJM-UHFFFAOYSA-N 375.341 -0.326 5 20 GBBD COC(=O)[C@@]1(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 268027851 DCSABWFDPNPNQW-CQSZACIVSA-N 388.354 -0.024 5 20 GBBD O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 277251481 LUQCVXOIOYOKBD-MRVPVSSYSA-N 375.315 -0.725 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](CO)O1 410978571 LNVJSWUENSSQDA-OLZOCXBDSA-N 393.400 -0.753 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 468709133 HXYXGDAJHCLJGZ-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 471326021 GASBQAZPVXKBMC-WDEREUQCSA-N 375.428 -0.428 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 498774792 LBAJIPXPFMGYET-NSHDSACASA-N 379.369 -0.040 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)nn1 500536769 ZVOLNUPZOSDDOU-UHFFFAOYSA-N 388.340 -0.318 5 20 GBBD COC[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 531498842 OWQHWFCYMZLHEY-OAHLLOKOSA-N 387.414 -0.175 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 577237452 HVGOLKWOHNBQGE-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 591575329 YWVYTJTWILWWSX-CZUORRHYSA-N 391.428 -0.182 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 594826838 PGVFRCCFPQQBNK-KOLCDFICSA-N 380.400 -0.306 5 20 GBBD CC(C)NC(=O)CNC(=S)NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 727268753 RDIILNIQFFLZHK-UHFFFAOYSA-N 390.447 -0.442 5 20 GBBD NS(=O)(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 732662821 ZIDOPNBTKMMUGN-GFCCVEGCSA-N 384.414 -0.066 5 20 GBBD Cc1c(C(=O)NS(=O)(=O)N2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 747752504 WYNHYAMHUFEECZ-UHFFFAOYSA-N 396.385 -0.209 5 20 GBBD CNC(=O)[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 763699478 UQHZRDMANUVYGE-UONOGXRCSA-N 378.385 -0.269 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@]2(CO)C1 782974918 ZPFNYFYFUHJSMQ-XHDPSFHLSA-N 384.414 -0.103 5 20 GBBD COC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 821665134 XCWCEERQDWNXNJ-UHFFFAOYSA-N 397.373 -0.152 5 20 GBBD C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 1323905288 LTWLZGNACJGRKE-WQGACYEGSA-N 381.389 -0.298 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1609298082 HIXWHOUKFAJPBY-LBPRGKRZSA-N 375.345 -0.362 5 20 GBBD O=C(c1ncon1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779870808 VXVRPHJOGMKTAE-AWEZNQCLSA-N 377.317 -0.542 5 20 GBBD NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1783151206 JPZGGTJPBWWRDL-OAHLLOKOSA-N 380.361 -0.973 5 20 GBBD CO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1791319588 XPLJETOFGAVYPE-BLFANLJRSA-N 381.389 -0.054 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401464 DLDQHYIZDHEATJ-DOFRTFSJSA-N 375.345 -0.442 5 20 GBBD O=C1CCCN1CC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1842830023 RSIHKLOJZKIHLZ-UHFFFAOYSA-N 390.400 -0.383 5 20 GBBD O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)C(=O)N2CCOCC2)CC1 10205203 ZXTRXCCOBCOXFO-UHFFFAOYSA-N 390.396 -0.333 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 409794018 UDJSBIJEOBVWQP-UWVGGRQHSA-N 395.463 -0.193 5 20 GBBD CCC[C@@H](O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 412507403 DNRLYCMNXBJBJG-UONOGXRCSA-N 389.430 -0.099 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 503094739 QBVCGDNUQRAGBG-UHFFFAOYSA-N 388.380 -0.043 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCCS(N)(=O)=O)cc2[N+](=O)[O-])CC1 515797988 RXDGNJUWZVENAQ-UHFFFAOYSA-N 399.429 -0.718 5 20 GBBD NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 569025559 WYARDNDQNJYLMM-CYBMUJFWSA-N 388.384 -0.490 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])C1 575804606 ANMYFFMJLGBWSL-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD O=[N+]([O-])c1ccc(N2CC[C@H](CO)[C@H](O)C2)nc1N1CC[C@@H](CO)[C@H](O)C1 579897210 IYGQOVJOALNWNX-AYRXBEOTSA-N 382.417 -0.651 5 20 GBBD O=C1CC[C@@H](CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)N1 596201968 NFNNTBCDIWPHDY-JTQLQIEISA-N 385.402 -0.549 5 20 GBBD O=C(O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 610891904 KIZMEEJDSXRRBB-GFCCVEGCSA-N 387.370 -0.425 5 20 GBBD CS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733050471 NWLUMWGIRPNCLD-NSHDSACASA-N 377.400 -0.176 5 20 GBBD O=C1CC[C@H](N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C(=O)N1 765962628 USCFEMMPLUTMBJ-ZDUSSCGKSA-N 382.398 -0.294 5 20 GBBD C[C@@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)n1cccn1 815974575 JYZUTOWZVKVBKD-JTQLQIEISA-N 396.385 -0.289 5 20 GBBD CS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCNC(=O)C2)cc([N+](=O)[O-])c1 920703967 BPDFOKFQWAKHDM-UHFFFAOYSA-N 385.354 -0.887 5 20 GBBD C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218974 PWRVPWXKWSEVBZ-XWUBHJNHSA-N 381.389 -0.848 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-])c1c[nH]c(=O)cn1 1796852651 OGDXJQHMOMQCQH-ILWJIGKKSA-N 387.356 -0.033 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848164558 PAJUBGGIXVFFLQ-SWHYSGLUSA-N 378.389 -0.482 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 267901144 YINHFDNGUZXSDL-UHFFFAOYSA-N 396.422 -0.671 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 272395960 MAWIVDHIKBNZKZ-CHWSQXEVSA-N 385.398 -0.472 5 20 GBBD COC(=O)[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)O 274391241 VNFKEBUVJPZXDL-JVXZTZIISA-N 376.343 -0.433 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 275179313 WISJKMIBTZEVKB-JTQLQIEISA-N 378.384 -0.224 5 20 GBBD O=C(N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@]1(O)CCOC1 413042475 YYKQUWJAMOVQMW-HNNXBMFYSA-N 385.398 -0.421 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1N 423366270 CJPVSAKGUDNTSJ-WFASDCNBSA-N 389.412 -0.315 5 20 GBBD O=C(O)[C@@H]1Cn2c(O)nnc2CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 424397638 ZRMZLKFNSWZCGE-JTQLQIEISA-N 383.342 -0.309 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 429746781 IPLONUDMFOLXBE-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD Cc1[nH]nc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] 500850148 ZSGFRIUKIZSURV-LLVKDONJSA-N 387.418 -0.107 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1(CO)CCOCC1 545499879 HTDZLUGRRJJBSR-UHFFFAOYSA-N 387.414 -0.079 5 20 GBBD CC(C)c1[nH]nc(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] 600729962 BWECXOBPSXSHLO-VIFPVBQESA-N 375.407 -0.169 5 20 GBBD CS(=O)(=O)CCCS(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 737161707 CNYVGXCQCYCJKT-UHFFFAOYSA-N 391.387 -0.082 5 20 GBBD Cc1c(C(=O)OCCn2ccc([N+](=O)[O-])n2)cnc2c1c(=O)n(C)c(=O)n2C 748416936 RFDWDHRDDFIHGS-UHFFFAOYSA-N 388.340 -0.098 5 20 GBBD O=C(CO)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 778404811 VNQLOECFPWGDSG-UHFFFAOYSA-N 378.385 -0.292 5 20 GBBD CN1CC[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)S1(=O)=O 842737027 JEUDOAJSQWBVAX-SNVBAGLBSA-N 381.363 -0.427 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCC(=O)N1CCN(C(=O)C2CC2)CC1 1319597689 SGGGCDOHIRCOGL-UHFFFAOYSA-N 392.368 -0.620 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 1799478051 XXSVNABLMJWZCB-USZNOCQGSA-N 392.416 -0.233 5 20 GBBD C[C@@]1(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCS(=O)(=O)C1 9084964 ROIRESWIMLMSJV-OAHLLOKOSA-N 381.366 -0.116 5 20 GBBD O=C1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 264831590 ADROOQZXXKXOLT-CYBMUJFWSA-N 382.398 -0.294 5 20 GBBD COCCN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O 271184977 IVRBQRBQBOGDHA-UHFFFAOYSA-N 390.352 -0.492 5 20 GBBD CN(CC(=O)NCC(=O)NCC(F)F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 280223790 LMGOOQDJZIONEO-UHFFFAOYSA-N 394.356 -0.287 5 20 GBBD COCCN(CCN(C)C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280997187 QXTNRZCJWRRACC-UHFFFAOYSA-N 388.446 -0.090 5 20 GBBD C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H](C)CO 297708114 IUWDEAPFKWBKAS-CHWSQXEVSA-N 395.416 -0.771 5 20 GBBD NS(=O)(=O)c1cnn(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 299584738 VPMHVAHLUFQSOZ-UHFFFAOYSA-N 394.413 -0.213 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)Cc2c([N+](=O)[O-])ccc(OC)c2F)CC1 412324784 PXMDBNBDXQTQIJ-UHFFFAOYSA-N 390.393 -0.107 5 20 GBBD O=C(NCCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 489537807 IWIFSXYFLHTZDR-GFCCVEGCSA-N 375.341 -0.523 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)NC)c([N+](=O)[O-])n1 533637192 CREAOGFNKCFLTB-VIFPVBQESA-N 381.436 -0.487 5 20 GBBD O=C(CO)N1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 594766526 DHKUHMSUYRCERM-UHFFFAOYSA-N 380.382 -0.032 5 20 GBBD NS(=O)(=O)c1c(N2CCN(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] 603929684 XGUVQHVPSNLOBG-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD CCn1c(=O)c2ccccc2n(CC(=O)OCCn2cnc([N+](=O)[O-])n2)c1=O 749075873 FHMQUGAVMIMOAC-UHFFFAOYSA-N 388.340 -0.074 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)[C@H]1CCCOC1 780606663 XQCIBWLYHKGCRY-VIFPVBQESA-N 397.365 -0.184 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H](O)c1cnn(C)c1 817643308 MEBGJPXYGRMYCD-CQSZACIVSA-N 397.413 -0.201 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 1329130495 OJQGSDKKFHTVOH-ZIAGYGMSSA-N 399.425 -0.476 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1591678715 KHLGPBVERHUOJK-UHFFFAOYSA-N 396.433 -0.236 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1F)C2 1794001234 QTPONFDMDWWURB-KHTVDDERSA-N 381.364 -0.261 5 20 GBBD CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840209657 WGVJOOCDAMXVGJ-ZBEGNZNMSA-N 397.388 -0.577 5 20 GBBD N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1842907717 LQPHNWJJKVBYDT-UHFFFAOYSA-N 376.373 -0.155 5 20 GBBD NC(=O)c1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1848298381 CZBLZKAXLYUXET-QWRGUYRKSA-N 399.367 -0.059 5 20 GBBD Cn1cc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 15335492 RNFNNAUCIKLLPY-UHFFFAOYSA-N 383.386 -0.617 5 20 GBBD Cn1c(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)cc(=O)n(C)c1=O 106280253 DTCSJOMEDGSBSH-QGZVFWFLSA-N 387.352 -0.041 5 20 GBBD COC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 262222895 PIRUZAAZHLUBHO-ZDUSSCGKSA-N 386.430 -0.290 5 20 GBBD COC(=O)[C@@H]1COCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 267690085 HPIUMVWKBXEBBT-NSHDSACASA-N 377.309 -0.409 5 20 GBBD NC(=O)N[C@@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 273593633 UYUGZRRTFNWPGK-SNVBAGLBSA-N 385.402 -0.179 5 20 GBBD COCC[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 281570460 LKKXXAXPHXRMFL-NSHDSACASA-N 375.403 -0.271 5 20 GBBD COCCN(C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422283592 GONYWNHZMRPIQT-UHFFFAOYSA-N 394.432 -0.667 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 425092223 QOCFOFXQSLKCMP-GFCCVEGCSA-N 398.397 -0.521 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](CO)O1 459845269 IJBLPAHOYLTQHA-ZIAGYGMSSA-N 392.412 -0.148 5 20 GBBD CCNC(=O)NCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 484438227 MSHUMFMJCIHANB-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD CN(C)CCOCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 581627277 CQRWXOFWOZUMOO-UHFFFAOYSA-N 393.444 -0.062 5 20 GBBD NC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)nc1 593529099 VKLLLJOKEHMITN-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCNS(=O)(=O)Cc2ccccc2)c1 818958623 SJEZZWUHOGGYAK-HNNXBMFYSA-N 383.430 -0.139 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 848589759 NIOXNAJQPWVGHX-UHFFFAOYSA-N 383.329 -0.012 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 1323359887 CYKHHEFZLJYQGW-CQSZACIVSA-N 378.385 -0.383 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 1324832201 XNGPKEVQYDKTFD-UHFFFAOYSA-N 392.412 -0.087 5 20 GBBD O=C(Cn1cnnn1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415667 NPRVNLNOXKUXBH-OAHLLOKOSA-N 390.360 -0.947 5 20 GBBD NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1783152126 WURPBAGNBWKRNF-MRXNPFEDSA-N 380.357 -0.103 5 20 GBBD NC(=O)c1ncccc1C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1842156864 VKDJHYFUSMPJSQ-UHFFFAOYSA-N 399.367 -0.057 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1NCCS(=O)(=O)N1CCSCC1 264366132 BZHMZWJTXWJBMG-UHFFFAOYSA-N 375.432 -0.121 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1O 274660164 DKUQXKYFKQPFPU-LBPRGKRZSA-N 378.385 -0.037 5 20 GBBD CCN(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 274873047 ZSBGZBRXQPFLLF-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 276998256 CVQUAYWEAQEHIV-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD CO[C@H]1C[C@H]2C(=O)N(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)N2C1 372953790 IRTPHBZAOOLQDW-JQWIXIFHSA-N 398.397 -0.075 5 20 GBBD NCC(F)(F)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420182163 ZELPUZACFPNYMF-UHFFFAOYSA-N 399.354 -0.411 5 20 GBBD Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])C[C@H]2N)cn1 424547286 KCVZCIBZRNNMIV-LSDHHAIUSA-N 386.412 -0.060 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 447916380 OYODASJQZWIHBZ-JTQLQIEISA-N 380.313 -0.765 5 20 GBBD CN1C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 450619534 XKCDNQQTUQKMSK-STQMWFEESA-N 397.413 -0.791 5 20 GBBD Cn1cnnc1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 486293450 PERIBLWXFBUMDJ-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD COC(=O)CNC(=O)c1ccc(N[C@H]2CCCN(CCO)C2=O)c([N+](=O)[O-])c1 509619999 QNXXSMUWQDEJQA-ZDUSSCGKSA-N 394.384 -0.107 5 20 GBBD Cn1cc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 541730946 IAXCANYOKAXWCX-UHFFFAOYSA-N 381.370 -0.143 5 20 GBBD Cn1cnnc1N1CCN(S(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])CC1 593942668 WFSLXSZASVLRFY-UHFFFAOYSA-N 396.385 -0.068 5 20 GBBD CCn1cc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 595756577 IRSHPLVEOXIYRC-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD CCNC(=O)CN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 604249418 UXTQERKMGLVJJC-UHFFFAOYSA-N 387.418 -0.361 5 20 GBBD Cc1c(C(=O)NC[C@@H](C)S(C)(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 611091068 PDPMSIFSCVDMAP-SSDOTTSWSA-N 379.416 -0.286 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)CN1CCCS1(=O)=O 789488911 KGHJILZEWGIXKW-UHFFFAOYSA-N 377.400 -0.256 5 20 GBBD O=C1COC[C@]2(CNc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])COCCN12 1607047633 ALTZEBXERWHMNQ-HNNXBMFYSA-N 375.345 -0.185 5 20 GBBD NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419396 MJMHIFWYFUOOEQ-MRXNPFEDSA-N 379.373 -0.368 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 14737452 RZTBNADIFJANHD-SNVBAGLBSA-N 391.427 -0.481 5 20 GBBD C[C@@H]1CS(=O)(=O)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 266049546 UJDCYGWZNLXOAK-SECBINFHSA-N 381.366 -0.164 5 20 GBBD C[C@@H]1OCC[C@H]1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 276016148 JUXKJBMKJUEPKG-GXFFZTMASA-N 393.443 -0.030 5 20 GBBD Cc1cc(C)c(S(=O)(=O)NCCNS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 296211617 WMAVFHMRJHXJEQ-UHFFFAOYSA-N 380.448 -0.114 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCS(=O)(=O)NC(C)C 299410380 GYAKYQCTBQEACA-UHFFFAOYSA-N 388.402 -0.014 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 299571664 GZOVJAZGYVDFOH-OLZOCXBDSA-N 399.425 -0.049 5 20 GBBD O=C(N[C@@H]1CCNC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419881123 LDBSBGPQIFUIHX-CYBMUJFWSA-N 375.385 -0.643 5 20 GBBD CNC(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 443621618 VYJSGMHPMJLYOL-UHFFFAOYSA-N 392.416 -0.716 5 20 GBBD O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 446738519 IRASNOVVFUTXFY-CYBMUJFWSA-N 396.425 -0.034 5 20 GBBD CC[C@H](C)[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NCCN1CCOCC1 501209580 OEBUJSCZWGJPNT-GXTWGEPZSA-N 396.448 -0.079 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 513316711 GOXLPLXGNGDMKX-UHFFFAOYSA-N 383.386 -0.185 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](C)CO 576602842 FQBCWIWDTDYOQU-OLZOCXBDSA-N 395.416 -0.771 5 20 GBBD COC(=O)COCCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 599442857 CWFVVTWKIDQUFR-UHFFFAOYSA-N 376.343 -0.151 5 20 GBBD CS(=O)(=O)NCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609514998 AXRWNXPXJWCFKW-SECBINFHSA-N 390.443 -0.074 5 20 GBBD COC(=O)[C@@H](Cn1ccnc1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 788605403 QJDULQGQBSEQAC-CYBMUJFWSA-N 375.341 -0.121 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 801835407 MDOHUTALPOFTMT-UHFFFAOYSA-N 389.409 -0.377 5 20 GBBD Cn1nnc2c(=O)n(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cnc21 842587560 BDJDAEUZHXNVJT-UHFFFAOYSA-N 398.383 -0.218 5 20 GBBD COCCOC[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1323160309 UCEHISWWDHYTMW-CYBMUJFWSA-N 395.416 -0.194 5 20 GBBD Cc1c(Cn2c(=O)c(-c3nn[nH]n3)c(C)n(CCO)c2=O)cccc1[N+](=O)[O-] 1591821895 UXMSUZWRLRBYNN-UHFFFAOYSA-N 387.356 -0.244 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1592937949 RNCCPPHONRKNAL-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD CC(=O)NC(C)(C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998771 QAOFFVVDHSKLQT-UHFFFAOYSA-N 392.416 -0.091 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843352427 GCJHGKDALNUHSG-UHFFFAOYSA-N 389.328 -0.350 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1 52392768 MLBXQOPAIBWCSL-GFCCVEGCSA-N 397.457 -0.158 5 20 GBBD CNC(=O)CCN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 264796802 SNSJRIJAJQDGGW-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCN2C(=O)CCC2=O)cc1[N+](=O)[O-] 265062626 WTZZKXYRCQODKI-UHFFFAOYSA-N 378.341 -0.402 5 20 GBBD O=C(C(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCC1 270581467 QULGOXKBRBWJBP-UHFFFAOYSA-N 377.401 -0.477 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 274673938 KJSKLXPMQPHIJQ-LSDHHAIUSA-N 383.426 -0.561 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] 281577065 WBXRZULANJUKRR-ZCFIWIBFSA-N 376.322 -0.349 5 20 GBBD O=C(CN1CCNCC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 429681799 LVZLWGYWGHDOGD-UHFFFAOYSA-N 381.414 -0.628 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 437251578 NORMKTZZHKQZCA-UHFFFAOYSA-N 380.401 -0.005 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1C(=O)CCCC1=O 465168990 YDUOZVZOGHCEGS-UHFFFAOYSA-N 388.336 -0.154 5 20 GBBD CN1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 545862593 XMTLYRWPMBJGCL-HNNXBMFYSA-N 386.430 -0.554 5 20 GBBD CO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](CN)C1 570928501 JZYDHKRIDFKJKF-NEPJUHHUSA-N 386.430 -0.162 5 20 GBBD COCCN(C)CCN1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1=O 574171317 MAJPYTPBOPIXPL-NSHDSACASA-N 380.405 -0.519 5 20 GBBD CNc1nccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1[N+](=O)[O-] 594368808 PJNZVZCOVLWANP-UHFFFAOYSA-N 392.460 0.558 5 20 GBBD C[C@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 824705515 CGODIMYDKGOFMM-JTQLQIEISA-N 397.417 -0.538 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 854833821 NBNCKAQTJQPCKD-UHFFFAOYSA-N 380.404 -0.082 5 20 GBBD CN(CCCNC(=O)COC(=O)c1cc([N+](=O)[O-])cn1C)S(C)(=O)=O 919026981 LUCHBHCIKZHHHU-UHFFFAOYSA-N 376.391 -0.512 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCNS(C)(=O)=O 1116129846 NLDJZPNPVBJIPP-SNVBAGLBSA-N 376.439 -0.165 5 20 GBBD COC(=O)CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1116982927 GPMXPCLIAMYPNR-UHFFFAOYSA-N 379.373 -0.292 5 20 GBBD Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2COCCN2)c([N+](=O)[O-])c1 1331583621 JDCWKMCSXGERIP-CYBMUJFWSA-N 379.417 -0.074 5 20 GBBD Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)o1 1592337427 XUFVRAIPJTWVSD-UHFFFAOYSA-N 388.348 -0.383 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1592967159 KFLLWARUHNGAER-UHFFFAOYSA-N 387.360 -0.903 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796403697 OKBHTWQHFMRSRP-DABQJJPHSA-N 392.416 -0.383 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008981 WJXXMYWATSQJST-ORXSELOVSA-N 394.388 -0.967 5 20 GBBD COc1cc(CCNC(=O)C(=O)N2CCNC(=O)C2)c([N+](=O)[O-])cc1OC 284513012 YVBGWAZEXRUDBR-UHFFFAOYSA-N 380.357 -0.771 5 20 GBBD CN(C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(S(C)(=O)=O)C1 297654720 BISDKAKKFYNORN-NSHDSACASA-N 398.397 -0.005 5 20 GBBD CNc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] 471318082 CEQUDXUANACHJB-KBPBESRZSA-N 398.441 -0.448 5 20 GBBD CCOC(=O)C1(O)CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 532853150 JOZMVQKFNBAAGR-UHFFFAOYSA-N 376.391 -0.110 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)[C@H]1CCCOC1 544660101 NEUVYPCLTUJCLA-NSHDSACASA-N 393.443 -0.029 5 20 GBBD C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)NCCN(C)C 552309339 FPPRJECPWQLNKB-NSHDSACASA-N 393.400 -0.497 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)c([N+](=O)[O-])n1 564484154 HHBYMPSEXQJCJD-VIFPVBQESA-N 399.389 -0.175 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@@H]12 596498987 JQSFCNDVJMGVIZ-XRNSZHNASA-N 391.427 -0.510 5 20 GBBD CCN1CCN(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C(=O)C1=O 609837685 BPAUWRLZPYPLIN-LBPRGKRZSA-N 390.400 -0.307 5 20 GBBD O=C(O)[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 615778815 ZWNSMSJRQGNGIB-VXGBXAGGSA-N 387.370 -0.379 5 20 GBBD CC[S@@](=O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 735111261 NAKZROXDBFDGHU-XMMPIXPASA-N 392.459 -0.059 5 20 GBBD CCOC(=O)C1=C(COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1C 748485793 OIAYSJHAYNXIBO-SECBINFHSA-N 394.340 -0.182 5 20 GBBD O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781948507 BOTQHARDLAPCRQ-HNNXBMFYSA-N 396.425 -0.066 5 20 GBBD NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 826392283 SORCGPWMVXUUFE-SSDOTTSWSA-N 382.362 -0.794 5 20 GBBD O=C(NCCCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 826437008 SOXAZGQQZBBZHT-UHFFFAOYSA-N 376.377 -0.115 5 20 GBBD O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 831960502 BRDCOYJXPKLDEH-UHFFFAOYSA-N 384.349 -0.001 5 20 GBBD CN1C[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O 1328699735 BMTWKPROWGZHAA-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1=O 1342056535 SEDQAROPNWUQAQ-UHFFFAOYSA-N 394.384 -0.593 5 20 GBBD CCOC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CC1 1604378207 GIBNHJGASUHIRE-UHFFFAOYSA-N 379.337 -0.728 5 20 GBBD Cc1cc(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)cc([N+](=O)[O-])c1F 1607703785 FKCLDPFERRWNMG-JTQLQIEISA-N 375.334 -0.042 5 20 GBBD COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798744115 ZCKZZPRHJPBREF-DDFAGTSDSA-N 382.373 -0.255 5 20 GBBD CCOC(=O)CN(C)C(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264637458 WVTIGYRQCSSHIU-UHFFFAOYSA-N 375.359 -0.358 5 20 GBBD CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 265880922 QSUQPGKTUQCPAB-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 271728123 ORMFIMMHVHCSPW-UHFFFAOYSA-N 393.400 -0.050 5 20 GBBD CCS(=O)(=O)N1CC(CNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 438992342 QXCHGSOJDJUVBM-UHFFFAOYSA-N 398.397 -0.100 5 20 GBBD COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCn1cc([N+](=O)[O-])cn1 440243414 NXTRURSSIWBAGQ-NDBYEHHHSA-N 395.372 -0.074 5 20 GBBD COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 444436868 NIXXADDRNDIVDH-MLGOLLRUSA-N 393.352 -0.155 5 20 GBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 474532502 DXQJCQBVORBPIW-GTNSWQLSSA-N 389.368 -0.181 5 20 GBBD NC(=O)c1ccc(SCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 490860780 UAMSLBTWZTVIHF-JTQLQIEISA-N 393.381 -0.452 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 491036469 OCRJLLHELXCWFP-UHFFFAOYSA-N 398.401 -0.430 5 20 GBBD Cc1c(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 534493863 VPDMVMUOXNGBEQ-GFCCVEGCSA-N 380.386 -0.013 5 20 GBBD CO[C@@H]1CN[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 567892467 ACGGZQFBABABGT-DZGCQCFKSA-N 398.441 -0.195 5 20 GBBD COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 577462189 WIFBNFFIXHESDR-VIFPVBQESA-N 379.416 -0.192 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 582185287 FDKFBQKUUNLVFJ-VIFPVBQESA-N 379.416 -0.084 5 20 GBBD COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 583420127 NOCHRGZJIJXLDW-AWEZNQCLSA-N 387.414 -0.112 5 20 GBBD COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 600297292 ZQWJAAPNUKVBEX-CQSZACIVSA-N 387.370 -0.354 5 20 GBBD CC(=O)NCCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609742184 DHQYZGJGEMSZDY-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD COc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)ccc1[N+](=O)[O-] 849432955 CIEJWJJVZWANBL-SKDRFNHKSA-N 380.400 -0.306 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O 1117347698 SOSXQCWDQGZUHI-LBPRGKRZSA-N 398.441 -0.254 5 20 GBBD CN(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786720111 SHKGEUOIWLBPDI-OBJOEFQTSA-N 394.432 -0.137 5 20 GBBD Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792353442 XZNDIYAMPUGSNZ-WDAIWFPHSA-N 390.356 -0.167 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cnoc1 1796526718 SJKQVHYNYURYEY-PEGIJTEDSA-N 376.329 -0.177 5 20 GBBD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798743515 ITSDLHKKQAUJSQ-KEODLESXSA-N 379.373 -0.738 5 20 GBBD C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799486184 ANOMVEUATWYRFQ-BTABJRDXSA-N 379.369 -0.116 5 20 GBBD NCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1835541521 DIECJUJKLCBRLY-SFHVURJKSA-N 392.412 -0.448 5 20 GBBD O=C([C@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828716 NDTACKMQDNEFLL-HNNXBMFYSA-N 393.400 -0.610 5 20 GBBD CC(=O)N(C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848020638 VFITWINWEVTVKP-GJZGRUSLSA-N 392.416 -0.139 5 20 GBBD Cc1c(C(=O)NCCCN2C(=O)CCC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 266095116 FXNGYNYDYUUOLH-UHFFFAOYSA-N 398.397 -0.180 5 20 GBBD COc1cc(S(=O)(=O)NCCOCCS(C)(=O)=O)ccc1[N+](=O)[O-] 268245542 IQBKFMJKMIITLI-UHFFFAOYSA-N 382.416 -0.057 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c(C)c([N+](=O)[O-])c1 276810628 DQKNYEIPXVIJDQ-LBPRGKRZSA-N 394.340 -0.659 5 20 GBBD CNC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 292330279 NLTDUMIBZJTIJM-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)c(C)c([N+](=O)[O-])c1 293434297 QSVDQWSNDPJSHD-LBPRGKRZSA-N 397.340 -0.067 5 20 GBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 366802614 XCYALELHPKQMEC-NSHDSACASA-N 394.203 -0.032 5 20 GBBD NS(=O)(=O)[C@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 369886734 GSJHOTVSQCUUMP-VIFPVBQESA-N 396.381 -0.530 5 20 GBBD O=C1NCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 596642128 GDLAUIUWHWOSKB-ZDUSSCGKSA-N 382.398 -0.436 5 20 GBBD CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 597574947 USSMREQEOAKCDU-OAHLLOKOSA-N 386.430 -0.229 5 20 GBBD O=C(O)CNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 768496602 MJTUMQHCVSSPFL-UHFFFAOYSA-N 396.175 -0.164 5 20 GBBD C[C@H](C(=O)N[C@@]1(C(=O)O)CCOC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 825993985 BQXAKIAYZWSXNR-BCTVWOGZSA-N 377.309 -0.061 5 20 GBBD C[S@](=O)CCNC(=O)c1cc(C(=O)NCC[S@](C)=O)cc([N+](=O)[O-])c1 1320232528 MNTNPZBUQOHDJO-DQEYMECFSA-N 389.455 -0.189 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NCCN2CCCOCC2)c1 1607080649 YRWMSYATJJBBLP-UHFFFAOYSA-N 397.417 -0.225 5 20 GBBD COCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792841165 TXDIHBMOKYSKHL-PTEHBNRSSA-N 381.389 -0.052 5 20 GBBD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1)n1cnnn1 1844413095 VRCDUIGLJHCJHM-SECBINFHSA-N 375.349 -0.617 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 265589188 PBJNVYPRZDATAD-UHFFFAOYSA-N 392.332 -0.733 5 20 GBBD Cc1c(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cccc1[N+](=O)[O-] 267318783 AQXQGCFAFFSMQZ-UHFFFAOYSA-N 399.429 -0.726 5 20 GBBD COc1cc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 414462381 UKMJXAPEDVALJT-UHFFFAOYSA-N 393.443 -0.388 5 20 GBBD CNc1nc(C(=O)N(CCN2CCOCC2)CC(=O)OC)ccc1[N+](=O)[O-] 455572654 JNHHXMCBYGVSKL-UHFFFAOYSA-N 381.389 -0.021 5 20 GBBD COC(=O)c1cnc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 477724775 PWLYJKSNPVOYDU-SNVBAGLBSA-N 386.386 -0.484 5 20 GBBD COC(=O)c1cn(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nn1 501308903 OPGIQGALMCNJGL-UHFFFAOYSA-N 386.328 -0.016 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 517759758 VIYCBAQNHRUWHQ-NWDGAFQWSA-N 391.384 -0.298 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 560644119 TWDWGUKEEMPWAM-AWEZNQCLSA-N 376.369 -0.547 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCN2CCNCC2)CC1 566562091 DAFCSHNIACFWHT-UHFFFAOYSA-N 383.474 -0.194 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 594821642 ICBXZKVFGOKUPU-YPMHNXCESA-N 378.428 -0.131 5 20 GBBD Cc1nn(CCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1[N+](=O)[O-] 608804158 QTMHHABZFOQCGK-UHFFFAOYSA-N 388.450 -0.251 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cnccn2)cc([N+](=O)[O-])c1 758556169 BTGBTHISFJLUIO-UHFFFAOYSA-N 386.367 -0.093 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCc1nnnn1CC1CCOCC1 768647885 ANZYHFVBNKGWTG-UHFFFAOYSA-N 378.345 -0.087 5 20 GBBD NC(=O)CC1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 795273808 HCSPRQFSOVNHHA-UHFFFAOYSA-N 384.414 -0.073 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 813947233 CVSUAZVILGFGBF-UHFFFAOYSA-N 388.406 -0.949 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNc1ccc(-c2nn[nH]n2)nn1 826500690 IBMGHCSJPONFOS-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD O=C(O)CNC(=O)c1ccc(N2CCC(C(=O)NCCO)CC2)c([N+](=O)[O-])c1 833252685 WAESXLXLOAEFPE-UHFFFAOYSA-N 394.384 -0.266 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCn1cnnn1 845575384 OWWHPLUIULXWCR-UHFFFAOYSA-N 383.390 -0.286 5 20 GBBD Cn1c(-c2n[nH]cc2[N+](=O)[O-])nnc1N1CCN(CC(=O)N2CCCC2)CC1 1345899652 FKEANAICORUCQF-UHFFFAOYSA-N 389.420 -0.142 5 20 GBBD COCC(=O)NCCN1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1605039761 UACOMOBYEQSULD-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793395759 RHUVDXZCGQVKCC-BPJKLTAVSA-N 395.416 -0.072 5 20 GBBD CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794003614 LNQJXDBKQXSEIQ-FAXLKDOZSA-N 394.432 -0.621 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C1CCOCC1 1795326811 ISNVUKBYHSDUIV-DABQJJPHSA-N 393.400 -0.052 5 20 GBBD O=C(NCC(=O)N1CC[C@@H](N2CCNCC2)C1)NCc1ccc([N+](=O)[O-])cc1 262327964 GFYOLZUIRQTGQP-MRXNPFEDSA-N 390.444 -0.100 5 20 GBBD O=C(C(=O)N(CCO)CC(F)F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297930098 YLUUPDOQACJYLC-UHFFFAOYSA-N 387.343 -0.276 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCCOCCO)c([N+](=O)[O-])c1 298296055 CXQNKYSVQIQNGM-UHFFFAOYSA-N 376.391 -0.831 5 20 GBBD C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516810596 IMWOVRCPKMQMEN-KPHLJTLVSA-N 383.430 -0.478 5 20 GBBD CC(C)NC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 517579214 CBAJCQASOSAQND-UHFFFAOYSA-N 385.446 -0.111 5 20 GBBD COC(=O)Cn1cc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 575174394 CZYKERLLEZOTOD-UHFFFAOYSA-N 383.386 -0.077 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCn1cccnc1=O 582675286 DGSAWUABOYBDOS-UHFFFAOYSA-N 395.397 -0.364 5 20 GBBD NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 586810220 KFEBQUGNSPNUMG-UHFFFAOYSA-N 380.386 -0.072 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCNC1=O 591173839 BOSZMEQPLFIIFG-NSHDSACASA-N 384.414 -0.094 5 20 GBBD NS(=O)(=O)CCN1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 822894772 FWVLOXJYNXOZOX-UHFFFAOYSA-N 382.406 -0.815 5 20 GBBD Cn1cc(S(=O)(=O)NCCOC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 838285924 PVILXFLKUNNKOB-CYBMUJFWSA-N 384.370 -0.117 5 20 GBBD CN(CC(=O)N1CCCN(C=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 847371208 NSLVLIPAPGMUGT-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD Cn1c(=O)c2c(ncn2CCOC(=O)c2ccnc(N)c2[N+](=O)[O-])n(C)c1=O 848787712 SIWSOGCGOYJLSK-UHFFFAOYSA-N 389.328 -0.824 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 853668167 WTDHLEAGSWMBAZ-UHFFFAOYSA-N 379.420 -0.210 5 20 GBBD COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 1325115475 NXRGHFFEYFFZDR-UHFFFAOYSA-N 391.384 -0.190 5 20 GBBD O=C(C(=O)N1CCC[C@@H]1CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1328350207 GSHNDPILGQNUFD-OAHLLOKOSA-N 390.396 -0.138 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 1591023464 OSZRYYNFFUARCS-UHFFFAOYSA-N 397.421 -0.715 5 20 GBBD Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798744882 PQGHYJMRUXOIMO-WDAIWFPHSA-N 389.372 -0.432 5 20 GBBD CNC(=O)c1ccc(N2CCN(CC(=O)NCCOC)CC2)c([N+](=O)[O-])c1 53553536 RYRCBQDEUIGEKK-UHFFFAOYSA-N 379.417 -0.161 5 20 GBBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1C 269129872 HXHDRSUXOLRANQ-NSHDSACASA-N 382.398 -0.457 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)O 275085865 ZPTXVLVYXSZSTB-UHFFFAOYSA-N 381.388 -0.026 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 363867570 LOQUNCIZCYENPD-NSHDSACASA-N 378.389 -0.765 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@H]1CO 364029645 NMCBDUZYPGECCD-NWDGAFQWSA-N 388.402 -0.990 5 20 GBBD COC(=O)Cn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)nn1 441881363 HVIUYCBJUCTUCT-UHFFFAOYSA-N 385.358 -0.154 5 20 GBBD CCc1[nH]nc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[N+](=O)[O-] 444158885 UZHTZZZVLFSEGN-MNOVXSKESA-N 387.418 -0.892 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCn2nncc2C1 521898238 VUNWQYNDRFPNNS-UHFFFAOYSA-N 380.386 -0.103 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)NC)c([N+](=O)[O-])n1 533637190 CREAOGFNKCFLTB-SECBINFHSA-N 381.436 -0.487 5 20 GBBD CN(C)C(=O)NCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 537511062 CFIIJMHGCRFVAU-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 542754777 KYLYYSNORLWDGB-MRVPVSSYSA-N 384.461 -0.150 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 591582360 ANGZKKWTPGCAFQ-OCCSQVGLSA-N 392.416 -0.787 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CCN2C1=O 596159126 LQNYBWYXZUHGNK-NSHDSACASA-N 383.386 -0.285 5 20 GBBD Cn1ccc(NC(=O)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 597573110 ZKNLUMILNCXLCV-UHFFFAOYSA-N 389.372 -0.118 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 598910796 NYZFGOAXBNFMQY-ONGXEEELSA-N 392.324 -0.392 5 20 GBBD CCOC(=O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCOCC1 599267174 SKGOMWFVGGWRKW-NSHDSACASA-N 376.391 -0.035 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N=c1cc[nH]cc1-c1nn[nH]n1 737878388 QAPZSOBNUCRKJB-UHFFFAOYSA-N 396.323 -0.044 5 20 GBBD C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC1=O 748380335 RWLVDPZIJXSXMC-SNVBAGLBSA-N 393.356 -0.123 5 20 GBBD O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 804586159 RVPNVBPJPWMSOW-QWHCGFSZSA-N 386.386 -0.217 5 20 GBBD CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCNC1=O 1327218340 GXDFYEQZUWOAQE-CQSZACIVSA-N 375.385 -0.410 5 20 GBBD NC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829162464 LHRMKJVQMVSEPU-STQMWFEESA-N 393.448 -0.163 5 20 GBBD C[C@H](Cn1cncn1)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 263682287 DXJPKBQCGOWGGW-LLVKDONJSA-N 397.417 -0.148 5 20 GBBD O=C(CN1CC[C@H](O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 265221611 NSPVYZYLGVSHNZ-AWEZNQCLSA-N 398.441 -0.506 5 20 GBBD C[C@@H](CO)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 267177175 JNMTXTWIVKSFJM-LBPRGKRZSA-N 388.446 -0.002 5 20 GBBD COCCn1c(N)c(C(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)c(O)nc1=O 271176968 LKMSWCSAHGJEHU-UHFFFAOYSA-N 399.747 -0.216 5 20 GBBD CN1CCC(O)(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 474987549 RUBNPXUNPNRXGY-UHFFFAOYSA-N 379.417 -0.033 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 484865056 ORCRWDRRWOBJLY-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nccn4nnnc34)CC2)c1 531140514 FWICYUIOBFSDJP-UHFFFAOYSA-N 390.385 -0.062 5 20 GBBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1CN2CCCN1CC2 565093354 JBSGLIOWCLPPKC-INIZCTEOSA-N 385.428 0.456 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNS(=O)(=O)N2CCCOCC2)cc1 593575591 IGRMGXMLBPDZOI-UHFFFAOYSA-N 393.443 -0.075 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(O)CNC2)CC1 595929391 HNLQHGGNJXFZFQ-UHFFFAOYSA-N 384.414 -0.930 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] 597999383 WBLHXMHVMMLFJR-QGZVFWFLSA-N 397.384 -0.383 5 20 GBBD CC(C)NC(=O)CN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598590150 RGEBEJLFHBXGFU-UHFFFAOYSA-N 393.448 -0.132 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)Cc1ccon1 747182394 LWSDKDUGDKBPKO-UHFFFAOYSA-N 396.337 -0.046 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 768881137 GIQZCVHQPDZCOA-MRVPVSSYSA-N 384.461 -0.150 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 786432877 RSWKUECNSZAGJP-AWEZNQCLSA-N 390.400 -0.410 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cnn(C)n1 817784005 IPBHPFOMULQXBE-UHFFFAOYSA-N 397.417 -0.157 5 20 GBBD O=C(COC(=O)C1(n2cnnn2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 849993012 MPHCQDNSNYUHIH-UHFFFAOYSA-N 376.285 -0.019 5 20 GBBD CCc1nn(C)c(N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1[N+](=O)[O-] 853667676 KZKATJGHFROIFG-UHFFFAOYSA-N 394.479 -0.015 5 20 GBBD O=C(Cn1ccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1794867675 ZVBYPQQSXQBKLS-PTEHBNRSSA-N 389.372 -0.582 5 20 GBBD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1800506918 SGUYJWXHHKSCQF-QHBPRCKVSA-N 380.357 -0.473 5 20 GBBD COC[C@@H](O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 265466912 OKDLZQDEMYPCOY-LBPRGKRZSA-N 388.446 -0.050 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 277592397 NQCIOTAQLUHACB-ZIAGYGMSSA-N 399.425 -0.169 5 20 GBBD CCC[C@H](O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 412507399 DNRLYCMNXBJBJG-KBPBESRZSA-N 389.430 -0.099 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](O)C1CCOCC1 525178864 CGAFPIGBSKSGBJ-CQSZACIVSA-N 387.414 -0.223 5 20 GBBD COC[C@](C)(CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 613534355 LWQRZYXDULNMNX-AWEZNQCLSA-N 375.403 -0.223 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 755676207 AZUIQFZGMHHOEW-UHFFFAOYSA-N 392.324 -0.377 5 20 GBBD NC(=O)C(NC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(N)=O 769756602 PVTJXXMGYGYMCB-UHFFFAOYSA-N 392.109 -0.732 5 20 GBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 823127093 SMJQJUMHPWKUOO-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD O=C(O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 852958767 RYZZHYLROVZCKD-GMSGAONNSA-N 393.278 -0.086 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1325514016 ICSAXNHFTAMXQV-UHFFFAOYSA-N 396.425 -0.513 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1325593158 DGJKRCKLJIJVNS-UHFFFAOYSA-N 377.401 -0.462 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N(CCN1CCOCC1)CC1CC1 1328093973 QUJSBWLOGOKVLC-UHFFFAOYSA-N 394.432 -0.522 5 20 GBBD CS(=O)(=O)NC[C@@H]1COCCN1c1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] 1605358241 MCOFTRWNRPBWEW-SSDOTTSWSA-N 389.419 -0.409 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1606993257 OAQDYPPEWHFEOE-LSCVPOLPSA-N 386.372 -0.325 5 20 GBBD CCC(=O)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783085104 XAFPUYAISRYTGT-MRXNPFEDSA-N 379.373 -0.400 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2)c1cccc(F)c1[N+](=O)[O-] 1799631350 HUHGDDWTQFFXAG-BZBKMWRSSA-N 383.332 -0.752 5 20 GBBD O=C1CC(C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)C1 1846992026 AJRYFKAVCPEGOD-UHFFFAOYSA-N 388.380 -0.061 5 20 GBBD CCc1[nH]nc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1[N+](=O)[O-] 264596540 IMBAWBZFQWKJFK-UHFFFAOYSA-N 377.448 -0.011 5 20 GBBD COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] 275954979 FKLRPVGMZTVNJB-CYBMUJFWSA-N 396.400 -0.307 5 20 GBBD CC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298331113 GIFHMJQFVJRBHR-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD Cc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] 299703644 YRPBJVTYXZMKRZ-LSDHHAIUSA-N 383.426 -0.181 5 20 GBBD CNC(=O)NCCC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421992072 QLRDPRDXZIYOTI-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD CCNC(=O)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 508531469 ZYVFYHIMNZVJKX-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 539624806 PBOKXRZRHBXLDK-UHFFFAOYSA-N 399.429 -0.607 5 20 GBBD Cn1c(=O)c2c(ncn2CCSc2ncc([N+](=O)[O-])c(N)n2)n(C)c1=O 570583430 HJVDMZFWUQUJAI-UHFFFAOYSA-N 378.374 -0.494 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2C[C@@H](O)C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])c1 592003971 JLHLNWFOEOGRLL-NEPJUHHUSA-N 395.368 -0.142 5 20 GBBD CN1C(=O)CN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1=O 599065232 JGTASOBWJLOAFE-UHFFFAOYSA-N 395.397 -0.165 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 609955313 TYBMBBHNCPMWMW-ZDUSSCGKSA-N 391.384 -0.305 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)c1cc[nH]n1 796876239 MBBQYPIEKXLFOR-UHFFFAOYSA-N 381.326 -0.452 5 20 GBBD O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cn(C[C@@H]2CCOC2)nn1 860876679 RERAGWAJJZGFKR-VIFPVBQESA-N 382.358 -0.264 5 20 GBBD CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1261164758 BRDFDMWHGNRHLG-ZDUSSCGKSA-N 394.432 -0.082 5 20 GBBD C[C@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277053 VYZGNKHUDMLAPI-RVMXOQNASA-N 378.389 -0.436 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@H]1CCOC1 1801509674 MLGNEEURWSXDQW-JFILPPLUSA-N 393.400 -0.583 5 20 GBBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1802108011 XUGZTBAPKUKMTM-FNVGDTMQSA-N 391.380 -0.492 5 20 GBBD C[C@H]1CN(C(=O)COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCO1 11285227 YZTCCWAEKSYAAD-JTQLQIEISA-N 391.336 -0.019 5 20 GBBD C[C@H]1CCNC(=O)[C@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 282187981 NPRSAVOXHFVBIE-XPTSAGLGSA-N 399.429 -0.315 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 282278906 QKSADVQWHBZHJR-UHFFFAOYSA-N 386.386 -0.703 5 20 GBBD C[C@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 289977986 RMTUXLAKFZPNIC-OBJOEFQTSA-N 399.425 -0.034 5 20 GBBD COc1cc(CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)c([N+](=O)[O-])cc1OC 298803800 OZPMHSWGBWXZEF-UHFFFAOYSA-N 394.340 -0.309 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 325133243 NVFMHMFJLIWYGP-JTQLQIEISA-N 378.432 -0.211 5 20 GBBD COC[C@@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCNC1 423206739 CUDYGIAABXKYGR-OAHLLOKOSA-N 386.430 -0.385 5 20 GBBD Cc1ccc(S(=O)(=O)NCCN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)cc1 464574371 ZAAVOTGPVDZWDC-UHFFFAOYSA-N 382.402 -0.068 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(C(=O)CCOC)CC2)c([N+](=O)[O-])n1 474381036 LBCZSYAPLPMPNG-UHFFFAOYSA-N 375.407 -0.319 5 20 GBBD CN(C(=O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O)c1ccc([N+](=O)[O-])cc1 482068939 MRTQSCIHOFRKKG-LBPRGKRZSA-N 390.356 -0.415 5 20 GBBD COC(=O)[C@H](CF)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 489622226 POGFRNVCLIKCNK-NSHDSACASA-N 377.350 -0.110 5 20 GBBD CCC(CC)(NC(=O)C1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C(N)=O 504665836 MGVHBTYYJZERSS-CYBMUJFWSA-N 382.421 -0.756 5 20 GBBD CS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 531311575 UZTQAGRWXHXQFM-UHFFFAOYSA-N 384.414 -0.135 5 20 GBBD Cc1[nH]c(=NCCN2CCOCC2)[nH]c(=NCCN2CCOCC2)c1[N+](=O)[O-] 534182482 AZTHCELRIXWIKZ-UHFFFAOYSA-N 395.464 -0.975 5 20 GBBD O=C(C(=O)N1CC[C@]2(CCNC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 567645625 IRLQBAWRMSIONP-SFHVURJKSA-N 388.428 -0.150 5 20 GBBD O=C(c1cnn(C[C@H](O)CO)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 597752790 ICTRMMTZPCCDBF-ZDUSSCGKSA-N 376.373 -0.498 5 20 GBBD CC[S@](=O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 735110153 LGWIZWUGKXKSKP-DEOSSOPVSA-N 392.459 -0.059 5 20 GBBD CS(=O)(=O)CCCC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861407632 QXVHTZOPXOGNTM-UHFFFAOYSA-N 394.427 -0.071 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1318227122 GFKORYHJUUULCO-ZDUSSCGKSA-N 385.446 -0.179 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000433 YJNJGQRSFMYZIQ-LLVKDONJSA-N 378.389 -0.481 5 20 GBBD CN1CCN(CC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)CC1 1843915470 YECIQLFDACWVAX-UHFFFAOYSA-N 390.444 -0.013 5 20 GBBD CC(C)[C@@H](O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823864 XQYZGZAUNCMOEO-OAHLLOKOSA-N 392.412 -0.023 5 20 GBBD O=Cc1ccc(OCC(=O)NCCN2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 264582986 LFIRVJUYNGYABB-UHFFFAOYSA-N 385.398 -0.367 5 20 GBBD CCCCn1c(N)c(N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(O)nc1=O 266467517 RBKSPYDVBGKXBV-LLVKDONJSA-N 381.393 -0.067 5 20 GBBD COC(=O)[C@H](CO)NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 267493057 DLQPMMRFGFWVCC-JTQLQIEISA-N 376.325 -0.287 5 20 GBBD CCOc1cc(NC(=O)C(=O)NCCOCC(N)=O)c([N+](=O)[O-])cc1OCC 275995905 YEQKXPRAJCHAHW-UHFFFAOYSA-N 398.372 -0.051 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(CCC(=O)OC)CC2)c([N+](=O)[O-])n1 416376096 XQABQDACEUAFPU-UHFFFAOYSA-N 375.407 -0.319 5 20 GBBD CS(=O)(=O)C1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 456963610 BNZXSYWTKXDYAE-UHFFFAOYSA-N 377.400 -0.872 5 20 GBBD CNC(=O)[C@H](CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 460443439 AZGYJHDVWYUWQT-LBPRGKRZSA-N 388.402 -0.866 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCn3c(O)nnc3C1)OCCO2 460496737 ARLYDVTVTCSWPR-UHFFFAOYSA-N 383.342 -0.132 5 20 GBBD Cn1cnnc1Sc1ccc(C(=O)NCC(=O)NCCO)cc1[N+](=O)[O-] 476471743 NVQZKTKTPILNHN-UHFFFAOYSA-N 380.386 -0.287 5 20 GBBD O=C(CO)N1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 534063057 SRNZNHJFEMESSW-UHFFFAOYSA-N 392.368 -0.054 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 548256841 KUYHHBILJJYTRO-LLVKDONJSA-N 378.384 -0.392 5 20 GBBD O=C(O)C1(O)CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 566792052 IVLUBVXXHRYWJM-UHFFFAOYSA-N 388.354 -0.034 5 20 GBBD Cc1cc(C(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] 573400439 CFDOUWBBAKZMIX-GFCCVEGCSA-N 379.417 -0.184 5 20 GBBD C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1S(C)(=O)=O 596478769 MVZXZCITEHOZSZ-SECBINFHSA-N 378.432 -0.288 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 614503148 IGUKTYRJEYCVTK-UHFFFAOYSA-N 398.445 -0.287 5 20 GBBD CC(C)(C(=O)NS(=O)(=O)N1CCC(C(=O)O)CC1)n1cc([N+](=O)[O-])cn1 736223804 QRMKOZLADHDUOS-UHFFFAOYSA-N 389.390 -0.316 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)OCn1nnc2c(cnn2-c2ccccc2)c1=O 781236648 VCAUMWNPXFKFNO-UHFFFAOYSA-N 397.311 -0.322 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 1261165575 VCIXNIVWOWDLJV-LRDDRELGSA-N 381.389 -0.296 5 20 GBBD CN(CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)CS(C)(=O)=O 1591105916 BSGAHELSODUVEW-UHFFFAOYSA-N 383.390 -0.310 5 20 GBBD C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591778772 KJXRECDESAUVIV-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD O=C(c1cc[nH]n1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382076 DLUPDEMLFSQKTL-HNNXBMFYSA-N 375.345 -0.202 5 20 GBBD C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1789878232 YNEADJVDJCGGKB-BLFANLJRSA-N 394.388 -0.954 5 20 GBBD Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CN)ncc1[N+](=O)[O-] 1796779124 OJRZGRCRAJYNNT-RNJOBUHISA-N 376.417 -0.164 5 20 GBBD Cn1ncc2c(N3CCN(C[C@H](O)Cn4cc([N+](=O)[O-])cn4)CC3)ncnc21 174712153 WKKFLPHPMMZWHA-ZDUSSCGKSA-N 387.404 -0.349 5 20 GBBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 274674041 KMCJMUQOMNALHO-JKSUJKDBSA-N 397.453 -0.171 5 20 GBBD COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 275101188 LOEOQKNVKMPOKR-SNVBAGLBSA-N 394.383 -0.524 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCSC[C@H]1C(N)=O 276373145 OUKFERRTYVNYCY-JTQLQIEISA-N 389.411 -0.027 5 20 GBBD COC[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 279906085 GMCMRVFWMSAKDT-BXUZGUMPSA-N 387.414 -0.129 5 20 GBBD CCOC(=O)c1cc(C(=O)NCCNS(=O)(=O)N(C)C)cc([N+](=O)[O-])c1 288183520 JHLMJBJTEQIHJV-UHFFFAOYSA-N 388.402 -0.103 5 20 GBBD CCCNC(=O)CN(C)C(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 298076951 HIWAEQCUFILPIZ-UHFFFAOYSA-N 388.402 -0.394 5 20 GBBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CN(C)NC1=O 450612989 LRCBGSWHKXALSM-OLZOCXBDSA-N 395.441 -0.092 5 20 GBBD CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)NCCN1CCOCC1 481884738 XDBPWRDFYYUOPB-IUODEOHRSA-N 396.448 -0.079 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] 497563144 IZNSBKIBNQJHCO-CQSZACIVSA-N 394.384 -0.087 5 20 GBBD COc1cc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 520415505 OIAVGWLJLRJZGQ-SECBINFHSA-N 379.416 -0.084 5 20 GBBD O=C(C1=NN2CCCN=C2N1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 597701561 ZRIPVRWLVABUJV-UHFFFAOYSA-N 385.384 -0.142 5 20 GBBD C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 824705516 CGODIMYDKGOFMM-SNVBAGLBSA-N 397.417 -0.538 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)N(C)C 1118017169 JWANLZIGEIODPA-NSHDSACASA-N 378.389 -0.769 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1118181651 FEPSRAWEUSZHMU-ZDUSSCGKSA-N 376.369 -0.141 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1325600300 MGPFOECYLGWSGP-LBPRGKRZSA-N 398.441 -0.049 5 20 GBBD C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1)[C@H]1CN(C)CCO1 1589974847 SHMUNJZSPRPCQA-JOYOIKCWSA-N 397.417 -0.228 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389530 QTLYXZOBKUQMQU-QFYYESIMSA-N 394.388 -0.714 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010279 GPQYTKXMKYJVDY-DIYOJNKTSA-N 377.317 -0.782 5 20 GBBD COC[C@H](CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC 272782593 RQEGYWKIUSWNOY-NSHDSACASA-N 390.418 -0.166 5 20 GBBD CCN(CCO)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 274558483 ONJLHJKVZLVSSQ-UHFFFAOYSA-N 388.446 -0.354 5 20 GBBD CS(=O)(=O)C1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 280267015 CSNNMEMHWBLLQC-UHFFFAOYSA-N 391.427 -0.434 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCCNS(C)(=O)=O)cc1[N+](=O)[O-] 298735313 URPNYKGIUUFABD-UHFFFAOYSA-N 388.402 -0.611 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cn1cccnc1=O 421989436 NKUKJOCDUZHLEZ-UHFFFAOYSA-N 395.397 -0.412 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(S(N)(=O)=O)CC1 469418284 OYTYBOKLCFNUKT-SNVBAGLBSA-N 389.438 -0.825 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 510166434 LPJLAICLGYIESO-JTQLQIEISA-N 398.397 -0.100 5 20 GBBD C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516810597 IMWOVRCPKMQMEN-LJZMDLFKSA-N 383.430 -0.478 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)c([N+](=O)[O-])n1 611105061 DSDKUZXKVYWLQW-UHFFFAOYSA-N 381.436 -0.533 5 20 GBBD Cn1cc(C(=O)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 762740876 UXDOEPAMXHBQIP-UHFFFAOYSA-N 396.381 -0.706 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 783760425 XGFNKVRDCKQYTQ-NSHDSACASA-N 384.414 -0.048 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 801820933 SFNJGULJQIEEJA-MRVPVSSYSA-N 375.382 -0.039 5 20 GBBD CN(C)C(=O)CNC(=S)NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 918715817 HDQCULZDJSPMLQ-UHFFFAOYSA-N 376.420 -0.879 5 20 GBBD CNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 1591208904 NAJHHYYMLCLUIU-UHFFFAOYSA-N 375.393 -0.021 5 20 GBBD O=C(O)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 1605885214 BNEMGMNUBMJTCN-UHFFFAOYSA-N 392.368 -0.200 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ncccn1 1794815652 HOWZJMIZQHDOLL-JGPRNRPPSA-N 387.356 -0.375 5 20 GBBD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CC2(CCCN2C(=O)C(O)O)C1 1841235718 AMYMGIRMSGMGOV-UHFFFAOYSA-N 379.325 -0.549 5 20 GBBD COC(=O)CCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1842648418 WGDCQRBMAHCFSY-UHFFFAOYSA-N 379.373 -0.052 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)c2cc(CO)on2)C1 1844819717 YHWFQBAVKAHQSM-UHFFFAOYSA-N 390.356 -0.211 5 20 GBBD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847738139 CUCYJDVXQCTDEJ-UBHSHLNASA-N 392.416 -0.092 5 20 GBBD COCCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 264296908 YFMGGIXLSDBZLX-ZDUSSCGKSA-N 387.414 -0.191 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)N1CCSCC1 269047656 PERJBXYQJWWVOR-UHFFFAOYSA-N 392.463 -0.531 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 270950968 ZBPCKGXUQVMZAH-GFCCVEGCSA-N 378.385 -0.234 5 20 GBBD COCCS(=O)(=O)CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273238759 FCKFNHHJZNYOSN-UHFFFAOYSA-N 394.427 -0.454 5 20 GBBD CN1CCNC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 418767259 QLVBQAPBRFIFLW-CQSZACIVSA-N 390.444 -0.034 5 20 GBBD Cc1c(C(=O)N2CCN(CCO)[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 428519653 PSCVRWQGWNPZAP-JTQLQIEISA-N 386.430 -0.311 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[S@@](=O)C1 474948705 BWUKICHPADZFCM-SDWAUSNYSA-N 375.428 -0.100 5 20 GBBD O=C(CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1CCCCCC1 558353333 YGLPIEAZCDNHKR-UHFFFAOYSA-N 379.417 -0.135 5 20 GBBD CNc1nccc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 579244108 NDTSGPBNPUSJLY-NSHDSACASA-N 385.446 0.222 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 592306794 FEDNUYBFZJHIFN-FZMZJTMJSA-N 386.430 -0.162 5 20 GBBD CCn1nc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1=O 609502067 AXBPXFZHSZQNNB-UHFFFAOYSA-N 395.397 -0.120 5 20 GBBD C[C@H](NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 1322317000 VEBWYIZQPBZBMB-BBRMVZONSA-N 394.428 -0.077 5 20 GBBD COCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CC1 1793336698 NDEPSNMHSGZWQH-ZSBIGDGJSA-N 393.400 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cncnc1 1794820519 GBJNVNPAEYLPDG-ZSBIGDGJSA-N 387.356 -0.375 5 20 GBBD C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O 55138938 USKVUFSCHYVAHL-GHMZBOCLSA-N 384.414 -0.015 5 20 GBBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)NCCN(C)C 552309896 ZMAGJOLOEUFSAX-JTQLQIEISA-N 386.430 -0.206 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] 570582700 GKBYWPWHFPXTDD-SECBINFHSA-N 385.358 -0.688 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] 580215557 LWYASZWRADEVLC-OLZOCXBDSA-N 375.385 -0.710 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N2)CC1 596642847 OZMHDIJNGXERCB-GFCCVEGCSA-N 382.398 -0.375 5 20 GBBD COC(=O)[C@@H](C[C@@H]1CCCOC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599456482 MBCIAFQDVYZYDL-VHSXEESVSA-N 376.391 -0.035 5 20 GBBD Cc1c(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 610926750 LHNJSLAOQPCTFL-YGRLFVJLSA-N 386.430 0.000 5 20 GBBD Cn1ccc(=O)n(CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1=O 618922462 YKFAZOSIMJBAAN-UHFFFAOYSA-N 399.367 -0.144 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)c2c(F)ccc([N+](=O)[O-])c2F)c(=O)n(C)c1=O 752560865 AXUMPKUSMUGJQH-UHFFFAOYSA-N 398.278 -0.108 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)c2cn(C)c(=O)nc2O)ccc1[N+](=O)[O-] 761425491 BKONMUANVOUUOQ-UHFFFAOYSA-N 384.326 -0.479 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NCc2ccc(-c3nn[nH]n3)cc2)n1 826362895 NJDYMQSNTNCTBL-UHFFFAOYSA-N 386.328 -0.018 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1=O 841542514 IKURGPYLRDAWMS-UHFFFAOYSA-N 394.768 -0.295 5 20 GBBD Cn1cc(N2C[C@@H](C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2=O)cn1 860860512 HVFIQBHFNWVRRT-VIFPVBQESA-N 394.369 -0.419 5 20 GBBD CN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1590987388 DHBJDDCCUXMZKQ-DGCLKSJQSA-N 388.388 -0.077 5 20 GBBD C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1602989527 VDSWXAWCHONHAS-JGVFFNPUSA-N 384.378 -0.822 5 20 GBBD COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1784261089 UXUPCTCUTQETJI-HNNXBMFYSA-N 396.360 -0.883 5 20 GBBD CCn1cnnc1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 66360106 QTSSWSNFVVWXON-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD O=C(NCCN1CCCS1(=O)=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 147777924 CQUGFNGRRSUULN-UHFFFAOYSA-N 380.386 -0.059 5 20 GBBD CCN1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 265292398 VIFWANXSGIQTOH-NSHDSACASA-N 384.414 -0.142 5 20 GBBD CS(=O)(=O)NCCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 298305560 XQTIIUOTGAEZPX-UHFFFAOYSA-N 384.370 -0.754 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 372150497 VAOBYZBMRXSKIV-JTQLQIEISA-N 379.416 -0.084 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] 572177929 GNGKCIBXINEDLJ-NSHDSACASA-N 395.416 -0.484 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c(C)c([N+](=O)[O-])c1 600071321 XXVVPEWLAMYUBO-GFCCVEGCSA-N 394.384 -0.189 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)CN(C)S(C)(=O)=O)ccc1[N+](=O)[O-] 761419762 QDUCBMXBVSRAED-UHFFFAOYSA-N 381.388 -0.700 5 20 GBBD C[C@@H](O)c1cn(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 763031339 VYEQQEVQESDGKW-SNVBAGLBSA-N 398.401 -0.666 5 20 GBBD Cn1nccc1S(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 765660490 CCBIOIDVQMCNMO-UHFFFAOYSA-N 395.353 -0.441 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NCc2cccc(-c3nn[nH]n3)c2)n1 826362881 NAQWYDLDVWKUQG-UHFFFAOYSA-N 386.328 -0.018 5 20 GBBD CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401333 KGFXNVFSFKDDBH-USZNOCQGSA-N 380.405 -0.481 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCOCC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401431 BDJIJTVRPUTDPF-CLLJXQQHSA-N 393.400 -0.052 5 20 GBBD Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1798659713 VLSHJSHULVUPHK-PEGIJTEDSA-N 389.372 -0.134 5 20 GBBD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799486182 ANOMVEUATWYRFQ-ADGXKJENSA-N 379.369 -0.116 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccccc1[N+](=O)[O-] 45832148 IQTPWBXMPXGDTF-NSHDSACASA-N 385.398 -0.265 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC[C@H]1C(=O)OC 273498164 HSIIWFGHCNYSPZ-NSHDSACASA-N 388.354 -0.056 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)Cn2cnnn2)CC1 298778584 JTXMWOGUKWSPSB-UHFFFAOYSA-N 375.345 -0.669 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(C(=O)Cn2cnnn2)CC1 299415320 SHGFIEARGJISPV-UHFFFAOYSA-N 393.335 -0.530 5 20 GBBD O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC(S(=O)(=O)N2CCNCC2)C1 571641002 XATZDBSMRZSIEK-UHFFFAOYSA-N 394.413 -0.470 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CCN2C1=O 573579120 OTELUNSSURGFDG-TZMCWYRMSA-N 389.412 -0.185 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 583035294 ONSPVEPYOOIAKN-RYUDHWBXSA-N 391.384 -0.754 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 592910539 AGJPVMSAXNRLEL-GXTWGEPZSA-N 394.384 -0.224 5 20 GBBD COCCNS(=O)(=O)c1ccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)cc1 749075978 GMQCIRVQNHUOND-UHFFFAOYSA-N 399.385 -0.032 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750757620 BVNQDCULOOVIQL-SECBINFHSA-N 378.388 -0.781 5 20 GBBD CN(C(=O)Cn1ncn(C)c1=O)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 765589265 BFMXQZRMCHKRHS-UHFFFAOYSA-N 389.777 -0.009 5 20 GBBD O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)Cn1cnc([N+](=O)[O-])n1 767288197 OJVIEZMQXUMJKM-UHFFFAOYSA-N 387.308 -0.015 5 20 GBBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)CN1CC(=O)N(C)C1=O 860763236 NKAQJGDPCSTXMG-UHFFFAOYSA-N 399.385 -0.275 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 862042464 OFNOBVLXPRBZTP-UHFFFAOYSA-N 376.778 -0.053 5 20 GBBD COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCO1 1348220976 SRYQDAQDQQUYIM-CQSZACIVSA-N 379.369 -0.004 5 20 GBBD CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1579387193 WFINJGXGIMUATE-CQSZACIVSA-N 395.401 -0.078 5 20 GBBD CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@H](CN)C1 1604867224 WIPWECKMECLDRU-SECBINFHSA-N 382.406 -0.962 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783483148 LRGQLTGESQZZBR-RHSMWYFYSA-N 393.400 -0.200 5 20 GBBD C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791048036 ZQVCFVVWGXSOKF-XWUBHJNHSA-N 381.389 -0.848 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1csnn1 1793498696 AZLVYJNHCBRHFT-DIYOJNKTSA-N 393.385 -0.314 5 20 GBBD NC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 66360455 OVHYBMRFVLQLLZ-UHFFFAOYSA-N 399.429 -0.220 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCCN1C(=O)CCC1=O 264268962 ANJRYLFJFUCBSV-UHFFFAOYSA-N 388.336 -0.154 5 20 GBBD O=C(NCCNC(=O)C1CC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265324195 TWTIVRYBYXVYRR-UHFFFAOYSA-N 399.429 -0.302 5 20 GBBD NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c([N+](=O)[O-])c1 279194021 FFAYRDPFXMYOTO-UHFFFAOYSA-N 394.413 -0.077 5 20 GBBD CN(C)c1n[nH]c(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 285867090 BGBOYOZOKZISEK-UHFFFAOYSA-N 398.405 -0.133 5 20 GBBD COC[C@@H](CNC(=O)c1cc([N+](=O)[O-])[nH]n1)NC(=O)c1cc([N+](=O)[O-])[nH]n1 286815026 PXGSKAGDQZXIIF-ZCFIWIBFSA-N 382.293 -0.876 5 20 GBBD CS(=O)(=O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298648568 BCRGFPKIXIEXKS-UHFFFAOYSA-N 377.444 -0.054 5 20 GBBD NC(=O)c1ccc(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 298759094 JVYVMQLCQAERME-UHFFFAOYSA-N 389.412 -0.040 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 371004772 FUEHSBCUQLOMBS-NSHDSACASA-N 384.414 -0.048 5 20 GBBD NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 418924073 OLPSONIOTBIRPB-AWEZNQCLSA-N 391.428 -0.433 5 20 GBBD CC1(C)CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@@H](CO)O1 422124403 VHBRLJGRTBXIQH-ZDUSSCGKSA-N 395.416 -0.047 5 20 GBBD COC[C@](C)(O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 522118796 RHOGBQHDLDMRJK-CQSZACIVSA-N 390.418 -0.430 5 20 GBBD CC(C)(C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)n1cc([N+](=O)[O-])cn1 522857150 IJNWETVZMWPNTD-ZDUSSCGKSA-N 394.432 -0.424 5 20 GBBD CN(C)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 569579484 NOFLEZISWQLWAY-UHFFFAOYSA-N 399.429 -0.301 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@H](CO)CN(C)C)cc2[N+](=O)[O-])CC1 590370334 XQRKCJQMMOESJD-HNNXBMFYSA-N 393.444 -0.084 5 20 GBBD CNc1nccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[N+](=O)[O-] 594306418 QBXYCYZNFLPQTD-XXFAHNHDSA-N 376.373 0.482 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 599938086 LSBXRQCJSXSRCT-VXGBXAGGSA-N 388.380 -0.142 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 603834941 XOTJVNMKOSZYGM-UHFFFAOYSA-N 377.401 -0.443 5 20 GBBD O=C(NCCS(=O)(=O)N1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 748048301 HWPLALLNQKVLPD-UHFFFAOYSA-N 387.370 -0.285 5 20 GBBD CCS(=O)(=O)NCC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 767394570 LYOHADMZIZGRLX-UHFFFAOYSA-N 389.342 -0.256 5 20 GBBD CCN(C(=O)[C@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 772059907 RCORDSHIKPCHCM-UWVGGRQHSA-N 388.402 -0.091 5 20 GBBD CN(C)S(=O)(=O)CCCOC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 801439641 BDVCILJZZSKKTF-UHFFFAOYSA-N 395.415 -0.320 5 20 GBBD CON(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 817796864 QKYACIHYDNMKSC-UHFFFAOYSA-N 389.390 -0.808 5 20 GBBD COC(=O)CNC(=O)[C@@H](C)OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 924690638 SHNGTQLHABYUNV-MRVPVSSYSA-N 381.297 -0.276 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1118123262 KNFYASNOBQBEFH-XHDPSFHLSA-N 378.385 -0.241 5 20 GBBD CC1(C)CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 1329712770 WMZHXIIFEMXCLA-MRXNPFEDSA-N 381.389 -0.296 5 20 GBBD CC[C@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 1340386955 IJUIMPTXVVCEFR-AWEZNQCLSA-N 378.385 -0.035 5 20 GBBD C[C@@H]1COCCN1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590325981 LGAQILGUBAXBRH-SNVBAGLBSA-N 397.417 -0.226 5 20 GBBD COC1(CO)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1605020541 MOQJEVKMSOIPGH-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD O=C(c1ncc[nH]1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382889 HITOKDSLBPNTOR-OAHLLOKOSA-N 375.345 -0.202 5 20 GBBD C[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1781990420 WBEDGEQXIRSLAM-LYOVBCGYSA-N 381.389 -0.174 5 20 GBBD COC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793438847 LNMLBKLHOMHTDO-HNCHTBHHSA-N 381.389 -0.196 5 20 GBBD O=C1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]c2[N+](=O)[O-])N1 1796850066 NZLNDONUVLULDW-LMLFDSFASA-N 376.373 -0.152 5 20 GBBD O=C(c1cnc(O)nc1O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388961 CEQWPTVTVULDQD-UHFFFAOYSA-N 389.328 -0.350 5 20 GBBD O=C([C@@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843390327 NBSNXRIOVLUWMI-JTQLQIEISA-N 397.413 -0.288 5 20 GBBD CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411728 ZBZFYAYALNUROO-SECBINFHSA-N 379.377 -0.418 5 20 GBBD CS(=O)(=O)N1CCC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 144847553 IUKGUURUJAPJMS-GFCCVEGCSA-N 384.414 -0.135 5 20 GBBD O=C([C@H]1C[C@H](O)CN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 269194434 QBWBFOKRSCFJEM-NWDGAFQWSA-N 384.414 -0.850 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 270973497 CCEGHXWLLLNPHR-HNNXBMFYSA-N 380.401 -0.524 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCn1nc2n(c1=O)CCCC2 299478369 DTLPTFJKRGYDCE-UHFFFAOYSA-N 376.373 -0.343 5 20 GBBD NS(=O)(=O)CCN1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 471018025 IFQWMFUAULAFID-OAHLLOKOSA-N 397.457 -0.394 5 20 GBBD COCCN(CC(=O)OC)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 496848537 YYFZBWIMVORPRN-UHFFFAOYSA-N 381.341 -0.032 5 20 GBBD CCN(CC)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 503493910 LNDXZTSAQVEDCU-LBPRGKRZSA-N 388.450 -0.456 5 20 GBBD Cc1c(C(=O)N2CCN(C3CC3)C(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 505205703 VDXNZIXAUZLFPG-UHFFFAOYSA-N 382.398 -0.003 5 20 GBBD CN1CC(=O)N(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)C1=O 538822683 BAUQKLSQVOFUQV-UHFFFAOYSA-N 387.356 -0.040 5 20 GBBD CN1CC[C@@H](NC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1=O 547441126 JMAZEPMCWYAVSH-GFCCVEGCSA-N 399.429 -0.060 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)CCC2=O)cc1[N+](=O)[O-] 559279541 ZHHVQQCJPGDNNU-UHFFFAOYSA-N 384.370 -0.489 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 589837539 WBNCHIAMDPWLBK-VIFPVBQESA-N 396.381 -0.530 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 604181865 YOXOVLAEHBJZNA-UHFFFAOYSA-N 391.340 -0.871 5 20 GBBD O=C(O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 826461145 HXFYTBSJOJURIL-QMMMGPOBSA-N 384.330 -0.751 5 20 GBBD Cc1cc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c(N)c([N+](=O)[O-])c1 842512355 KBQFIYUKAAUEER-UHFFFAOYSA-N 383.430 -0.455 5 20 GBBD O=C(NC[C@H]1COCO1)c1cc(C(=O)NC[C@@H]2COCO2)cc([N+](=O)[O-])c1 861977390 GNSRJJJTPZXKJQ-OKILXGFUSA-N 381.341 -0.200 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 916786301 QVKBBDWQMNMYSP-LBPRGKRZSA-N 391.427 -0.035 5 20 GBBD CN(CCCO)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1325225288 SWWYUMKGVHMCCU-UHFFFAOYSA-N 378.385 -0.280 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1325293539 KNGSFUWUAQVWIE-UHFFFAOYSA-N 391.428 -0.514 5 20 GBBD CC1(C)CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1342470196 KTHPMNFTFOQKHO-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590179823 HKHCGUHKPMPFHU-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590500648 SNSIGFCOMVFEJC-SNVBAGLBSA-N 381.374 -0.326 5 20 GBBD CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800530813 JVRHLGGWQVYRPO-KXGXSXBTSA-N 394.388 -0.954 5 20 GBBD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829622429 WWSLTBNJKKVBAR-SFHVURJKSA-N 392.412 -0.448 5 20 GBBD CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411729 ZBZFYAYALNUROO-VIFPVBQESA-N 379.377 -0.418 5 20 GBBD CS(=O)(=O)CCC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1846700706 MAXLGETYXPBTIZ-UHFFFAOYSA-N 385.402 -0.430 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 48007762 WARGAHMUOFEBIO-OAHLLOKOSA-N 392.412 -0.243 5 20 GBBD Cc1c(C(=O)N2CCN([C@@H]3CCNC3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 289363224 ZLFNXLIRAOZINR-GFCCVEGCSA-N 397.457 -0.330 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(CO)CO)cc1[N+](=O)[O-] 416446964 AUSPVALCIZYZJN-UHFFFAOYSA-N 376.387 -0.007 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 417323059 NVIQJGURBWGMOS-GFCCVEGCSA-N 387.418 -0.839 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 443881859 HZGWSNSCTLLYRD-LBPRGKRZSA-N 392.416 -0.542 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)C(=O)NCC(F)F)c([N+](=O)[O-])c1 443921694 MECXXAXAFVARQQ-UHFFFAOYSA-N 394.356 -0.092 5 20 GBBD C[C@H](CNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)S(N)(=O)=O 467854463 VIUNNAJVGZBRCK-SSDOTTSWSA-N 378.794 -0.342 5 20 GBBD Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 469477622 IKCXSGROSNXCJV-MRVPVSSYSA-N 391.427 -0.190 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1[N+](=O)[O-] 502047044 VLKATLRDFSOOAP-NSHDSACASA-N 394.384 -0.303 5 20 GBBD O=C(CCNc1ccccc1[N+](=O)[O-])NCC(=O)NCCN1CCOCC1 521056665 XJQSUDFPGNCXKO-UHFFFAOYSA-N 379.417 -0.039 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 588132725 INMBQWWQKVBMSH-UHFFFAOYSA-N 394.431 -0.626 5 20 GBBD O=C(NCc1cc[nH]n1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611627014 CHASMHDHTLCHRP-YPMHNXCESA-N 395.397 -0.242 5 20 GBBD O=C(CN1CCCC1)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 822997858 WFROOSJZBYMBJH-UHFFFAOYSA-N 387.404 -0.086 5 20 GBBD C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824865032 GULYVAOBWSEUDO-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD CN1CC[C@H](C(=O)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])S1(=O)=O 842751790 NVONCNRSOTWZPP-SECBINFHSA-N 381.363 -0.427 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCS(=O)(=O)C1 1317799039 AORJQOMESBINQL-JTQLQIEISA-N 383.382 -0.129 5 20 GBBD CO[C@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@H]1OC 1325867561 PTWAZVIUBHDRHQ-BETUJISGSA-N 381.389 -0.173 5 20 GBBD O=C(C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C1CC1 1779378609 PXTUZYTXEGEATK-INIZCTEOSA-N 377.357 -0.260 5 20 GBBD CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839830809 JISYXSNIOAASPV-QGZVFWFLSA-N 394.384 -0.028 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)CNC(C)=O)C2)n1 1845990582 UNDWHZAKXIYIDG-UHFFFAOYSA-N 391.384 -0.049 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CNCCO2)CC1 262620744 IKDYXDKNOZJILP-CQSZACIVSA-N 398.441 -0.275 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@]1(O)CCSC1 270973781 KHUPXZGALAQSNR-CYBMUJFWSA-N 375.428 -0.143 5 20 GBBD O=C1NC[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 272976078 AASNBPKATHUORT-GFCCVEGCSA-N 382.398 -0.989 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 275021823 ADXZDTUPZVIMTR-UHFFFAOYSA-N 376.322 -0.427 5 20 GBBD Cc1nn(CCC(=O)NCCNS(=O)(=O)NC(C)C)c(C)c1[N+](=O)[O-] 277417528 DDQQOKOYIWNEEF-UHFFFAOYSA-N 376.439 -0.253 5 20 GBBD CCOC1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 294298266 CXEYNKKADQMONJ-FZMZJTMJSA-N 399.425 -0.034 5 20 GBBD Cc1nccn1CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422283656 NKPCCGZEKKUFCG-UHFFFAOYSA-N 387.400 -0.040 5 20 GBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCS(=O)(=O)[C@@H](C(=O)O)C2)s1 424478790 XJTJROYHEOMJOH-SSDOTTSWSA-N 384.413 -0.252 5 20 GBBD NC(=O)[C@@]1(O)CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 471105274 VICRYQJDDFGQMO-MRXNPFEDSA-N 378.341 -0.268 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1O 487669664 BQAPOMGOMJXLMY-ZYHUDNBSSA-N 383.405 -0.213 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]1CN(C)CCO1 589139359 VDJCDZHGYLTIMA-JSGCOSHPSA-N 394.432 -0.210 5 20 GBBD CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 599454994 FRVDVKBNUGYOBA-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD CNS(=O)(=O)N1CCC(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)CC1 803937817 VXAZVRUFJFONFL-UHFFFAOYSA-N 388.402 -0.524 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 811715996 HLYSHDUPJJSVON-UHFFFAOYSA-N 386.434 -0.203 5 20 GBBD O=C1CCC(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826479823 JCULOFFLXCTAFV-UHFFFAOYSA-N 395.357 -0.798 5 20 GBBD CS(=O)(=O)CCOCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 856731943 CEYMCGVUQNNEMS-UHFFFAOYSA-N 375.407 -0.306 5 20 GBBD CO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783982959 BFVBMJRWZGVZCH-BLLLJJGKSA-N 381.389 -0.344 5 20 GBBD CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)C1 1784778725 GDAXIFBKFILHEQ-QGZVFWFLSA-N 392.416 -0.817 5 20 GBBD Cc1nc[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796402528 SMKMQQBGKILMDL-PEGIJTEDSA-N 389.372 -0.134 5 20 GBBD CC(C)[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847632389 GPOZFOINXMXGAG-HEHGZKQESA-N 392.412 -0.025 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 266958451 YKKYYLKXHXOXAH-JTQLQIEISA-N 393.443 -0.330 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 272468853 DKSCNKIZJYGKOB-ZIAGYGMSSA-N 385.398 -0.472 5 20 GBBD CNC(=O)C1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 274280825 VMTGCPAHAAENPK-UHFFFAOYSA-N 397.457 -0.287 5 20 GBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 372832835 WVVOAVLKXRFYTA-ZDUSSCGKSA-N 389.434 -0.310 5 20 GBBD COc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] 479893437 XORMRLZXHWHAQV-KBPBESRZSA-N 399.425 -0.481 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NC[C@H]2COCCO2)c([N+](=O)[O-])c1 490591344 WTECAYTZUUYHMU-JTQLQIEISA-N 388.402 -0.424 5 20 GBBD COC[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 525264549 ZUSSVEWCDUQWGA-CQSZACIVSA-N 375.403 -0.223 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 577625220 BRERXNCVSFGBFF-QWHCGFSZSA-N 384.414 -0.157 5 20 GBBD CNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738674134 NACLEXNYZBRHOL-UHFFFAOYSA-N 388.358 -0.786 5 20 GBBD C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 820778053 UUYXEDCUJYUCIP-JTQLQIEISA-N 399.375 -0.501 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 1323943104 VWXGRQYOTNBYFN-UHFFFAOYSA-N 394.384 -0.463 5 20 GBBD COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1324317532 SJQPHOJGYWHFIH-UHFFFAOYSA-N 396.404 -0.997 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1793431016 GBQFJKALKBCCOQ-ZVXAKGHKSA-N 393.400 -0.362 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 22276111 QCHJKAWQIZXYEQ-LLVKDONJSA-N 387.370 -0.344 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 45813510 MGXMAMYLBKPMQE-SNVBAGLBSA-N 391.427 -0.481 5 20 GBBD O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 264233014 YEEIICZFQLQZJG-HIFRSBDPSA-N 398.441 -0.379 5 20 GBBD C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C 276651928 DVOKWTDWALZGRA-JTQLQIEISA-N 387.418 -0.351 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC(S(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 442953697 BGRCXHHSLXHRPU-UHFFFAOYSA-N 384.414 -0.087 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 447035662 YLYHWBYIDVBMIL-UHFFFAOYSA-N 395.191 -0.681 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 497038140 ZIQWMHSNWVSGLE-CQSZACIVSA-N 390.400 -0.059 5 20 GBBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1 503795239 CKOARNTZOLLYKP-CYBMUJFWSA-N 378.428 -0.130 5 20 GBBD CCS(=O)(=O)NCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 506375780 USULOJSMJINIOF-UHFFFAOYSA-N 387.418 -0.551 5 20 GBBD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2nccc2[N+](=O)[O-])CC1 515852988 OMQZNYICZOXASG-UHFFFAOYSA-N 398.401 -0.071 5 20 GBBD Cn1cnnc1N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])CC1 593941891 OLLRFGZFSZOXPK-UHFFFAOYSA-N 396.385 -0.068 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 596614649 WSGWZXMCDFSGTD-UHFFFAOYSA-N 385.406 -0.334 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(S(N)(=O)=O)CC1 609090670 KYDOUCNCQNMUDN-SNVBAGLBSA-N 384.414 -0.007 5 20 GBBD O=C1CN(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 733557367 CKKXOMFLSRSVHZ-JTQLQIEISA-N 394.340 -0.706 5 20 GBBD CNS(=O)(=O)CCC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 767111845 MJVAWUZBFBKSTJ-UHFFFAOYSA-N 389.342 -0.256 5 20 GBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 823123113 OKOGGGNMHVJJQT-SECBINFHSA-N 385.348 -0.526 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)[C@@H]1CCN(C)S1(=O)=O 842777285 BMNNERXKOUVOTJ-NSHDSACASA-N 377.400 -0.258 5 20 GBBD CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1322086315 CCNIGGZTQWPLFA-UHFFFAOYSA-N 388.384 -0.318 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1330659803 KBQXRCNFROLWDE-OLZOCXBDSA-N 383.382 -0.635 5 20 GBBD Cn1cnc([N+](=O)[O-])c1CN1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592589270 XKMPBXCVZYAKFF-UHFFFAOYSA-N 386.376 -0.302 5 20 GBBD C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1799288307 FXDYCLNFKWPFEG-DYNIEEOBSA-N 379.373 -0.739 5 20 GBBD C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)CC1 67277477 PYQMGMMLHASHTO-LLVKDONJSA-N 385.398 -0.265 5 20 GBBD COc1ccc(S(=O)(=O)N(C)C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] 269835583 PMLKXGONBMPRMZ-LBPRGKRZSA-N 389.430 -0.083 5 20 GBBD O=C(CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1CC1 272223262 GZDQISUFWUPUBX-UHFFFAOYSA-N 399.429 -0.302 5 20 GBBD CNC(=O)C1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 274340677 DNYGWKMJVRDLRM-UHFFFAOYSA-N 385.402 -0.751 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1CCNC(=O)C1 281368655 GGASTORCCRJKTD-UHFFFAOYSA-N 379.373 -0.520 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNS(=O)(=O)N(C)C 295955092 JMOPNZIEJMSXAE-UHFFFAOYSA-N 380.448 -0.169 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(S(N)(=O)=O)CC1 298131056 ZBILKCLSOJHDNK-SNVBAGLBSA-N 387.418 -0.249 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 366662172 JRDKCKPQKLNGSV-SNVBAGLBSA-N 399.429 -0.219 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)NC)CC2)c([N+](=O)[O-])n1 431571325 QNXMYEQENCHIQS-UHFFFAOYSA-N 396.451 -0.982 5 20 GBBD COC(=O)Cn1cc(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nn1 441984274 VHZJGOSTSUURSX-SNVBAGLBSA-N 390.356 -0.206 5 20 GBBD O=C(NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCCn1cc([N+](=O)[O-])cn1 489953486 LQMJQQVIJFVCGC-IMIFBBOLSA-N 388.384 -0.102 5 20 GBBD CN(C)CC[C@@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 593901946 KQYNBLIMZDXLIU-GFCCVEGCSA-N 387.462 -0.195 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)n1 599272102 PHGLMVXTTZTWBR-JTQLQIEISA-N 397.417 -0.469 5 20 GBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O 611661227 OHQFNZYWTPXUPN-XWUBHJNHSA-N 399.425 -0.442 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=S)NCC(N)=O)c([N+](=O)[O-])c1 727070963 RKZOFBQAABZRFK-UHFFFAOYSA-N 375.432 -0.640 5 20 GBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 797287370 QPEGYXHMMBIUSZ-SECBINFHSA-N 387.370 -0.278 5 20 GBBD O=C(CCN1CCOC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 921151750 GCFSXJHMKMELNS-UHFFFAOYSA-N 386.386 -0.168 5 20 GBBD COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1325731008 ZWIOMBMZNPPLKF-TXEJJXNPSA-N 391.384 -0.294 5 20 GBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1606620411 KWBRPPHNOPFZIU-UHFFFAOYSA-N 398.387 -0.289 5 20 GBBD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356251 OVFINJYRKJUVKF-DYNIEEOBSA-N 380.357 -0.475 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)c1ccc([N+](=O)[O-])o1 1792356281 RCKZKEPOUKQRME-QHBPRCKVSA-N 383.357 -0.600 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 265319769 HVCZLFZXVCZDDU-PWSUYJOCSA-N 384.414 -0.137 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 268880148 AWYNEUOZWMZMGO-AWEZNQCLSA-N 377.401 -0.479 5 20 GBBD Cn1cc(S(=O)(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O 269685082 HETSTMANOBPGSW-OCCSQVGLSA-N 398.397 -0.595 5 20 GBBD Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc([N+](=O)[O-])c1F 271651125 HYJFHNZTQBKTOH-VIFPVBQESA-N 386.361 -0.626 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)c(C)c([N+](=O)[O-])c1 276927121 SJVDMSVVNLJSPJ-SNVBAGLBSA-N 378.341 -0.025 5 20 GBBD COC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 279809595 FNJBRQBYRJKQIA-SNVBAGLBSA-N 376.391 -0.820 5 20 GBBD O=C(CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC(F)(F)F 280684003 CRNQRRFXMRBKBI-UHFFFAOYSA-N 398.319 -0.332 5 20 GBBD Cn1nnc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 427113126 HBIWILBWKJHSCX-UHFFFAOYSA-N 380.390 -0.153 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442024060 DUFLOCLXECZOEC-JTQLQIEISA-N 377.313 -0.696 5 20 GBBD CN1CCC(O)(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 474987256 COJXQKLMWARNLU-UHFFFAOYSA-N 378.385 -0.107 5 20 GBBD COCCN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1=O 508437250 IQEDHKXMBRHIFW-UHFFFAOYSA-N 392.368 -0.363 5 20 GBBD COc1cc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc([N+](=O)[O-])c1C 573247063 XCQJBXLUTLUUEW-UHFFFAOYSA-N 398.441 -0.029 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] 598151425 YRRDEMGOJCVMBN-GFCCVEGCSA-N 384.414 -0.211 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] 598151426 YRRDEMGOJCVMBN-LBPRGKRZSA-N 384.414 -0.211 5 20 GBBD CCOC(=O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCOC1 599272109 PIORAEQYBMDFJY-ONGXEEELSA-N 376.391 -0.035 5 20 GBBD COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 600011655 QTJBOOWLDLSPIH-DTWKUNHWSA-N 386.390 -0.844 5 20 GBBD O=C(NCc1cnc[nH]1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611645221 ZLQLBFRVGLVDGD-YPMHNXCESA-N 395.397 -0.242 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 794621858 VWKJNWOROPLBOP-UHFFFAOYSA-N 389.368 -0.117 5 20 GBBD Cn1cc(/C=C\C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O 809249179 CYQJAPFEGCGFOY-WAYWQWQTSA-N 388.336 -0.152 5 20 GBBD NC(=O)C1=NO[C@@H](CNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1 829782030 TUMNZDRSFGOSJM-MRVPVSSYSA-N 397.294 -0.220 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 839330262 BIKPBNUSUDEPLJ-NSHDSACASA-N 378.389 -0.356 5 20 GBBD Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1320785853 DSNLAAJSPIOOLK-WHDAMIPWSA-N 379.398 -0.178 5 20 GBBD O=C(C(=O)N1CCC[C@H]1CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1324893243 GSHNDPILGQNUFD-HNNXBMFYSA-N 390.396 -0.138 5 20 GBBD CNC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1328382054 XHOXKDXHHVIXPR-JTQLQIEISA-N 383.430 -0.335 5 20 GBBD NC[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F 1351556435 BFHULHKMSZFWJN-GXSJLCMTSA-N 392.338 -0.107 5 20 GBBD CN1CCC(O)(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1591180368 KMCMTKMTVPVVNV-UHFFFAOYSA-N 397.417 -0.490 5 20 GBBD CN1CCN(CCN(CC(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1606242369 DRSHCMNRNYRVFP-UHFFFAOYSA-N 386.430 -0.083 5 20 GBBD O=C(c1cn[nH]c1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380888 HSKZJSHJBSBQSR-OAHLLOKOSA-N 375.345 -0.202 5 20 GBBD CC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809573 BCABHGDRZHHOFU-UKJIMTQDSA-N 381.389 -0.318 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356664 BPJAGVBNCKWYNK-BTABJRDXSA-N 394.384 -0.084 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 55975151 SLXQWYJGZXCBRJ-SNVBAGLBSA-N 375.334 -0.214 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 265447066 BSJPLEBJUMGGAI-ZDUSSCGKSA-N 380.405 -0.769 5 20 GBBD CN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 267671798 PGKUPEBOKSDONG-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD O=C(C[C@H]1NC(=O)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O)N1CCOCC1 269675398 OYYKKUFKOISULZ-KGLIPLIRSA-N 392.368 -0.203 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 273105867 VOFNILFQQGOQRI-UHFFFAOYSA-N 397.340 -0.492 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1[N+](=O)[O-] 275501037 ZMJSFTYNHJBPPZ-VIFPVBQESA-N 391.377 -0.044 5 20 GBBD COCCOCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422110530 ZJZOSXTWRSKBTA-UHFFFAOYSA-N 381.389 -0.582 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 425083254 IFPVYCLOIPCMHD-LBPRGKRZSA-N 398.397 -0.473 5 20 GBBD Cn1cc(C[C@H](O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 468619743 MXTIDHBQYVSGHH-AWEZNQCLSA-N 397.413 -0.674 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(n2ccnn2)C1 500531870 RRBHPOYFVGZPSL-UHFFFAOYSA-N 380.386 -0.062 5 20 GBBD CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 554773695 MJBDQAVADIRUFH-UHFFFAOYSA-N 378.389 -0.767 5 20 GBBD COC1(CO)CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 594391644 BLIBLDXWJCZBTA-UHFFFAOYSA-N 387.414 -0.127 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 597300438 JFEJKNAUJNQYPX-WCQYABFASA-N 385.398 -0.552 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598609950 LRWZXCQUWCFGIG-NSHDSACASA-N 386.434 -0.261 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1CS(N)(=O)=O 609619726 DYGDMQABFCVXIQ-ZWNOBZJWSA-N 384.414 -0.007 5 20 GBBD NC(=O)[C@@H]1CC(C(=O)OCCn2cnc([N+](=O)[O-])n2)=NN1c1ccc(F)cc1 749079635 NAOSZOIXFBYVET-LBPRGKRZSA-N 391.319 -0.011 5 20 GBBD CCN(C(=O)[C@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 772059908 RCORDSHIKPCHCM-VHSXEESVSA-N 388.402 -0.091 5 20 GBBD NC(=O)C1=NO[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 793909063 UQRZRJBIQHHZRW-SECBINFHSA-N 377.313 -0.933 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C1 794636195 ZMHMNEFJCNZZOP-SNVBAGLBSA-N 383.386 -0.008 5 20 GBBD CON(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 817793529 JRCWKCYKIZKPNH-UHFFFAOYSA-N 389.390 -0.808 5 20 GBBD CC(C)(c1nc(-c2cn(CCO)c(=O)nc2O)no1)n1cc([N+](=O)[O-])cn1 904852262 GQMMQJMVGVTAHR-UHFFFAOYSA-N 377.317 -0.121 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ncc[nH]1 1794500251 XRVIQZGSKOFCEI-ILWJIGKKSA-N 375.345 -0.442 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 265992683 AXXIPIWEMBDFBU-UHFFFAOYSA-N 390.396 -0.333 5 20 GBBD NC(=O)CONC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 271369190 HPYSLSGEAZLMRS-JTQLQIEISA-N 386.386 -0.471 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] 272866898 VUKVIXWBRLPKLG-UHFFFAOYSA-N 390.356 -0.398 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 274945485 RROUJPFKLVHKGY-SNVBAGLBSA-N 396.374 -0.305 5 20 GBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 276293686 JKBPHHGYZHVTSH-NSHDSACASA-N 394.203 -0.032 5 20 GBBD CC(C)NS(=O)(=O)NCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O 277261241 WUIILNNREZAGMF-UHFFFAOYSA-N 381.436 -0.514 5 20 GBBD C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1C 282253077 RIXVTPFNWPDNLI-NSHDSACASA-N 399.429 -0.255 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1 298082919 GYSKXUFDEWOLFT-OBJOEFQTSA-N 399.425 -0.298 5 20 GBBD NC(=O)C1(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCOCC1 371217069 AAOFCDFSGOXAHN-UHFFFAOYSA-N 387.370 -0.321 5 20 GBBD N[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 423155305 IVQPYHFKCLNXET-LLVKDONJSA-N 395.441 -0.110 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 445190194 KKVAAWLMIQCGHF-LBPRGKRZSA-N 395.416 -0.006 5 20 GBBD COC(=O)[C@@H]1COCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 471745401 HXLJBUYXOJYKIQ-ZDUSSCGKSA-N 380.357 -0.206 5 20 GBBD CC1(C)C(=O)NC(=O)N1CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543613147 RHSNCKDWZBEHJS-UHFFFAOYSA-N 398.397 -0.185 5 20 GBBD C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 564587281 VOQIKLHEDIUPIK-JGVFFNPUSA-N 375.432 0.093 5 20 GBBD N[C@H]1C[C@H]2CN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CCN2C1=O 578338818 YYRQJHGSQYIBJQ-KBPBESRZSA-N 389.412 -0.185 5 20 GBBD CCNC(=O)CN1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598587596 SBNDTYHFUCZFAY-UHFFFAOYSA-N 393.448 -0.130 5 20 GBBD Cc1ccc(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] 600085232 LQYTZNXGILERFJ-UHFFFAOYSA-N 385.402 -0.551 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2CCN(C)C(=O)C2)c([N+](=O)[O-])c1 610131357 VXCGPAAFSOFBPT-UHFFFAOYSA-N 385.446 -0.287 5 20 GBBD O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H](O)C1 610668855 DIAYUXNTHSQJMZ-GUTXKFCHSA-N 399.425 -0.298 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)ccc1[N+](=O)[O-] 761420411 UDXKCDZOVGHKSY-UHFFFAOYSA-N 393.399 -0.556 5 20 GBBD CN(CC(=O)NC(C(N)=O)C(N)=O)c1cc(Br)ccc1[N+](=O)[O-] 794997198 RBIZTRAHNNOGDY-UHFFFAOYSA-N 388.178 -0.751 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCOC2=O)C1 855501701 YUXONQQCSYEQLG-LLVKDONJSA-N 398.397 -0.074 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)CC1 863348680 JYORBUNBZSQXBK-UHFFFAOYSA-N 386.415 -0.003 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c1 917232727 RRQGWQKYFSRAHI-UHFFFAOYSA-N 381.341 -0.091 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1325179635 TXRWOZVBVFGTAX-CQSZACIVSA-N 392.368 -0.842 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 1327322735 PCIZPZFXPNXPMZ-AWEZNQCLSA-N 394.432 -0.522 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1330659805 KBQXRCNFROLWDE-STQMWFEESA-N 383.382 -0.635 5 20 GBBD CN1CCN(C(=O)CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)CC1 1598606742 CCDGBNBMMFXCGR-UHFFFAOYSA-N 386.386 -0.655 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784719188 DYMWUVDSVFXBSJ-BDJLRTHQSA-N 379.373 -0.202 5 20 GBBD C[C@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795960579 TWQWADMXFQPOID-YIYPIFLZSA-N 391.428 -0.011 5 20 GBBD C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798749482 UASABVNHXQQIKS-NJBDSQKTSA-N 379.373 -0.739 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 23755273 NQEHLYCZRVHKTA-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 115844875 FNIKIFXVMIAOSJ-UHFFFAOYSA-N 392.459 -0.550 5 20 GBBD CN1C(=O)C[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1=O 266102089 HWPYDYDKSCWUCH-GFCCVEGCSA-N 398.397 -0.215 5 20 GBBD Cn1cc(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2=O)cn1 272555018 ROTDLNBPSCGCCD-UHFFFAOYSA-N 380.386 -0.171 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H](CO)[C@H]1CCOC1 281916035 VCRMDISXEQEWKU-WDEREUQCSA-N 377.353 -0.048 5 20 GBBD CO[C@H]1COC[C@@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 290289610 AVLHICJWOCBJJI-AAEUAGOBSA-N 388.402 -0.426 5 20 GBBD CN(CC(=O)N1CCN2C(=O)OC[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 363816792 HVOFHIOCAPHXQN-GFCCVEGCSA-N 398.397 -0.122 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 377653236 XWMUYUVGIDOELD-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD CCn1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])n1 435798754 JOCVTGGYXMNAOJ-UHFFFAOYSA-N 389.415 -0.063 5 20 GBBD COCC(COC)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 455401213 KKMWIMYXUQBWGI-UHFFFAOYSA-N 390.418 -0.166 5 20 GBBD NC(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 465132725 DSVPJMSXKCDOAN-NSHDSACASA-N 384.414 -0.013 5 20 GBBD C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CCS(N)(=O)=O)CC1 471031265 GXGYIZRJTGUNTM-LBPRGKRZSA-N 385.446 -0.172 5 20 GBBD O=C(CN1CCCS1(=O)=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 525408147 LPMNDSJRHXPTAY-UHFFFAOYSA-N 396.425 -0.085 5 20 GBBD COc1ccc(NC(=O)[C@@H](C)N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 533424366 SLZOTFUKNAFWAW-SNVBAGLBSA-N 387.418 -0.249 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccn(CC(=O)N3CCOCC3)n2)n1 553438299 HMGZUCANYXTOMA-UHFFFAOYSA-N 390.356 0.575 5 20 GBBD CCOC(=O)C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 597671859 ALQAHDVPIWNBLA-JTQLQIEISA-N 389.386 -0.697 5 20 GBBD COC(=O)[C@@](C)(NC(=O)CNS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 600538446 UGTWGRCWOYRJLN-AWEZNQCLSA-N 388.402 -0.505 5 20 GBBD Cn1c(=O)c2c(ncn2CCC(=O)OCCn2ccc([N+](=O)[O-])n2)n(C)c1=O 748109093 NESSMLIWWCBYMI-UHFFFAOYSA-N 391.344 -0.828 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 749790247 IITNAXHYGAZOMQ-CYBMUJFWSA-N 397.413 -0.056 5 20 GBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 823127273 YIIUZPPHMUNYKU-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1333361637 ZUXMZEABAXAFJE-UHFFFAOYSA-N 388.388 -0.575 5 20 GBBD CN(CCNC(=O)CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1591097569 GZMHEGRTQIUCDD-UHFFFAOYSA-N 383.390 -0.628 5 20 GBBD COC(=O)[C@H]1CCS(=O)(=O)N1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591254741 ZVKPUDNFBQUPQX-SNVBAGLBSA-N 382.358 -0.148 5 20 GBBD N=C(N)SCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415989 STVIIEUAKPEXRL-OAHLLOKOSA-N 396.429 -0.007 5 20 GBBD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCO3)ccc1[N+](=O)[O-] 1785177709 DSCZGIGZTQQFNP-KRWDZBQOSA-N 395.368 -0.642 5 20 GBBD COc1cc(C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)ccc1[N+](=O)[O-] 1846873012 PLAQZWAXKBTYTE-UHFFFAOYSA-N 390.400 -0.097 5 20 GBBD C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 51424262 NGKOTPHZHPJUPO-STQMWFEESA-N 397.457 -0.196 5 20 GBBD COc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] 264079876 JJFGSLOVGUWJFG-TZMCWYRMSA-N 399.425 -0.169 5 20 GBBD COc1cc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 264539820 PVZUDUROBVHQFU-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCS1(=O)=O 293758308 LJNSFVKMZYUWJR-UWVGGRQHSA-N 391.427 -0.435 5 20 GBBD CCOC(=O)N1CCN(C(=O)Cn2cc(C(=O)OC)cc([N+](=O)[O-])c2=O)CC1 298418799 NVRRLECBANQETG-UHFFFAOYSA-N 396.356 -0.156 5 20 GBBD O=C1C[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)N1CCOCCO 414107991 KWZNAIHQHSERGD-AWEZNQCLSA-N 393.400 -0.752 5 20 GBBD Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 581440981 YDGGLJFNEXVHNW-IACUBPJLSA-N 389.412 -0.149 5 20 GBBD O=C(O)CNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 739808250 BLJVTPVWWJWBPK-UHFFFAOYSA-N 386.386 -0.898 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)cs1 768832891 HIFJWWFQNQJGSB-UHFFFAOYSA-N 385.445 -0.403 5 20 GBBD O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21)N1CCNC1=O 1592936233 IZRWHAPIJLKETJ-UHFFFAOYSA-N 384.312 -0.358 5 20 GBBD O=[N+]([O-])c1cnc(NCCS(=O)(=O)N2CCOCC2)c(-c2nn[nH]n2)c1 1593485530 ULNXFTFSWVKMDI-UHFFFAOYSA-N 384.378 -0.756 5 20 GBBD CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413957 MTSCZOYQDMGZBV-MRXNPFEDSA-N 379.373 -0.498 5 20 GBBD CC(=O)NCCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000425 XRKXAEVPNBFGFS-UHFFFAOYSA-N 378.389 -0.479 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 52995342 APBZQEAEDPODNG-SECBINFHSA-N 395.397 -0.154 5 20 GBBD C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 264810584 WXGSWARQTFVVLJ-SNVBAGLBSA-N 394.348 -0.441 5 20 GBBD COCCNCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 420182416 JRYQZUSDXRQVJK-UHFFFAOYSA-N 379.417 -0.404 5 20 GBBD CN(CCCS(N)(=O)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420999198 BZAJNJUPJYOXQZ-UHFFFAOYSA-N 380.448 -0.517 5 20 GBBD C[C@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 423608684 OJBVERNONNDAFX-NSHDSACASA-N 395.441 -0.239 5 20 GBBD COc1cc(C(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)cc([N+](=O)[O-])c1OC 435708214 XBYIVKWHFQDJRR-VXGBXAGGSA-N 383.357 -0.186 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C[C@H](O)CN1CCOCC1 497049948 LXDKSLIRWCXDQN-KBPBESRZSA-N 398.464 -0.021 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 600228706 DDWKWQBRWKPDPG-CYBMUJFWSA-N 393.400 -0.211 5 20 GBBD COCCNS(=O)(=O)c1ccc(CN=c2nc(N)c([N+](=O)[O-])c[nH]2)cc1 603864942 QCAVUYRVJHFAMV-UHFFFAOYSA-N 382.402 -0.074 5 20 GBBD NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 748172679 KUUDMDJYQRQQJN-CYBMUJFWSA-N 392.368 -0.266 5 20 GBBD NC(=O)C[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)O 776445478 XNILFZHQGYNCAZ-LURJTMIESA-N 396.175 -0.036 5 20 GBBD O=C(C(=O)N1CCC2(C1)OCCO2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 839285094 SFKPMAHZSQZPKX-UHFFFAOYSA-N 391.384 -0.386 5 20 GBBD Cc1noc(CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1[N+](=O)[O-] 852139800 CZMNXNALOAMIIK-UHFFFAOYSA-N 381.436 -0.019 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 856784514 YTPMRNUUTHNADC-IHRRRGAJSA-N 392.368 -0.204 5 20 GBBD CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)C1 1590758140 RNKSAKDTPAJKAY-SECBINFHSA-N 378.349 -0.227 5 20 GBBD O=C(O)[C@@H]1CCCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 1601817724 LSTNEJQWOHMPOH-GFCCVEGCSA-N 391.384 -0.038 5 20 GBBD CNC(=O)CN1CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 1609288538 WVBMRUVZGXUQLO-UHFFFAOYSA-N 375.393 -0.021 5 20 GBBD O=C(Cn1nccn1)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1781418320 FZWHKICFFBIKDY-MRXNPFEDSA-N 390.356 -0.077 5 20 GBBD NCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782182404 RCCRTQBOFADMHT-QGZVFWFLSA-N 388.384 -0.127 5 20 GBBD CCC(=O)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783085102 XAFPUYAISRYTGT-INIZCTEOSA-N 379.373 -0.400 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 273556781 MWFFQGIJDKXCFI-KOLCDFICSA-N 387.370 -0.307 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 277592385 NQCIOTAQLUHACB-KBPBESRZSA-N 399.425 -0.169 5 20 GBBD C[C@@H]1CCNC(=O)[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 282076192 LFBMRSLSKAMWQD-YGRLFVJLSA-N 384.414 -0.144 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 283435928 CVOQJHPLMJIRRQ-UHFFFAOYSA-N 378.432 -0.494 5 20 GBBD COC(=O)Cc1ccc(N2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 297071784 JNRRWFUWBAUQMU-UHFFFAOYSA-N 386.430 -0.279 5 20 GBBD O=C1NC(=O)[C@@]2(CCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)N1 447761377 VESRWTQLELVVJD-INIZCTEOSA-N 375.341 -0.475 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 495741988 LJXVQMUWTBMMTJ-UHFFFAOYSA-N 378.385 -0.201 5 20 GBBD Nc1c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(F)cc1[N+](=O)[O-] 517340935 JAMAIKGHOBNALE-SECBINFHSA-N 388.377 -0.261 5 20 GBBD CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 536378448 NPFGMMVSVIJYIS-LBPRGKRZSA-N 386.430 -0.618 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cccc1[N+](=O)[O-] 580215552 LWYASZWRADEVLC-CHWSQXEVSA-N 375.385 -0.710 5 20 GBBD N[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F 595261722 AHNURYZOYVNKBR-GHMZBOCLSA-N 389.409 -0.046 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](O)c1cnn(C)c1 817643307 MEBGJPXYGRMYCD-AWEZNQCLSA-N 397.413 -0.201 5 20 GBBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 916476614 JFDUEOSHGBERKP-SNVBAGLBSA-N 385.354 -0.236 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCS(=O)(=O)N1CCSCC1 1322847139 WELUNMWJBDFRQC-UHFFFAOYSA-N 390.443 -0.749 5 20 GBBD C[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 1325151697 TYPVPZSZNNUKSK-MRXNPFEDSA-N 396.425 -0.076 5 20 GBBD NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC2 1817069065 DTDGZGATLUWHKV-SFYZADRCSA-N 393.429 -0.109 5 20 GBBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)Cn3cnnn3)C2)ncc1[N+](=O)[O-] 1843083701 GIAGWSDQZJLPEJ-UHFFFAOYSA-N 386.372 -0.198 5 20 GBBD CNC(=O)CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 264905611 LMFKHQVWUBORKJ-ZDUSSCGKSA-N 384.414 -0.048 5 20 GBBD CC(C)OCCS(=O)(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 267004210 MBSSUDXKJGHHJV-UHFFFAOYSA-N 389.434 -0.310 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 276577000 LARUWJRNXNPXRB-KBPBESRZSA-N 376.369 -0.088 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 277745561 ITUPTXVKPNLJQW-ZIAGYGMSSA-N 399.425 -0.481 5 20 GBBD O=C([C@H]1COCCO1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298389363 COTPCXNILHMFDK-CQSZACIVSA-N 385.398 -0.157 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCS(=O)(=O)CC1 298487389 VLPNKHDFLWKFOA-GFCCVEGCSA-N 398.441 -0.440 5 20 GBBD Cc1c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cccc1[N+](=O)[O-] 424442934 WWGLAPVHTIJJCO-LLVKDONJSA-N 385.354 -0.448 5 20 GBBD CN(Cc1nnnn1C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 466266181 BPPZBEBBUHBASG-UHFFFAOYSA-N 398.405 -0.762 5 20 GBBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1CCN2CCOC[C@H]2C1 502849745 YQKQNCPSYMFDQF-GFCCVEGCSA-N 388.384 -0.370 5 20 GBBD Cc1noc(CN(C)C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 1261555859 QDYXGRSJPQDCLS-UHFFFAOYSA-N 389.372 -0.012 5 20 GBBD CN(CC1CCN(C(=O)C(N)=O)CC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591058005 LQEUEMCADKNCBE-UHFFFAOYSA-N 388.388 -0.065 5 20 GBBD O=C1NC(=O)[C@@H](CC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)N1 1841961078 MGGWUQDELNOKNO-SNVBAGLBSA-N 390.356 -0.662 5 20 GBBD C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O 55138936 USKVUFSCHYVAHL-WDEREUQCSA-N 384.414 -0.015 5 20 GBBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1OC 263674951 FSPJHTQOVYBQLX-UHFFFAOYSA-N 388.402 -0.037 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)OC 277117068 UZYAQCAEGLZIGF-NSHDSACASA-N 390.370 -0.028 5 20 GBBD CNS(=O)(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 296066160 UZQCCCFVMSYOBQ-UHFFFAOYSA-N 387.418 -0.376 5 20 GBBD CN1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 368838043 IWQZBXOXYGGLOL-AWEZNQCLSA-N 377.401 -0.479 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 468650252 XWVYBTDXYLJJLL-JTQLQIEISA-N 396.381 -0.714 5 20 GBBD CCn1cc(S(=O)(=O)N(C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])n1 533176633 PLJJKUNZJHOTKC-NSHDSACASA-N 377.423 -0.875 5 20 GBBD NC(=O)c1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] 596081910 CASSCXAELRDBBC-UHFFFAOYSA-N 375.385 -0.035 5 20 GBBD NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 597552381 JSEIWKLLSRUILX-RWSFTLGLSA-N 396.425 -0.015 5 20 GBBD CN1CCN(C(=O)CN(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 603820048 QOLFLKPIYDBVKK-UHFFFAOYSA-N 391.428 -0.053 5 20 GBBD COCCN1C[C@@H](C(=O)NS(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1=O 732619886 AYYHZSGYNDGLRG-QMMMGPOBSA-N 377.400 -0.044 5 20 GBBD CC(C)(C(=O)OCCn1ncc(-c2nn[nH]n2)c1N)n1cc([N+](=O)[O-])cn1 735581750 BSYRNZLYZIHFDH-UHFFFAOYSA-N 376.337 -0.271 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 773498846 RYZJXFYUAWYPQB-AWEZNQCLSA-N 397.413 -0.304 5 20 GBBD NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)O 776445467 XFXQNNGECMQJGY-SSDOTTSWSA-N 396.175 -0.036 5 20 GBBD O=C(CN1Cc2ccc([N+](=O)[O-])cc2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 1116161261 LKWCBLYJSWXOIM-GFCCVEGCSA-N 382.398 -0.077 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1116999425 TXXHMZNASNLOQM-CYBMUJFWSA-N 384.414 -0.249 5 20 GBBD CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1261164757 BRDFDMWHGNRHLG-CYBMUJFWSA-N 394.432 -0.082 5 20 GBBD CO[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H]1OC 1328309150 QQVFZBXMSKBXSA-OKILXGFUSA-N 393.400 -0.489 5 20 GBBD CCN1CCN(C(=O)CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 1590734960 GTJLLCAXCRCJLY-UHFFFAOYSA-N 375.393 -0.067 5 20 GBBD CC(=O)NCC(=O)NCCCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1602942570 TYNKAHDPNUBVCT-UHFFFAOYSA-N 376.377 -0.147 5 20 GBBD O=C(O)c1cnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 1608975263 XXBQXGYMSGVIHV-UHFFFAOYSA-N 377.357 -0.041 5 20 GBBD COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CN)CCO3)C2)c([N+](=O)[O-])c1 1781412614 LHWNFIPHSFLEBC-SFHVURJKSA-N 392.412 -0.066 5 20 GBBD O=C(Cc1cc[nH]n1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1782792521 VSYQXCNXJHVDBY-MRXNPFEDSA-N 389.372 -0.273 5 20 GBBD O=C(c1nc2ncccn2n1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388984 DLFXBGQKXXNUGT-UHFFFAOYSA-N 397.355 -0.114 5 20 GBBD CC(=O)NCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165140 XWMNVRLDGKGPFW-KBPBESRZSA-N 378.389 -0.481 5 20 GBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)c1cnccn1 169842753 VWKAUTMTCSARJH-UHFFFAOYSA-N 398.335 -0.473 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@]1(O)CCOC1 270185146 VRVLWUWSCTXZLM-CQSZACIVSA-N 388.402 -0.676 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cnc[nH]1 420737209 ZDLVMZWLQUTMFK-UHFFFAOYSA-N 389.415 -0.083 5 20 GBBD Cc1ccc(S(=O)(=O)N2Cc3nnc(O)n3C[C@H]2C(=O)O)c([N+](=O)[O-])c1 424391779 NQZJTEHZIHKYRI-VIFPVBQESA-N 383.342 -0.142 5 20 GBBD Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)Cn1cc([N+](=O)[O-])cn1 469310329 ZMITZUBQNIRUHR-UHFFFAOYSA-N 390.403 -0.643 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C(=O)OC)C1 469328054 MKQAWEWFJNSQAX-NSHDSACASA-N 388.354 -0.056 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 598906958 ZXYMAOLXQWXZKY-JQWIXIFHSA-N 392.324 -0.392 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O 609725358 CNWKTPANEMYFOY-SNVBAGLBSA-N 398.397 -0.473 5 20 GBBD CN(CC(=O)NC[C@H](O)[C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 610016462 ZKPZIIPOKIADJR-RISCZKNCSA-N 387.414 -0.271 5 20 GBBD Cc1c(C(=O)NCC(=O)NCCN2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 732157274 UJWHNKAZPKRICT-UHFFFAOYSA-N 395.372 -0.010 5 20 GBBD Cn1cnn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=O 758291952 VOEJMYFXAOJIGE-UHFFFAOYSA-N 382.402 -0.546 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 813950044 SSZAGVCLNNXZPB-UHFFFAOYSA-N 399.429 -0.078 5 20 GBBD Cc1c([N+](=O)[O-])cc(C(=O)NCCNS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 843884886 FIGYGBVPCQOPIY-UHFFFAOYSA-N 375.363 -0.063 5 20 GBBD CCC1(CC)NC(=O)N(CC(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 851327675 LJIOYMMEQXCOHE-UHFFFAOYSA-N 399.385 -0.095 5 20 GBBD COC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1606362877 YNCZCHLIRRZDQU-ZHMYYEFOSA-N 379.325 -0.380 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782930066 NOLCAALEHNOLPO-XEZPLFJOSA-N 381.364 -0.021 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccno1)C2 1794000095 JAPQGAKAVOTRGF-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401244 GJITYGRITNINED-WJTVCTBASA-N 394.432 -0.106 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1836508034 HNJMKGBSZIFSLF-HNNXBMFYSA-N 397.363 -0.110 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1836508226 QQROXBLQZSCMPF-MMPTUQATSA-N 397.363 -0.254 5 20 GBBD Cn1nc(C(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)cc1O 1843388651 HEVZOVNBCRSULW-UHFFFAOYSA-N 375.345 -0.112 5 20 GBBD CN(CC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)C(=O)C(=O)O 1845808064 LXAQVVPLHHCDJB-UHFFFAOYSA-N 394.340 -0.452 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(O)[nH]1 1848165907 SSYIRWWUODHQLW-RYUDHWBXSA-N 375.345 -0.264 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)OC 32412989 RGIUSYJIBKSEFE-VIFPVBQESA-N 376.343 -0.014 5 20 GBBD O=C(C(=O)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 65209157 YKTWQIRHDAIEOY-UHFFFAOYSA-N 392.412 -0.023 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 264782354 SBIOEVHQIGGNBK-LLVKDONJSA-N 375.385 -0.447 5 20 GBBD NC(=O)CONC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 271369195 HPYSLSGEAZLMRS-SNVBAGLBSA-N 386.386 -0.471 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCN2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] 272909426 LHFCRMZTCSNISX-UHFFFAOYSA-N 393.400 -0.178 5 20 GBBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 274649665 DHDMWUQPPFTYKW-CHWSQXEVSA-N 385.398 -0.784 5 20 GBBD COC(=O)COCC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 422111697 HPOYTSYYFHNJFJ-UHFFFAOYSA-N 389.386 -0.479 5 20 GBBD CN[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 423156960 LURDRJOSDBEAHH-LLVKDONJSA-N 395.441 -0.239 5 20 GBBD Cc1c(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 462013453 FWXWLNVROZEBHT-NSHDSACASA-N 399.473 -0.084 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CN(C)CCN1C 468786291 BPMKYGJJADQBBA-LBPRGKRZSA-N 386.430 -0.095 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1 544103514 QBXHLDFNZMREQL-UHFFFAOYSA-N 386.430 -0.162 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 563216168 FXTRYQPWXOQDII-NSHDSACASA-N 385.354 -0.888 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)NC3=O)CC2)cc1[N+](=O)[O-] 584061008 UBUXXEKULAEWGE-LBPRGKRZSA-N 398.397 -0.675 5 20 GBBD Cc1nn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(=O)n1C 594230777 RUQOSXPHMVMMPO-UHFFFAOYSA-N 394.413 -0.155 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)C[C@@H]1CCOC1 762133754 NXZZISVBHVMUHP-SECBINFHSA-N 397.365 -0.327 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1794006012 FGPMDFFSTHEBGD-JFILPPLUSA-N 393.400 -0.583 5 20 GBBD CNC(=O)CC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841562324 MEHRGDCCXDWOGF-UHFFFAOYSA-N 391.384 -0.904 5 20 GBBD CNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11388554 YFCXJUDSZLKNEG-ZETCQYMHSA-N 378.297 -0.422 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCNC1=O 24168449 NESSREAVVVEGCO-UHFFFAOYSA-N 397.413 -0.547 5 20 GBBD CC[C@H](C)[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCCN1CCOCC1 264791181 UPRSMYOVMRFNAK-BBRMVZONSA-N 396.448 -0.229 5 20 GBBD O=C(NC[C@H]1CNCCCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 420216503 LZUBRULDEXWJFT-CQSZACIVSA-N 391.428 -0.262 5 20 GBBD CNC(=O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 422160695 PQQGVMGXDJASBK-NSHDSACASA-N 399.429 -0.349 5 20 GBBD NC(=O)[C@H]1CC[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)O1 470225795 GIQCGULBTFOGIX-ZWNOBZJWSA-N 378.341 -0.531 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1O 487661371 DBCUDYQRGLWTLQ-WDEREUQCSA-N 384.393 -0.969 5 20 GBBD CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1=O 596313002 QTTGXMHUKKDTHE-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD O=C(O)Cc1nc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n[nH]1 739902338 VWYFPXSYDBQUAU-UHFFFAOYSA-N 376.285 -0.296 5 20 GBBD CNC(=O)[C@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 763699479 UQHZRDMANUVYGE-ZIAGYGMSSA-N 378.385 -0.269 5 20 GBBD O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 781948509 BOTQHARDLAPCRQ-OAHLLOKOSA-N 396.425 -0.066 5 20 GBBD CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)CCO1 833397548 SFXSBTHMLGGHSK-NSHDSACASA-N 387.370 -0.181 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 847307848 PQYNPMZUVGNBMC-UHFFFAOYSA-N 386.434 -0.084 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 1261165030 ITCZNZVUYNOWRZ-AWEZNQCLSA-N 380.405 -0.769 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1336696702 BIRKCVPZSFZOAM-UHFFFAOYSA-N 388.388 -0.413 5 20 GBBD CN1CCN(CC(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CC1 1843914447 LWDCMRJFACLHMJ-UHFFFAOYSA-N 391.432 -0.618 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 48007763 WARGAHMUOFEBIO-HNNXBMFYSA-N 392.412 -0.243 5 20 GBBD CN(CC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 262268094 XPHCCUXKIKMYMX-LLVKDONJSA-N 380.357 -0.462 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCN1CCNCC1)OCCO2 262748459 MIDWHYMRZZEPPR-UHFFFAOYSA-N 386.430 -0.060 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 265454694 LQWCGSBLNZBSKQ-AWEZNQCLSA-N 394.432 -0.461 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@@H]1CN3CCN1CC3)OCCO2 269479573 LENVWWCJIILDBS-LLVKDONJSA-N 384.414 -0.356 5 20 GBBD CC[C@H](C)NC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 298779740 FMKVDBGXXPTNHT-ZDUSSCGKSA-N 379.417 -0.185 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 425218822 FWKNMPILLAWCOW-SNVBAGLBSA-N 385.354 -0.193 5 20 GBBD Cn1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c(=O)n(C)c1=O 464057345 FUJIAESRUSIEKM-SNVBAGLBSA-N 391.340 -0.172 5 20 GBBD COC(=O)COc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 475699414 HMOTYZRUJBTYIN-LBPRGKRZSA-N 392.368 -0.711 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 501137397 UQRRQFCSERRKAJ-GFCCVEGCSA-N 382.421 -0.373 5 20 GBBD NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 540480255 KZZSLHZKKNSQSZ-VIFPVBQESA-N 389.411 -0.043 5 20 GBBD O=C(C[C@H]1NC(=O)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O)N1CCOCC1 776278353 TUHMWMOCIYLZRD-ZIAGYGMSSA-N 392.368 -0.203 5 20 GBBD Cn1ncc(CNC(=O)c2cc(C(=O)NCc3cnn(C)n3)cc([N+](=O)[O-])c2)n1 805214520 GXZAPHLZJPHCJL-UHFFFAOYSA-N 399.371 -0.288 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 821313854 IYMNMNZFPXVGNY-UHFFFAOYSA-N 375.345 -0.013 5 20 GBBD CON(C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 853505244 ISWWJUBFPATBLU-UHFFFAOYSA-N 375.407 -0.335 5 20 GBBD O=C(c1cnc(O)[nH]1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779643496 OLECBJZISBNUJK-HNNXBMFYSA-N 391.344 -0.496 5 20 GBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)ccc1[N+](=O)[O-] 1801836841 ODBHTLXNLJZQEV-GNXNZQSNSA-N 395.368 -0.883 5 20 GBBD CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834983444 HDQSROLARJPSEH-INIZCTEOSA-N 397.388 -0.576 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756982 FALXIHIAJHGECO-HNNXBMFYSA-N 397.363 -0.110 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(C)(=O)=O)CC1 53316008 LQJDIBLRBWLFTJ-LLVKDONJSA-N 384.414 -0.183 5 20 GBBD COC(=O)[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)O 274391244 VNFKEBUVJPZXDL-KRTXAFLBSA-N 376.343 -0.433 5 20 GBBD COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 298296760 PQRMSUNHJWUNSH-UHFFFAOYSA-N 376.343 -0.060 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 298556975 ZMPAXUCSOHGQOK-UHFFFAOYSA-N 385.402 -0.550 5 20 GBBD CCn1cc(S(=O)(=O)NCC2(OCCO)CCOCC2)c([N+](=O)[O-])n1 409793020 MTYLPGBTXXWZJA-UHFFFAOYSA-N 378.407 -0.352 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCNCC1 423627864 VJQRXPTUNJZUTQ-UHFFFAOYSA-N 375.385 -0.689 5 20 GBBD CNc1c(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] 468779255 BFSLYMVXJLCZCV-UHFFFAOYSA-N 395.401 -0.099 5 20 GBBD C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 470485475 YKDNVPMMHOAZCL-YPMHNXCESA-N 387.414 -0.129 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 533180224 FMWSMLHTKZUFIX-VHSXEESVSA-N 395.463 -0.193 5 20 GBBD COC(=O)C1(O)CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 535834160 IKHNYUIVGFZZEI-UHFFFAOYSA-N 395.368 -0.140 5 20 GBBD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594780134 GENQWEFZLFUYMB-VHSXEESVSA-N 378.432 -0.014 5 20 GBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCOCC1 598907636 XWJSZSRAHRBPAK-ZDUSSCGKSA-N 381.389 -0.474 5 20 GBBD O=C(C(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 749661101 DTDWPAIXCNDGLJ-MRXNPFEDSA-N 392.412 -0.369 5 20 GBBD CNc1nccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 848791588 VIEOLNUWIXFWMR-IUCAKERBSA-N 386.386 -0.120 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] 849397701 AGBMEQQKKBKYIY-QPUJVOFHSA-N 375.359 -0.253 5 20 GBBD Cn1cc(CCC(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 861406210 WWPCLVBHUZUYND-UHFFFAOYSA-N 383.386 -0.134 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F 1351556438 BFHULHKMSZFWJN-KOLCDFICSA-N 392.338 -0.107 5 20 GBBD C[C@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 1590164452 RFXAMBKXROFFHF-VIFPVBQESA-N 375.393 -0.087 5 20 GBBD CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@H](CO)C1 1591193745 HPNQTWNAGZNILI-VIFPVBQESA-N 383.390 -0.928 5 20 GBBD COCCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)CC1=O 1610261154 WNXIZLRNMWJFGC-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841654933 SRUFJGVFHAZJHW-LLVKDONJSA-N 378.389 -0.494 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 269315629 PUPZVSHZAGUGSS-UHFFFAOYSA-N 389.434 -0.239 5 20 GBBD COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 273640913 XZVYIKUCFDZXTP-VIFPVBQESA-N 389.386 -0.108 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 274064405 PECRRLYANKIRMX-GFCCVEGCSA-N 392.411 -0.303 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C(=O)O)O1 290805344 QKELUZGDCFJLIT-NWDGAFQWSA-N 387.370 -0.379 5 20 GBBD COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 293070924 XRYHNJLOVMGYRL-BXUZGUMPSA-N 391.336 -0.284 5 20 GBBD CN(C[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O 511090630 NFPAMLMEMCAFOE-GXTWGEPZSA-N 375.451 -0.244 5 20 GBBD CNc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] 523697394 CRJQDHMVKJZLMY-HIFRSBDPSA-N 398.441 -0.136 5 20 GBBD COC[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 525776559 CLJQFXFLHIVADR-AWEZNQCLSA-N 375.403 -0.223 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 531591142 GDDLNTLPEOZCNG-STQMWFEESA-N 378.389 -0.146 5 20 GBBD O=C(NCC(=O)N1CCNCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl 570382996 CEWGDDMPDCRMQV-UHFFFAOYSA-N 383.792 -0.588 5 20 GBBD CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594780132 GENQWEFZLFUYMB-NXEZZACHSA-N 378.432 -0.014 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 597300436 JFEJKNAUJNQYPX-DGCLKSJQSA-N 385.398 -0.552 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 610060700 JNYQTSGVYMFQAL-VIFPVBQESA-N 386.386 -0.031 5 20 GBBD Cc1nn(CC(=O)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c(=O)n1C 847662650 SULRSMUFGDVMNG-UHFFFAOYSA-N 383.386 -0.513 5 20 GBBD CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1117346454 BQKUJIVITCZTDK-UHFFFAOYSA-N 391.428 -0.338 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCO[C@@H]2C)O1 1323905289 LTWLZGNACJGRKE-XHBSWPGZSA-N 381.389 -0.298 5 20 GBBD O=C(O)[C@@H]1CC(=O)N(C2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)C1 1594895417 GIBDQBFRDWBKBO-LLVKDONJSA-N 392.368 -0.319 5 20 GBBD NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2 1817067014 SVUDCMPOYVDXMO-BQBZGAKWSA-N 394.417 -0.714 5 20 GBBD C[C@H](CO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272920002 ZZCBQUIIXOGDBU-LOWVWBTDSA-N 387.414 -0.537 5 20 GBBD COc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)c([N+](=O)[O-])c1 275032083 UGKXJULEQDUXDM-VIFPVBQESA-N 387.370 -0.185 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 275970142 UPBGPUGACZWCSS-NSHDSACASA-N 375.341 -0.989 5 20 GBBD C[C@@]1(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCOC1=O 292471240 MVVRJVXSBXDOLF-CQSZACIVSA-N 386.386 -0.134 5 20 GBBD COC[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 484435305 IDTKFRTVTIQHIS-LBPRGKRZSA-N 389.386 -0.481 5 20 GBBD Cn1cnc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 509098597 UOOVZAQXSNEMCY-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD O=C(NCCN1C(=O)CCC1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 524360690 VREGVWSQLJPOEQ-UHFFFAOYSA-N 376.373 -0.030 5 20 GBBD CN1CCC(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])(N2CCOCC2)CC1 579612849 UYNOFMXRKUQCSY-UHFFFAOYSA-N 378.433 0.098 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 593792212 LMHGEVNPJNBZQJ-ZYHUDNBSSA-N 384.414 -0.137 5 20 GBBD COCc1nc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n(C)n1 596431100 WAFSFEXVCXILKW-UHFFFAOYSA-N 398.401 -0.422 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C[C@@H]12 596500807 IEUATDOSUIVVEQ-XQQFMLRXSA-N 391.427 -0.510 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] 743646274 CQBVBKYYVNDBJZ-ZDUSSCGKSA-N 377.357 -0.084 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744049345 VWSBGLKLXPLMMN-DMTCVQMQSA-N 378.341 -0.195 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CN(C(=O)O)C1 831693834 PUUVKHDWJHBDAQ-UHFFFAOYSA-N 387.374 -0.466 5 20 GBBD C[C@H](OC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 848785501 BVUGBNVNNRVHJP-IUCAKERBSA-N 386.386 -0.237 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1322785608 HDJROXZRGMLYJH-UHFFFAOYSA-N 382.398 -0.367 5 20 GBBD C[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 1325151696 TYPVPZSZNNUKSK-INIZCTEOSA-N 396.425 -0.076 5 20 GBBD C[C@@](O)(CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)C(=O)O 1593396046 FRAQGGVIYSEBPH-OAHLLOKOSA-N 387.414 -0.044 5 20 GBBD Cn1ccnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383474 PVPLSOBSJHHFHJ-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419542 DJQSGVKWNYOIIM-BDJLRTHQSA-N 379.373 -0.499 5 20 GBBD CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1784409105 VNEHCXVNJKVUIU-NHCYSSNCSA-N 394.388 -0.953 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C(=O)C1CC1 1792897228 QQIRHXRRJQVYDZ-JJLQDPRZSA-N 391.384 -0.640 5 20 GBBD CN(CC(=O)NCCCS(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265611775 FJSTVYGHJNUYQM-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD CCOC(=O)C1CCN(C(=O)CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 266528478 LKHLGXXUVGUBTG-OAHLLOKOSA-N 397.432 -0.114 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1[N+](=O)[O-] 270836031 DXLFESOTTKYPPF-NSHDSACASA-N 394.384 -0.615 5 20 GBBD CC(=O)N1CCN(CCNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 272799178 HGWWVHLQNOVELJ-UHFFFAOYSA-N 391.428 -0.087 5 20 GBBD COCC(=O)N1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 272834772 NKCPJGTVCZUJRW-UHFFFAOYSA-N 378.385 -0.050 5 20 GBBD NC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420042552 NMERRRRNQYEHAI-RISCZKNCSA-N 398.441 -0.272 5 20 GBBD CCOC(=O)N1CCC(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 802997420 AXNGYCNQAHCITJ-UHFFFAOYSA-N 389.390 -0.142 5 20 GBBD CC(=O)NCC(=O)N1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 862960572 HRHWLOBEWWVZFS-INIZCTEOSA-N 378.385 -0.175 5 20 GBBD COc1c(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 1116880209 PKTZAWAELWGGPQ-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ncnn1C 1325812304 POWHHLVUAAJIIK-LLVKDONJSA-N 388.388 -0.356 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1782790066 WYCXSNWUMFESMQ-GOSISDBHSA-N 390.396 -0.004 5 20 GBBD CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1800541114 FDUSNNFZGNAWBE-DRXBFXEBSA-N 393.400 -0.348 5 20 GBBD CC(C)N(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1801549580 JICZBPKSHBFARW-JJLQDPRZSA-N 394.432 -0.139 5 20 GBBD C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 130276566 WLXXEHSRGXECPR-HOCLYGCPSA-N 380.449 -0.219 5 20 GBBD CN(C)C(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 264832274 HJDXWRZLLKDGHF-CYBMUJFWSA-N 384.414 -0.048 5 20 GBBD CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](O)CN1CCOCC1 267595619 KMBRRKOCBFASJW-LBPRGKRZSA-N 396.400 -0.113 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 299586143 DSRNRDIZKPBQBT-UHFFFAOYSA-N 390.352 -0.492 5 20 GBBD O=C(C[C@@H]1NC(=O)NC1=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 555530550 PEQYSIUYCPHQME-LBPRGKRZSA-N 387.356 0.054 5 20 GBBD CC(C)[C@@H](C(=O)O)N1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 568490071 FLIPENDZSWFQIH-ONGXEEELSA-N 386.386 -0.022 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 594821641 ICBXZKVFGOKUPU-WCQYABFASA-N 378.428 -0.131 5 20 GBBD CN(C)S(=O)(=O)N1CC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 599182729 RCBXTHYUKOKAJY-UHFFFAOYSA-N 379.420 -0.855 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(NCc3nn[nH]n3)c([N+](=O)[O-])c2)CC1 609496252 CBAGESUBMHJYQI-UHFFFAOYSA-N 382.406 -0.344 5 20 GBBD CCN1CC[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 619825551 RQSNAMHDWCBHES-GFCCVEGCSA-N 399.429 -0.219 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 760035234 GUHDGKIRWVDFCA-PWSUYJOCSA-N 381.341 -0.056 5 20 GBBD O=C(CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1)N1CCCC1 822996528 GTDKQCKKRXOZNJ-UHFFFAOYSA-N 387.404 -0.086 5 20 GBBD O=C(O)C1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS(=O)(=O)CC1 833176755 VVJFFCVYDVAYNW-LBPRGKRZSA-N 388.398 -0.044 5 20 GBBD CCN1C[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1=O 1578216168 ZTPRGYNJFGGBIJ-SECBINFHSA-N 395.401 -0.078 5 20 GBBD COC(=O)C(F)(F)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591235755 YAEYBOFJNUJYRL-UHFFFAOYSA-N 392.300 -0.139 5 20 GBBD COC[C@]1(C(=O)O)CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 1604550982 MYTCJBUTUDNDBB-KRWDZBQOSA-N 395.368 -0.038 5 20 GBBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1781763032 QHTAFTWYKXGETK-INIZCTEOSA-N 383.332 -0.512 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cnccn1 1794643444 IVNLWGQXBLRTNW-DDFAGTSDSA-N 387.356 -0.375 5 20 GBBD Cc1nncn1CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 266925205 MDBKKJGASTTYLU-UHFFFAOYSA-N 382.402 -0.068 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 267208038 NZXGCKAJVVQDPJ-LSDHHAIUSA-N 399.425 -0.481 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 272632630 VIUBMDHCKPQPOQ-UHFFFAOYSA-N 378.385 -0.083 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 276470717 RMRLVOIJTJEXCI-UHFFFAOYSA-N 390.400 -0.064 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1 298209413 RKWPFDSPMXVBJL-UHFFFAOYSA-N 385.446 -0.239 5 20 GBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 372828979 CSVKEOWUGPCVQD-JTQLQIEISA-N 375.407 -0.170 5 20 GBBD COCC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 467833809 BXRDBLBPKCHDBE-NSHDSACASA-N 375.403 -0.223 5 20 GBBD COC(=O)[C@H]1COCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 471485971 TYYMGQYESDMQEX-GFCCVEGCSA-N 379.325 -0.279 5 20 GBBD COC(=O)c1cn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 530854364 HGFLUMIPRFQVDG-UHFFFAOYSA-N 375.345 -0.283 5 20 GBBD C[C@@H](NS(C)(=O)=O)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 550107032 MFBRQVQQRYRWAV-SECBINFHSA-N 382.402 0.004 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 598026504 GGFYQMMSEXIBOE-AAEUAGOBSA-N 385.398 -0.439 5 20 GBBD CNC(=O)C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 609264603 QEUFSPRSLNXLRW-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CCN2C1=O 610588938 IRNVFISMNFXUNJ-LBPRGKRZSA-N 383.386 -0.285 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@H](CC(N)=O)C1 863485340 ZPJUKQZYZVEBDK-LLVKDONJSA-N 381.341 -0.103 5 20 GBBD CN(CCNC(=O)C(=O)NCC1CC1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591095936 QOJJDSAFGXBQPN-UHFFFAOYSA-N 388.388 -0.147 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCOC[C@]23CCOC3)c1 1593473614 BHEMZXBCIIDGDN-CQSZACIVSA-N 396.385 -0.045 5 20 GBBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1781769705 DSKUQZOYHGFONF-INIZCTEOSA-N 383.332 -0.512 5 20 GBBD CCC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787480374 UKPBJKQALJYOCN-NHCYSSNCSA-N 379.373 -0.110 5 20 GBBD CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792860282 YWAXZHKOTIPPEZ-WJNVRWDZSA-N 381.389 -0.848 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1796082564 GCRFFLRBWJZENA-VLEAKVRGSA-N 393.404 -0.838 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797151957 XDMFYZVMLUXGDJ-HZEHYSCASA-N 378.385 -0.103 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010995 PHLHDONUQPNPLK-GNXNZQSNSA-N 389.372 -0.582 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCC(=O)N1CCOCC1 45911878 XDDQOTPBJQWPEA-UHFFFAOYSA-N 390.352 -0.444 5 20 GBBD COC[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])[nH]n1)NC(=O)c1cc([N+](=O)[O-])[nH]n1 285396002 DVHHROMMTSXTEZ-CYBMUJFWSA-N 396.320 -0.486 5 20 GBBD CCOC(=O)CC[C@]1(C)NC(=O)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 287326994 VRDRRVLAADCTCJ-NHYWBVRUSA-N 383.361 -0.194 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 364689178 WFWGZXYQKWIUOL-LBPRGKRZSA-N 384.414 -0.217 5 20 GBBD CCS(=O)(=O)N1CC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 438885598 UKZISFPBKIMNIW-UHFFFAOYSA-N 378.432 -0.064 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1c1cccc([N+](=O)[O-])c1S(N)(=O)=O 530691057 GWQGMRYSOBTLAS-SECBINFHSA-N 378.432 -0.240 5 20 GBBD NC(=O)c1ccc(SCC(=O)N2CCN(C(=O)CO)CC2)c([N+](=O)[O-])c1 534063250 WTDBAKDBQMRSIX-UHFFFAOYSA-N 382.398 -0.551 5 20 GBBD Cn1cc(C[C@H](O)C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)cn1 565095469 YLAWLYPPTHNLIQ-HNNXBMFYSA-N 385.384 0.403 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 570331124 XPCPSFNRVLMMNS-UHFFFAOYSA-N 384.414 -0.337 5 20 GBBD Cc1ccc([C@@H](C)NC(=O)C(=O)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] 570667442 QVUDQZFJAAJSJD-GFCCVEGCSA-N 377.401 -0.372 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 592308911 OXFOAJLRDQHJBR-RISCZKNCSA-N 386.430 -0.210 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCS(=O)(=O)NC 600666017 XEUWXIVZOHVNKC-SNVBAGLBSA-N 376.439 -0.117 5 20 GBBD CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCS(=O)(=O)C1 603595904 WKLYIKYRXYAQOV-CQSZACIVSA-N 397.457 -0.243 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)c2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 735216833 NQCDUEXHCUKODZ-UHFFFAOYSA-N 382.354 -0.581 5 20 GBBD C[C@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 827562502 BEARSCCCFWOVNJ-SECBINFHSA-N 395.415 -0.487 5 20 GBBD C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC[C@@H](C)[N+](=O)[O-] 1589976602 KGCVSJGUXUKMLZ-BDAKNGLRSA-N 384.374 -0.258 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21)C(O)O 1783868104 SOHQLSLLBKBEFX-GAFUQQFSSA-N 397.359 -0.362 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2)c1n[nH]cc1[N+](=O)[O-] 1798012167 BDONLNJRRGDTJP-WDAIWFPHSA-N 389.372 -0.513 5 20 GBBD CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1843335607 WXDSSRAUYLOOLM-GFCCVEGCSA-N 393.404 -0.558 5 20 GBBD O=C(CN1CCOCC1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411520 ZCKJFPICSIXYSK-UHFFFAOYSA-N 378.389 -0.533 5 20 GBBD COc1cc(C(=O)N2CCCC23CN(C(=O)C(O)O)C3)c([N+](=O)[O-])cc1O 1844736521 KMUGOXJQQMSOBU-UHFFFAOYSA-N 381.341 -0.563 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 275875807 PIUVYSHMIKHPKN-AWEZNQCLSA-N 397.409 -0.244 5 20 GBBD Cc1cc(C)c(S(=O)(=O)NCCOCCS(N)(=O)=O)cc1[N+](=O)[O-] 295841515 DDWSPXXNRHUNPJ-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD O=C(N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@]1(O)CCOC1 413034446 MPWUKMUKCQBRLW-HNNXBMFYSA-N 385.398 -0.421 5 20 GBBD NS(=O)(=O)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 548516203 NXRSPJKMFZPKEW-NSHDSACASA-N 384.414 -0.066 5 20 GBBD CN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 552968451 DYNDBRIMBXKUOO-CYBMUJFWSA-N 384.414 -0.048 5 20 GBBD CC(C)NS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 581979954 SXBYBYMSOZLRBK-UHFFFAOYSA-N 388.402 -0.072 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 591582361 ANGZKKWTPGCAFQ-TZMCWYRMSA-N 392.416 -0.787 5 20 GBBD N[C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 598730985 FNRNAPUZVLIJBY-FZKQIMNGSA-N 388.428 -0.022 5 20 GBBD COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 600011656 QTJBOOWLDLSPIH-IUCAKERBSA-N 386.390 -0.844 5 20 GBBD COC(=O)[C@@](C)(NC(=O)CNC(=O)CNC(C)=O)c1cccc([N+](=O)[O-])c1 600526797 HNGCCISRAZPLBP-INIZCTEOSA-N 380.357 -0.649 5 20 GBBD Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 737297545 BGUAYCSBUQNGNQ-UHFFFAOYSA-N 393.345 -0.820 5 20 GBBD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750761584 RZSZJUWIBWHGMV-GHMZBOCLSA-N 396.381 -0.030 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 788178164 UOJOAWPVLZTVGB-UHFFFAOYSA-N 382.358 -0.629 5 20 GBBD Cn1cnn(CCC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1=O 815271312 NTTWXQCUATZTBL-UHFFFAOYSA-N 393.312 -0.209 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](CO)[C@H](CO)C1 858674703 WWHUXZBFPXIXLS-QWRGUYRKSA-N 375.403 -0.186 5 20 GBBD O=C(NC[C@H]1COCO1)c1ccc(C(=O)NC[C@H]2COCO2)c([N+](=O)[O-])c1 861979521 WPTCKIQZOUTDPV-RYUDHWBXSA-N 381.341 -0.200 5 20 GBBD CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 863556009 ZNOBBMBXJAOZGZ-GFCCVEGCSA-N 388.358 -0.107 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1118156777 HUQRBHJTJUMZHS-QWHCGFSZSA-N 379.369 -0.364 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1261339211 ARHGDRMYGARUQR-UHFFFAOYSA-N 382.398 -0.459 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1340875312 NADLCPFMADPVGF-CQSZACIVSA-N 398.441 -0.206 5 20 GBBD CO[C@]1(CO)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1591343461 WCLVYUHYSRCODL-CQSZACIVSA-N 398.401 -0.063 5 20 GBBD Nc1c([N+](=O)[O-])ccc(N2CCN3CCOC[C@]3(CO)C2)c1-c1nn[nH]n1 1592757376 JNEWQZLIQDBRCC-OAHLLOKOSA-N 376.377 -0.760 5 20 GBBD O=C1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CN1 1780420000 YMOQZXKOUQHOHQ-APPDUMDISA-N 391.384 -0.498 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401579 OXNPMJDUCVNGKT-WRWGMCAJSA-N 379.373 -0.300 5 20 GBBD CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1830521918 WYNUKRVSHRESOH-MLGOLLRUSA-N 397.388 -0.841 5 20 GBBD Cn1ccc(CC(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)n1 1841999406 POJOBBLYRPOEFT-UHFFFAOYSA-N 387.400 -0.029 5 20 GBBD COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844384690 DFLCKYXIBMAHSX-NSHDSACASA-N 394.388 -0.714 5 20 GBBD COc1cc(S(=O)(=O)N(C)C[C@H](O)CN2CCOCC2)ccc1[N+](=O)[O-] 269774765 GWSFFRVEFBSKGV-LBPRGKRZSA-N 389.430 -0.083 5 20 GBBD CN(CC(=O)NCCCOCCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 272832591 OZYKOLOKNHGTLE-UHFFFAOYSA-N 375.403 -0.270 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 272884826 HZNLXJXBTJWEBO-SECBINFHSA-N 378.432 -0.064 5 20 GBBD O=C(NC(CO)CO)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 273325466 LZMNTHIPVDMODQ-LLVKDONJSA-N 387.414 -0.535 5 20 GBBD CN1C[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 450619531 XKCDNQQTUQKMSK-OLZOCXBDSA-N 397.413 -0.791 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)O1 470804787 VKBYCKFWWJAIIN-KWQFWETISA-N 376.325 -0.660 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 522588264 COJPHBGDYJJAFV-UHFFFAOYSA-N 380.405 -0.278 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 569961583 QNEHLDFETPHRFJ-GXTWGEPZSA-N 390.466 -0.597 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 594827167 TXWARSVTUHQPDO-MWLCHTKSSA-N 380.400 -0.306 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NC[C@]2(OCCO)CCOC2)cc1[N+](=O)[O-] 597994155 IMCJWTNGVFSODL-OAHLLOKOSA-N 388.398 -0.104 5 20 GBBD CN(CCOC(=O)c1cc([N+](=O)[O-])cn1C)S(=O)(=O)N1CCOCC1 731290543 GMQKNMCUHAFVGG-UHFFFAOYSA-N 376.391 -0.401 5 20 GBBD Cc1c(C(=O)OCC(=O)N2CCCC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 735540497 GPPVVFIFKYFZAR-UHFFFAOYSA-N 385.354 -0.144 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(N)(=O)=O 750030189 PXCKDQAAKLNWCV-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1323896861 QINXASIFLTUPAX-UHFFFAOYSA-N 385.398 -0.386 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1nc[nH]n1 1787220261 LNKGYYZPXPVQAC-GUBZILKMSA-N 390.360 -0.657 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798008793 LVWCXAVXLSGTSO-PEGIJTEDSA-N 377.357 -0.500 5 20 GBBD CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412828 UPHQKTNLWAXFNG-UHFFFAOYSA-N 395.445 -0.381 5 20 GBBD Cn1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)cc1O 1848162585 GSVJPMAPUFLHGZ-STQMWFEESA-N 389.372 -0.254 5 20 GBBD O=C(O)CN(CC(=O)O)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 275006608 PAOBXCBLYOWMKM-UHFFFAOYSA-N 376.299 -0.474 5 20 GBBD Cn1nccc1COCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 284110087 YQAJZBKQVNGTMB-UHFFFAOYSA-N 397.413 -0.060 5 20 GBBD COc1ccc(NC(=O)[C@@H](C)N2CCN(CC(N)=O)C(=O)C2)c([N+](=O)[O-])c1 459700243 MQLOPINOMBLSIR-SNVBAGLBSA-N 379.373 -0.440 5 20 GBBD Cn1cc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n(C)c1=O 467099445 HLSCSFGJDNKEHR-UHFFFAOYSA-N 376.325 -0.055 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])c1 507905183 WNPVBVRPGMRTJT-SNVBAGLBSA-N 380.400 -0.305 5 20 GBBD Nc1nc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)ncc1[N+](=O)[O-] 568022026 GWUVPKVFVZXTOX-UHFFFAOYSA-N 393.429 0.124 5 20 GBBD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593592364 YOMHSRUKBVVRCA-ONGXEEELSA-N 378.432 -0.014 5 20 GBBD COCC(=O)NC1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598590930 SPAUOWHDJJAROE-UHFFFAOYSA-N 380.405 -0.047 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(NS(N)(=O)=O)CC1 600550547 XDBXTQCRJATJFH-SNVBAGLBSA-N 399.429 -0.503 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCO)CCC(=O)O 614375911 FDYSZRPTXYWLOT-UHFFFAOYSA-N 376.343 -0.161 5 20 GBBD O=Cc1ccc(OCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 790238336 HPJBWTPLIUKMJA-INIZCTEOSA-N 376.325 -0.013 5 20 GBBD O=C(O)Cn1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 833275282 VSBYGEBUNRZVMX-UHFFFAOYSA-N 396.385 -0.218 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2cccc(O)c2)CC1 1324315662 GMBXUOMBABDREU-UHFFFAOYSA-N 388.384 -0.038 5 20 GBBD COC(=O)C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 1326574003 XNZVACQUWJRUKQ-CQSZACIVSA-N 395.368 -0.120 5 20 GBBD COC(=O)[C@H](CCF)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591231172 DVALVOVZTDEKSE-VIFPVBQESA-N 388.337 -0.046 5 20 GBBD C[C@@H](C(=O)NC1CC1)N1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1603007997 NAEXHSBEVSOPTN-JTQLQIEISA-N 387.404 -0.041 5 20 GBBD O=C(Cc1cnc[nH]1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382776 XWWZMVCYNLDMBH-INIZCTEOSA-N 389.372 -0.273 5 20 GBBD O=C(c1ncon1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779867796 WTDCTEWKDVHKLI-CQSZACIVSA-N 377.317 -0.542 5 20 GBBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1793103872 LDFNNSTXOJTGMN-UJPVVMEISA-N 381.341 -0.899 5 20 GBBD Cn1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)n1 1794933929 CQWLNIZKTLWART-ZSBIGDGJSA-N 388.388 -0.128 5 20 GBBD CC[C@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011093 NYVQPMSZVURWMN-BJUWDHJGSA-N 394.432 -0.106 5 20 GBBD O=C1CC(C(=O)N2CCCC23CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)=NN1 1844224363 IQZILANQKLLTLH-UHFFFAOYSA-N 387.352 -0.007 5 20 GBBD COc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)c([N+](=O)[O-])cc1O 1844737277 SBFJPPFXUWSUHS-NSHDSACASA-N 393.400 -0.588 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1846742378 JTVWSPGXGQMCFK-NHAGDIPZSA-N 375.385 -0.113 5 20 GBBD CN(C[C@H](O)CO)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 273841227 MEZBUYIAVMXMNT-GXTWGEPZSA-N 387.414 -0.441 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCS(=O)(=O)CC1 281053350 XSNVSEYDQDPXDX-UHFFFAOYSA-N 377.400 -0.870 5 20 GBBD NC(=O)[C@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1 288045370 IHSCYPLDLGRAQI-CQSZACIVSA-N 378.385 -0.254 5 20 GBBD CCOC[C@@H](O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 433364975 OTVIFIOBPUGJJA-LBPRGKRZSA-N 375.403 -0.223 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 546088892 VOBZYOQZEJOOMO-NSHDSACASA-N 387.418 -0.210 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 581946867 FQZLNEBTFAGLBL-SECBINFHSA-N 396.381 -0.659 5 20 GBBD COC(=O)c1ccnc(Nc2ccn(CC(=O)N3CCOCC3)n2)c1[N+](=O)[O-] 598598744 UHUBGRJARQWXIR-UHFFFAOYSA-N 390.356 0.575 5 20 GBBD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750761604 RZSZJUWIBWHGMV-PHIMTYICSA-N 396.381 -0.030 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 826026977 GTCAIFDFCFPDEL-RHSMWYFYSA-N 392.412 -0.323 5 20 GBBD CCONC(=O)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1118302064 YVNFYPVKRCZMHR-UHFFFAOYSA-N 379.373 -0.573 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1327023520 PAACYQDNUBHJIS-NSHDSACASA-N 378.389 -0.356 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN3CCOC[C@@H]3C2)c1-c1nn[nH]n1 1593484191 QMWWIHJUOXOIQG-JTQLQIEISA-N 395.401 -0.520 5 20 GBBD CN1CCN(CCN(CC(=O)O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1610136865 SJHGOUJIPUCIBO-UHFFFAOYSA-N 386.430 -0.083 5 20 GBBD CCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])COC1 1796405668 KYIUHUKNXBYCIB-ZSBIGDGJSA-N 393.400 -0.052 5 20 GBBD Cn1ncc2c(N3CCN(C(=O)c4cc([N+](=O)[O-])c[nH]c4=O)CC3)ncnc21 23463067 YMBVZKVMHDRVOZ-UHFFFAOYSA-N 384.356 -0.078 5 20 GBBD Cc1ccnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1[N+](=O)[O-] 265146253 ADGHWFAJGXNJHS-UHFFFAOYSA-N 384.462 -0.088 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H](O)CN2)CC1 269188858 KLBPQIVETCBOSN-UONOGXRCSA-N 398.441 -0.541 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 273111082 GHRJTDXFHHGMMF-UHFFFAOYSA-N 399.429 -0.585 5 20 GBBD C[C@H](CN)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419944978 BTMQMQXDIQBEFD-GFCCVEGCSA-N 377.401 -0.410 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1 436780637 PHUQEMXRVHFPRQ-UHFFFAOYSA-N 390.352 -0.266 5 20 GBBD CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 532093057 XHUDLZLOAKZIRS-UHFFFAOYSA-N 379.417 -0.185 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC[C@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1 540390054 BNEAWHSIUOCQSI-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD C[C@@H](C[C@@H](C)N)NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 563537614 UDYJEVNWHIEGTR-MNOVXSKESA-N 386.430 -0.273 5 20 GBBD COC(=O)c1ccnc(N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] 598590077 JUTJYBULRSMDPO-UHFFFAOYSA-N 376.333 -0.888 5 20 GBBD Cn1c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1[N+](=O)[O-] 604181368 DUPXFIQTZBTOEU-UHFFFAOYSA-N 377.357 -0.633 5 20 GBBD COc1c(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-] 796308753 FDMAOOJNEHQDNH-UHFFFAOYSA-N 392.324 -0.377 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)C[C@H]12 1324903048 YIAJLRWUMLPCSU-CYBMUJFWSA-N 387.352 -0.758 5 20 GBBD CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2)C(=O)O 1796091927 YLSYDIRGKOULPH-LMLFDSFASA-N 394.388 -0.368 5 20 GBBD CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841584660 CPFQOPFUJOBPDI-UHFFFAOYSA-N 399.429 -0.571 5 20 GBBD Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 350885475 BKZIZRFQMVRHJO-UHFFFAOYSA-N 384.312 -0.009 5 20 GBBD CCN1C(=O)[C@H]2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CCN2C1=O 363985219 IOWOMYYEOFMCCB-SNVBAGLBSA-N 383.386 -0.285 5 20 GBBD C[C@@H]1OCC[C@]1(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 447741430 KXQKBDYKUQTQPD-NHYWBVRUSA-N 387.414 -0.081 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)c(C)c([N+](=O)[O-])c1 487770104 LHXAQQHZRQVJDS-NSHDSACASA-N 378.341 -0.025 5 20 GBBD Cn1ccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 542662294 VLAAPQCJWAFBFR-UHFFFAOYSA-N 381.370 -0.143 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCC(=O)N1CCNC1=O 730627991 QLYUOEXWMBCFGS-UHFFFAOYSA-N 381.297 -0.110 5 20 GBBD O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 834397247 NNMYVUYXFQOEAI-CQSZACIVSA-N 395.397 -0.116 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NOCCN1CCCC1=O 856044690 SOXHWKFXOLDGHV-UHFFFAOYSA-N 386.386 -0.457 5 20 GBBD O=C(NN1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 862738086 XRPFWCJFCRATML-UHFFFAOYSA-N 384.414 -0.193 5 20 GBBD CCN(C(=O)[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 913301716 WWRRZQYLJBFBKQ-WDEREUQCSA-N 388.402 -0.241 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 1327010943 UHMKCSMOQWAFOU-UHFFFAOYSA-N 396.425 -0.417 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)n1 1606243769 PZQIMJHCCXSLPI-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)c([N+](=O)[O-])c1 1843349999 RPKHWYRMCVYZMF-AWEZNQCLSA-N 391.428 -0.365 5 20 GBBD Cn1c(=O)c2nc(CN3CCC(n4ccc([N+](=O)[O-])n4)CC3)[nH]c2n(C)c1=O 370059886 LYIGCBHBBHUAHI-UHFFFAOYSA-N 388.388 -0.098 5 20 GBBD COc1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc([N+](=O)[O-])c1OC 424248748 SNCHJZSIPHIQTI-NSHDSACASA-N 388.354 -0.064 5 20 GBBD CCS(=O)(=O)N(C)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 560432436 DQAMYQREIMODTJ-UHFFFAOYSA-N 396.429 0.348 5 20 GBBD CS(=O)(=O)c1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc([N+](=O)[O-])c1 573322548 KMSLKSTXIIOWNU-UHFFFAOYSA-N 395.401 -0.222 5 20 GBBD O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC(S(=O)(=O)N2CCNCC2)C1 573848575 DIOUSTZTDAXXOY-UHFFFAOYSA-N 398.397 -0.617 5 20 GBBD O=C(O)[C@H]1CC(=O)N(C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)C1 593702053 OGURTYXIJOOFMK-NSHDSACASA-N 394.388 -0.102 5 20 GBBD Cc1c(C(=O)N[C@H]2CCc3c(nnn3C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 594402606 SQUSQJPJIRDZTN-VIFPVBQESA-N 394.413 -0.034 5 20 GBBD O=C(Cn1cncn1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 603455310 GHQZDOBXUNPBFN-UHFFFAOYSA-N 380.386 -0.281 5 20 GBBD C[C@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 611090975 AULQPPSZPAKUAS-SNVBAGLBSA-N 393.443 -0.188 5 20 GBBD O=C(C(=O)N1CCN2CCOC[C@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1325945977 WCOSJOOUCRIZSE-CQSZACIVSA-N 390.396 -0.273 5 20 GBBD NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419394 MJMHIFWYFUOOEQ-INIZCTEOSA-N 379.373 -0.368 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781937410 UMOBZMVGIYCLAD-WMLDXEAASA-N 393.400 -0.970 5 20 GBBD CC(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792610219 MBLVAYABQVYMHF-FVCICTRLSA-N 395.416 -0.194 5 20 GBBD Cn1ccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1794874310 JRIDZCPJSIBDLF-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD CC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795140730 ZUKPWJRLAQHZIJ-FVCICTRLSA-N 393.400 -0.250 5 20 GBBD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)cc1[N+](=O)[O-] 1799328245 KIIDIDUQPHTDQR-YWVIFJGQSA-N 393.396 -0.654 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1837799213 WWGYNWCYIQFRMN-XMZIXOGTSA-N 397.363 -0.254 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2cc[nH]n2)C1 1841700122 JFKLDLIZEFZXJE-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD O=C(C[C@H]1CNCCO1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 269194318 PVGUUFYRLCUSOT-AWEZNQCLSA-N 398.441 -0.194 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 273679504 YQYRKAQNOBBCAI-GFCCVEGCSA-N 392.459 -0.070 5 20 GBBD Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 275967642 UGEXYJWDAXWFFJ-NSHDSACASA-N 375.341 -0.989 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(CC(N)=O)C(=O)C1 459713905 XQVOBXZBPRDNEN-SNVBAGLBSA-N 379.373 -0.440 5 20 GBBD O=C1NC[C@H]2CN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCN2C1=O 485439358 LVPICTBFASUZQO-LBPRGKRZSA-N 389.368 -0.465 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1)N1CCOCC1 517564055 UEKJMKHSYVREJR-UHFFFAOYSA-N 394.359 -0.123 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CS(=O)(=O)C[C@H]1O 567289283 IKWXADRLUIJOEE-ZYHUDNBSSA-N 381.366 -0.204 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 594822156 KWPKGTVQAIXTTE-WPRPVWTQSA-N 380.400 -0.306 5 20 GBBD C[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 599253822 OGFPCZHSONGVQL-PSASIEDQSA-N 383.390 -0.466 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)c([N+](=O)[O-])n1 599530970 YNQCVYFQULFKNT-SNVBAGLBSA-N 395.463 -0.239 5 20 GBBD COC(=O)[C@](C)(NC(=O)c1cnn(C[C@H](O)CO)c1)c1cccc([N+](=O)[O-])c1 600537861 PANKHFUYFRRNJU-WMLDXEAASA-N 392.368 -0.037 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 619873103 CHDJRMOANXOGLI-NSHDSACASA-N 399.429 -0.679 5 20 GBBD CNS(=O)(=O)C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 732049611 VXMRRUDGEYMDSV-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD COCCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 826160291 MLNXBJYYXYSAFD-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD COc1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)CNC(C)=O)c([N+](=O)[O-])c1 919507194 KQQYQJOVZXLPLV-SECBINFHSA-N 396.356 -0.274 5 20 GBBD CC(=O)NCC(=O)N1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 1329201845 RYMKYETZAQJTQT-UHFFFAOYSA-N 380.405 -0.313 5 20 GBBD Cc1nc2ncn(Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])n2c(=O)c1CCO 1606083824 OXMSLEOSONMQRB-UHFFFAOYSA-N 397.355 -0.129 5 20 GBBD CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1834934650 AYLILYNCIQUKKP-KRWDZBQOSA-N 396.400 -0.181 5 20 GBBD O=C(Cn1nccc1[N+](=O)[O-])N1CCN(C(=O)Cn2nccc2[N+](=O)[O-])CC1 269134631 PMONFAMYBOIWHN-UHFFFAOYSA-N 392.332 -0.733 5 20 GBBD C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1nccn2cnnc12 269398904 YSIDIGCHYCSNDW-GXTWGEPZSA-N 387.404 -0.199 5 20 GBBD COC[C@@H](O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 270876239 MRIRORRKMORPCM-LBPRGKRZSA-N 390.418 -0.430 5 20 GBBD Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc([N+](=O)[O-])c1F 275184389 XBRGTMXAUPXZHI-JTQLQIEISA-N 396.374 -0.085 5 20 GBBD O=C1[C@@H]2[C@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 349362438 IXMXFKMMEZCDLL-OLZOCXBDSA-N 398.397 -0.339 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 372148733 GAWNZGHYAQTCQY-SNVBAGLBSA-N 379.416 -0.084 5 20 GBBD CN(C)C(=O)CNC(=O)c1cc(C(=O)NCC(=O)N(C)C)cc([N+](=O)[O-])c1 460774328 BRJNZYBRGZPRDE-UHFFFAOYSA-N 379.373 -0.769 5 20 GBBD CN1CCOC[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 485942252 CVAUMSLKIGICCJ-CQSZACIVSA-N 386.430 -0.143 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c([N+](=O)[O-])n1 511416719 WHBVJNBOHSTCDM-SNVBAGLBSA-N 395.463 -0.096 5 20 GBBD COc1cc(CCNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])cc1OC 590415584 GGDBVOMIZOPIOA-XJKCOSOUSA-N 382.369 -0.317 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 592321035 HEPZVRPSOYFMJG-GXSJLCMTSA-N 381.341 -0.076 5 20 GBBD O=C(c1cc(C(=O)N2CCOCCN2)cc([N+](=O)[O-])c1)N1CCOCCN1 597706737 YYPGIXAMYBCBBE-UHFFFAOYSA-N 379.373 -0.451 5 20 GBBD COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 598009421 GVOGRFKNYCJPOC-TVQRCGJNSA-N 387.370 -0.680 5 20 GBBD NC(=O)[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(-c2nn[nH]n2)cc1 737741607 PEPHPRFBGIQDJG-CQSZACIVSA-N 399.323 -0.294 5 20 GBBD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750760886 DEKNAPWNODYUIP-SNVBAGLBSA-N 392.415 -0.391 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] 767238385 GIBPGFBIVWAAEV-GFCCVEGCSA-N 386.386 -0.263 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)Cn2nc(C)n(C)c2=O)cccc1[N+](=O)[O-] 847730016 MMDOATSGFWSSLJ-UHFFFAOYSA-N 383.386 -0.247 5 20 GBBD CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 854878050 AHPGNRKFULQBQI-ZWNOBZJWSA-N 382.373 -0.147 5 20 GBBD CN(C)S(=O)(=O)c1ccc(NC[C@]2(O)CCS(=O)(=O)C2)c([N+](=O)[O-])c1 856761633 VNJABNGVMDCDLD-CYBMUJFWSA-N 393.443 -0.193 5 20 GBBD CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1116998585 DIGFWXXXWVZXQI-UHFFFAOYSA-N 398.441 -0.001 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[C@@H]2C1 1330499832 NLCPJRSKMRWLLS-VXGBXAGGSA-N 396.425 -0.142 5 20 GBBD CS(=O)(=O)C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1605352373 AGWUDJMXSPGVAY-UHFFFAOYSA-N 388.387 -0.808 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783483167 LRGQLTGESQZZBR-YOEHRIQHSA-N 393.400 -0.200 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)O)C3)C2)n1 1783524583 ZMYXOJIMVCCBAR-GTNSWQLSSA-N 394.384 -0.177 5 20 GBBD CC(C)(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404080 XQBHGZMHOCEIMJ-LSCVPOLPSA-N 395.416 -0.072 5 20 GBBD CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837798973 KJQGNMCQMGHDIG-INIZCTEOSA-N 395.372 -0.633 5 20 GBBD Cn1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 265742201 CLPQDBKOQIEWQU-UHFFFAOYSA-N 375.341 -0.249 5 20 GBBD COc1nc(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n[nH]1 271274394 MOGGTFORWYEYCC-UHFFFAOYSA-N 385.362 -0.190 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1[N+](=O)[O-] 275479958 XCTZSZALPIKSHH-CQSZACIVSA-N 387.370 -0.019 5 20 GBBD C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(=O)N1C 282383117 NTWCGXXAQIRDIT-SNVBAGLBSA-N 399.429 -0.267 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420998426 BPSYITWKGNNUJN-SNVBAGLBSA-N 387.418 -0.351 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 498759973 NOCVYCVNTJCLRI-SNVBAGLBSA-N 382.398 -0.003 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 505975491 FADZVAHFEPWMEI-CYBMUJFWSA-N 382.421 -0.523 5 20 GBBD COC[C@H](CCO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 533702558 YCZAKVFCRPXZAE-NSHDSACASA-N 375.403 -0.223 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)O)c([N+](=O)[O-])n1 547899075 OBLPLEPPTANHNQ-SNVBAGLBSA-N 386.390 -0.234 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)C1 563073618 YAFDADSSBUTKID-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccnc(N)c1[N+](=O)[O-] 571818545 HNSOGUZDWHBQQZ-GWOFURMSSA-N 378.341 0.137 5 20 GBBD O=[N+]([O-])c1c(NCCN2CCS(=O)(=O)CC2)ncnc1N1CCOCC1 598591187 VOJPMIFWCFCFQY-UHFFFAOYSA-N 386.434 -0.636 5 20 GBBD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 1794006320 LEXPCISJVARMKR-DRXBFXEBSA-N 391.384 -0.640 5 20 GBBD CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836507924 BEJRLXASOGEXJW-ZBEGNZNMSA-N 397.388 -0.577 5 20 GBBD CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799160 UNBFZUGFJIHYAY-MEDUHNTESA-N 397.388 -0.577 5 20 GBBD CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389785 FVDCTWJXDSEIMV-LLVKDONJSA-N 396.360 -0.801 5 20 GBBD CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165355 JPBQLTQGNNJLRN-UGFHNGPFSA-N 392.416 -0.140 5 20 GBBD C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O 272009588 JZTYGHOUIVBRGG-NSHDSACASA-N 384.414 -0.183 5 20 GBBD Cn1c(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc(=O)n(C)c1=O 293147027 NXYBDNACTGHBGE-UHFFFAOYSA-N 387.396 -0.050 5 20 GBBD C[C@]1(O)C[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 416281025 DCNAJWWLIFOFON-BQNAKDMGSA-N 399.425 -0.252 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 425614974 YKDUAEPOWGKFBK-NSHDSACASA-N 376.373 -0.031 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 501137402 UQRRQFCSERRKAJ-LBPRGKRZSA-N 382.421 -0.373 5 20 GBBD NC(=O)N1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 519133091 KTSXXZKZGCDJRR-UHFFFAOYSA-N 399.429 -0.124 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 596747824 JZXYGILRLZKCHT-CHWSQXEVSA-N 399.429 -0.367 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)n1 599272103 PHGLMVXTTZTWBR-SNVBAGLBSA-N 397.417 -0.469 5 20 GBBD CNC(=O)NC[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 599540319 YRZMXBJISGZXBN-SNVBAGLBSA-N 395.372 -0.108 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 600014696 APDRRCCDUJPNEE-NSHDSACASA-N 379.373 -0.002 5 20 GBBD Cc1c(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cccc1[N+](=O)[O-] 600084334 BIQDDOYIKMJBMS-UHFFFAOYSA-N 385.402 -0.551 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 778852831 KSSJTGKSLLAJEE-LLVKDONJSA-N 392.324 -0.443 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 781668566 JRYLWVQQRCOATL-UHFFFAOYSA-N 377.357 -0.190 5 20 GBBD C[C@H]1NC(=O)N(CCOC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 837307664 WPALMFYCXNLPQV-MRVPVSSYSA-N 390.308 -0.326 5 20 GBBD NS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 859370844 KSOFAUPLWJTMJT-UHFFFAOYSA-N 382.395 -0.320 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCN1C(=O)CCC1=O 920719789 GGDILRKWBBIMBL-UHFFFAOYSA-N 399.381 -0.045 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 1321597280 KGHSCSMOQCPJOW-UHFFFAOYSA-N 391.428 -0.120 5 20 GBBD C[C@@H](O)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1325669998 QELYFKATQXKREC-GFCCVEGCSA-N 378.385 -0.282 5 20 GBBD Nc1nccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1[N+](=O)[O-] 1332852072 AUUDNGZWKWMIJD-UHFFFAOYSA-N 383.430 -0.093 5 20 GBBD CN(C)S(=O)(=O)CC1(O)CCN(c2nc(C(=O)O)ccc2[N+](=O)[O-])CC1 1777034078 SGBHXLZHTUGBJA-UHFFFAOYSA-N 388.402 -0.089 5 20 GBBD O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1793699608 VFHZSMXRSUMYFM-YWVIFJGQSA-N 393.396 -0.572 5 20 GBBD CN(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794003741 USWMJFBIUGUDNG-FVCICTRLSA-N 394.432 -0.667 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccno1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011113 PQZSGARKQVTUMM-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839352976 CJQPRWJRGRDYQD-KRWDZBQOSA-N 396.375 -0.237 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1csc([N+](=O)[O-])c1 264212920 UHJAWSFUYGPVTF-MNOVXSKESA-N 375.428 -0.116 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 265364705 YOJDUMNOHJYYTK-VIFPVBQESA-N 396.381 -0.659 5 20 GBBD Nc1ncnc2c1ncn2CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 271501479 HMVRIKBSKBXJJL-BXUZGUMPSA-N 387.356 -0.473 5 20 GBBD NC(=O)CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 271955357 BWZHDCWZLMXLOQ-UHFFFAOYSA-N 377.401 -0.326 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1[N+](=O)[O-] 275326714 YOEGUFSPGXSLBN-UHFFFAOYSA-N 385.395 -0.040 5 20 GBBD CCOC(=O)[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 280134104 PDYTYRNWOHSQNA-NSHDSACASA-N 385.354 -0.148 5 20 GBBD CS(=O)(=O)c1cccc(N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c1[N+](=O)[O-] 424472795 PRELCYIZWBXTOY-SNVBAGLBSA-N 378.384 -0.314 5 20 GBBD Cc1c(C(=O)N[C@H]2CCC(=O)N(C)C2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 425094459 UMFHTOMMYKWCDV-JTQLQIEISA-N 384.370 -0.572 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)[C@H]1CCCO1 468661184 KCMUUROLVUWOAT-ZIAGYGMSSA-N 387.414 -0.081 5 20 GBBD NC(=O)NC1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 479981769 HLTCCZLIHLFJIC-UHFFFAOYSA-N 399.429 -0.078 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCO1 518483430 ZFVJQJQUVNYEDY-GFCCVEGCSA-N 388.402 -0.412 5 20 GBBD NC(=O)C(NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(N)=O 536555179 PMWNVEXJXJMNDS-UHFFFAOYSA-N 392.109 -0.732 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 596747827 JZXYGILRLZKCHT-STQMWFEESA-N 399.429 -0.367 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC=CCN1 600138107 YUKOFTCUZXIZDA-YPMHNXCESA-N 382.398 -0.378 5 20 GBBD Cc1nc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C(=O)NCCO)n1C 617886547 OCOZYELWJYGVSP-UHFFFAOYSA-N 378.345 -0.841 5 20 GBBD COC(=O)CN(CC(=O)O)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 737620179 RBWNWQZOUXGEKW-UHFFFAOYSA-N 390.326 -0.386 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])cn2C)CC1 805759815 QSCRRABQMSGCCJ-UHFFFAOYSA-N 381.389 -0.678 5 20 GBBD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2ncc([N+](=O)[O-])n2)CC1 863374810 UVIMVWWKVLNQGR-UHFFFAOYSA-N 399.389 -0.676 5 20 GBBD O=C(NC[C@@H]1CCS(=O)(=O)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1323252368 SPIWSPRVWNUOCK-NSHDSACASA-N 397.409 -0.265 5 20 GBBD Cn1c(CO)nnc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1348127547 HGYKIJKCXMQMAM-UHFFFAOYSA-N 382.402 -0.274 5 20 GBBD Cn1ncnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382191 CHKJTTDNHZDVLH-OAHLLOKOSA-N 390.360 -0.796 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2)c1n[nH]cc1[N+](=O)[O-] 1798008727 HYROXMICYIBMFN-YBLIIWNKSA-N 379.373 -0.708 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1)C(O)O 1802920002 KOQAYCCFYBZRTC-GXFFZTMASA-N 390.356 -0.657 5 20 GBBD CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1843336625 RGKDKKKRKMSSQR-SECBINFHSA-N 379.377 -0.418 5 20 GBBD COC[C@@H](O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 270930806 WTEMWHKSVZRAGS-LBPRGKRZSA-N 390.418 -0.430 5 20 GBBD NC[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 274794577 NSZQUBUUORWXDG-JTQLQIEISA-N 387.418 -0.770 5 20 GBBD CN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 281385943 WKZJHCRHKCUJNM-BZPMIXESSA-N 399.425 -0.034 5 20 GBBD CNC(=O)C1(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 421971923 BMPDNIJMDCMBSF-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cncn1 422161259 UGFGLJDPXVKWOY-UHFFFAOYSA-N 397.417 -0.194 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1CN(S(C)(=O)=O)C1 428888338 ZWFFUNDKPLSYIF-NSHDSACASA-N 388.450 -0.165 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 470790092 PQJLQPHFSFABJS-UHFFFAOYSA-N 392.459 -0.502 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)C1 563232052 SBGNPXDXEAHYBM-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 592321036 HEPZVRPSOYFMJG-KOLCDFICSA-N 381.341 -0.076 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)O 594543868 ITUKFOULXGRJHG-NSHDSACASA-N 392.368 -0.284 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)OC 594824848 SUJBFWVMHBBTIT-CMPLNLGQSA-N 388.354 -0.010 5 20 GBBD NC(=O)C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 600684187 ZABAUSIRXWUIOX-NSHDSACASA-N 378.341 -0.577 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 742405220 CGIGJGWUQXVFGC-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 797299603 KHAXMQMDDQPJEE-QMMMGPOBSA-N 383.342 -0.203 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 800631617 UTOXZCUGSQOJKS-JTQLQIEISA-N 379.304 -0.257 5 20 GBBD O=C(NCCN1C(=O)CCC1=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1346314676 FEZFDBACPBWTAP-UHFFFAOYSA-N 390.352 -0.550 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN)[C@H]3C2)n1 1786795942 GEXKBHRFOJKUEO-GVXVVHGQSA-N 393.400 -0.450 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 265706497 SRXOQPPABGMVHX-AWEZNQCLSA-N 399.473 -0.423 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 283488164 IJEUVOZUQCWSPA-UHFFFAOYSA-N 392.459 -0.451 5 20 GBBD CCOC(=O)[C@@H]1NCC[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 422978142 HCQBVPWBFHRAMD-SMDDNHRTSA-N 386.430 -0.244 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCN1CCNCC1 576703540 KGCGXHGCFAEZMN-UHFFFAOYSA-N 385.446 -0.715 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)Cn1ccnn1 582431336 AIBHFVIOQFNEIY-JTQLQIEISA-N 385.358 -0.688 5 20 GBBD O=C(NCC[C@H]1CCCN1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 583490339 WBEODMBESXZKBK-CYBMUJFWSA-N 376.417 -0.103 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)COCCN)CC2)c([N+](=O)[O-])c1 591934089 HTNOFMZJJZHTDG-UHFFFAOYSA-N 386.430 -0.378 5 20 GBBD COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] 594826803 OAEJNBGMOWSMAO-SKDRFNHKSA-N 380.400 -0.306 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 594878902 MAXSKHFBMIJNAV-UONOGXRCSA-N 390.400 -0.836 5 20 GBBD Cn1nncc1CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 596681749 IJIRHVCHWNJZFX-UHFFFAOYSA-N 382.402 -0.102 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CO)CN1CCOCC1 619871129 VGXMIQBFYRGHDM-JSGCOSHPSA-N 380.401 -0.478 5 20 GBBD NC(=O)C1=NO[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 793909065 UQRZRJBIQHHZRW-VIFPVBQESA-N 377.313 -0.933 5 20 GBBD COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 915354682 UUFDPOCDSDWURT-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD Cn1c(CO)nnc1N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1123130256 NLVXZJLFAUBJER-UHFFFAOYSA-N 396.429 -0.054 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 1346556970 OYRJJUUHKJONFJ-CYBMUJFWSA-N 394.432 -0.475 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1603335457 PHBFKEQPOQZPKF-UHFFFAOYSA-N 388.388 -0.052 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@@H](O)C[C@H]1CO 274670845 XUKLPLMANCDBQL-RYUDHWBXSA-N 387.414 -0.452 5 20 GBBD NC(=O)[C@H]1CN(C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 298171417 CJHQBEBWABYXOI-CQSZACIVSA-N 376.369 -0.202 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 443486070 PUJPZMZFZLDAPT-UHFFFAOYSA-N 392.459 -0.451 5 20 GBBD CN1CCN(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 444322563 ZCQPMUTVKRQUNR-UHFFFAOYSA-N 384.414 -0.741 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 510136792 XGKXMWBRPDWVRW-LLVKDONJSA-N 384.414 -0.278 5 20 GBBD C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN(C)C 517245925 FZLSNPAQGYFVHU-NEPJUHHUSA-N 395.416 -0.025 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 575130045 IMPPCQJAYCXPTP-VIFPVBQESA-N 386.386 -0.308 5 20 GBBD CN(Cc1ccccc1S(N)(=O)=O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599316433 ADKWQRBBTUBTCW-UHFFFAOYSA-N 389.415 -0.204 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O 609912563 MBODMEWVBATNLX-FVMDXXJSSA-N 375.341 -0.476 5 20 GBBD CN1C[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC1=O 609995433 BVQCHADZEKWKHL-JTQLQIEISA-N 399.429 -0.219 5 20 GBBD O=C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611623741 NBXCFMVQSVJAPS-OCCSQVGLSA-N 397.409 -0.090 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 737766775 WEXBBGAIBNMMNJ-SECBINFHSA-N 382.406 -0.216 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 741108398 BXMGJMAWDXKFIG-UHFFFAOYSA-N 392.357 -0.338 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 746236871 MRYLQOZMLSUPDQ-VHSXEESVSA-N 379.381 -0.060 5 20 GBBD CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)s1 746428631 NOGVCVNDFUESKW-UHFFFAOYSA-N 387.399 -0.006 5 20 GBBD C[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 748134373 PHHMSNNPIWLWII-JOLIMNQDSA-N 378.341 -0.115 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC[C@@H]1CCS(=O)(=O)C1 796274732 SISHQZKMCLMGNO-JTQLQIEISA-N 392.411 -0.149 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCCn3cnnn3)cc2[N+](=O)[O-])CC1 816287190 RDNFYTNBYCNHOO-UHFFFAOYSA-N 388.388 -0.320 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011162 VCVZZXUKGKZQLC-GNXNZQSNSA-N 389.372 -0.582 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1C[C@H](O)CN1 1799479549 INGYDIIHAQSUQJ-ZUDIRPEPSA-N 377.401 -0.103 5 20 GBBD O=C1NC(=O)[C@@H](CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)N1 1844827857 NQNWUDNUQMNGFP-SNVBAGLBSA-N 390.356 -0.662 5 20 GBBD CC(C)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57405134 MUFGRFXHFSRAON-UHFFFAOYSA-N 393.443 -0.188 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 274571682 BAMNUOWIXLEVKB-NSHDSACASA-N 399.429 -0.644 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](O)C[C@H]1CO 274940570 NMCBDUZYPGECCD-RYUDHWBXSA-N 388.402 -0.990 5 20 GBBD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 282107988 FPSHGSKCJRACLN-GXFFZTMASA-N 399.429 -0.303 5 20 GBBD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 282403037 XKKYASFXUJQCDV-MFKMUULPSA-N 399.429 -0.303 5 20 GBBD COC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 298189340 CVGNZXZDFIXYPJ-KOLCDFICSA-N 387.370 -0.992 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(=O)NCC1CC1 421214210 NHTXKPBIVOTMNP-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD CCN1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 552309939 BDZYNHFJSVILCC-UHFFFAOYSA-N 398.441 -0.108 5 20 GBBD O=C(NCCNC(=O)c1cnccn1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 582078841 ILTSYIORVIZUBY-UHFFFAOYSA-N 398.379 -0.184 5 20 GBBD COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 600013072 VBZCSTFAFHLLLI-UWVGGRQHSA-N 385.402 -0.239 5 20 GBBD NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 748172698 KUUDMDJYQRQQJN-ZDUSSCGKSA-N 392.368 -0.266 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 749790259 IITNAXHYGAZOMQ-ZDUSSCGKSA-N 397.413 -0.056 5 20 GBBD COCCN(C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1=O 820852345 ISDXFWCPVLWHDD-NSHDSACASA-N 380.405 -0.519 5 20 GBBD Cc1nccnc1N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1343188051 XXTUSEDZALCUSL-UHFFFAOYSA-N 388.388 -0.645 5 20 GBBD CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)c1nnn(C)n1 1591092944 DOACERXKXKKORM-UHFFFAOYSA-N 387.364 -0.493 5 20 GBBD O=C(Cn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1795891865 HSGHEBZIAUATJV-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1796337155 CQABAJAODYYFNA-YXPYIKCWSA-N 391.428 -0.987 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)[C@@H]1[C@H]2COC[C@H]21 1801600955 YZUGEOLCOMNYAW-QOHPJAFVSA-N 391.384 -0.587 5 20 GBBD O=C(O)CSCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000844 UZEJBQTWYCIWEZ-UHFFFAOYSA-N 397.413 -0.188 5 20 GBBD CC[C@@H](C)[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCCN1CCOCC1 264791184 UPRSMYOVMRFNAK-CJNGLKHVSA-N 396.448 -0.229 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 275079083 IIDUTTJQQUKJTO-GFCCVEGCSA-N 392.411 -0.349 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 287593283 YTZQZQIHTDWREA-UHFFFAOYSA-N 396.422 -0.187 5 20 GBBD Cc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] 299611370 GQFIDTCKJZFBBT-KGLIPLIRSA-N 383.426 -0.181 5 20 GBBD NS(=O)(=O)c1cc(N2CCN(C(=O)CN3CCCC3)CC2)cc([N+](=O)[O-])c1 488030545 YKYZXZXOIXWIPD-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD NC(=O)[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1 552186685 PUYHOZXJTUTMLL-AWEZNQCLSA-N 378.370 -0.074 5 20 GBBD O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N(CCO)CCOCCO 600117467 UOUZLLYYTPBRQG-UHFFFAOYSA-N 383.401 -0.125 5 20 GBBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 785211245 KRJAHUDTUAGAEL-SNVBAGLBSA-N 381.732 -0.051 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 817919287 PLTLKUJIZPUQTO-CZUORRHYSA-N 391.428 -0.182 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCNS(=O)(=O)Cc2ccccc2)c1 818958624 SJEZZWUHOGGYAK-OAHLLOKOSA-N 383.430 -0.139 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)[C@H]2CCN(C)S2(=O)=O)ccc1[N+](=O)[O-] 842735481 UMMPPDIBJALECQ-LLVKDONJSA-N 393.399 -0.558 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1609100642 XWYNWJYGLRLTSB-UHFFFAOYSA-N 397.421 -0.465 5 20 GBBD CC(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1784184726 JRZZFIGMBVKIQC-ZJQBRPOHSA-N 395.416 -0.072 5 20 GBBD Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1794226405 KFWOCXLJFKTKQZ-WDAIWFPHSA-N 390.356 -0.167 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cnc[nH]1 1794712741 DWRQRYZREFVOCU-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840025371 FAMZSPDBCSCSGP-BDJLRTHQSA-N 382.373 -0.626 5 20 GBBD NC(=O)c1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 14324978 AEISWFBOOMHMCA-UHFFFAOYSA-N 377.401 -0.326 5 20 GBBD O=C(Nn1cn[nH]c1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 272908680 QWPPSDMCIKTMKN-SNVBAGLBSA-N 396.385 -0.349 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 291595581 DWUIIHUOVRHYGV-KCJUWKMLSA-N 377.309 -0.674 5 20 GBBD CCNC(=O)NCCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 293701534 AIENUFGIYLHOCZ-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 428718276 FERYLZNOAWBHMJ-WECGXBHGSA-N 377.357 -0.542 5 20 GBBD O=C1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1 436012351 IHCOCQZEABQEOQ-LLVKDONJSA-N 384.370 -0.815 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 436775776 YBFXPJKNCLHGIG-ZJUUUORDSA-N 385.398 -0.030 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] 439433887 ACKNEQSSISUFRE-YPMHNXCESA-N 388.398 -0.394 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(NCc3nc(O)n[nH]3)c([N+](=O)[O-])c2)CC1 442750386 IOHHVHBDSATUGG-UHFFFAOYSA-N 397.417 -0.033 5 20 GBBD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 492518304 ZPSKOAPIQMTSOI-UHFFFAOYSA-N 390.356 -0.086 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 505939038 STOATMGKLANYBW-ZDUSSCGKSA-N 396.448 -0.215 5 20 GBBD O=C1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCCN1 726786721 GOOWPRNIUNLFJS-UHFFFAOYSA-N 384.414 -0.058 5 20 GBBD COC[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(N)=O 758304131 XFHNNZAJMFRJSS-GFCCVEGCSA-N 388.402 -0.472 5 20 GBBD CS(=O)(=O)NC[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 821937885 RVSWHZAFGWEPIX-VIFPVBQESA-N 382.406 -0.065 5 20 GBBD C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824466396 WVTASFLGYKDWDE-MRVPVSSYSA-N 379.362 -0.267 5 20 GBBD COC[C@](C)(NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 831603061 YWZALZGETWOWCJ-AWEZNQCLSA-N 389.386 -0.131 5 20 GBBD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851329666 OTKQVKCXOBUBJQ-AOOOYVTPSA-N 394.365 -0.254 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1604926601 GYSCGJOJGUWSCZ-GFCCVEGCSA-N 396.385 -0.453 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1604930852 TWBVHAOQDWPQQP-LBPRGKRZSA-N 375.345 -0.362 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1783178103 JHAZCQQKNLHHIO-GTNSWQLSSA-N 393.400 -0.109 5 20 GBBD N=C(N)NCC(=O)N1CCCC12CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1842885283 UABRQEWMBBWOJP-UHFFFAOYSA-N 392.391 -0.037 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084903 JDQVLIZQTPQSOO-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389832 IWLBPZUIZZDREU-JTQLQIEISA-N 393.404 -0.158 5 20 GBBD C[C@H](C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)n1cnnn1 1846645664 VDPWZZFCKSHKJA-SECBINFHSA-N 375.349 -0.617 5 20 GBBD O=C1OCCN1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]c1[N+](=O)[O-] 1847693117 PEZRHVRJWBORFX-UWVGGRQHSA-N 378.345 -0.415 5 20 GBBD C[C@H]1OCC[C@@H]1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 275983282 FEUAYUXNXITLTM-PWSUYJOCSA-N 393.443 -0.030 5 20 GBBD COCCN(C(=O)Cn1c(C)ccc([N+](=O)[O-])c1=O)[C@H]1CCS(=O)(=O)C1 276222385 MCUMINDYCBXLDH-LBPRGKRZSA-N 387.414 -0.273 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 282326866 CYKPFLUVHRYQIZ-VIFPVBQESA-N 393.331 -0.850 5 20 GBBD NS(=O)(=O)CCOCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 288893636 IVYGZGRDBZRLHQ-UHFFFAOYSA-N 381.432 -0.638 5 20 GBBD O=C1C[C@H](N(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C2CC2)C(=O)N1 368288264 FWPZUGWIENCKNX-NSHDSACASA-N 386.320 -0.403 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])n1 435801502 UVIWQVMIBYBFGT-LLVKDONJSA-N 387.418 -0.177 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 441004201 XARCOHSDODNRSL-AWEZNQCLSA-N 380.401 -0.007 5 20 GBBD O=C1NC[C@@H]2CN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CCN2C1=O 485439357 LVPICTBFASUZQO-GFCCVEGCSA-N 389.368 -0.465 5 20 GBBD O=C1CN(CCCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1 495451214 CQXNVLZYEMUBEN-UHFFFAOYSA-N 391.384 -0.742 5 20 GBBD Cc1cc(C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCOCC2)ccc1[N+](=O)[O-] 542950805 ZVBCEVICLRPMFK-LBPRGKRZSA-N 378.385 -0.003 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)c1cnccn1 758561238 YBKBUZHEHYQBBD-UHFFFAOYSA-N 393.337 -0.385 5 20 GBBD O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)nc1 826426204 HOLMRPCSODSCIG-ZIAGYGMSSA-N 385.340 -0.006 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCCN1C(=O)CCC1=O 1258428270 SLQCAJUWVDZASL-UHFFFAOYSA-N 376.369 -0.139 5 20 GBBD CN1CCC2(CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)C1=O 1343186591 UZVGXGHMUPXDIP-UHFFFAOYSA-N 378.389 -0.622 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)CC2)cc1[N+](=O)[O-] 1599482579 CIZZEQHVCILTRI-UHFFFAOYSA-N 380.357 -0.438 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1781246660 AWYJHFOLMAZGCB-BDJLRTHQSA-N 379.373 -0.499 5 20 GBBD CCC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841532142 HRWNTMILNQBQLZ-GFCCVEGCSA-N 392.416 -0.091 5 20 GBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C(=O)NC2CC2)CC1 52362210 SKWRHTDRTXQZEK-UHFFFAOYSA-N 397.413 -0.831 5 20 GBBD CCN1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 57405073 FWAQTBWAIGAXQO-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD NC(=O)CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 264257050 OJPTXBVELBWTBK-UHFFFAOYSA-N 381.414 -0.585 5 20 GBBD CCCNC(=O)CN(C)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O 296866388 ZHRTVGIUIRJEBI-UHFFFAOYSA-N 398.397 -0.276 5 20 GBBD COCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])CC1 414315290 FUYLBZASVUHVDU-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 428589741 XUWNOBKCWYZHQM-JTQLQIEISA-N 399.429 -0.267 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 443471637 ZBKXWDYOAOJFGQ-UHFFFAOYSA-N 392.459 -0.151 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@H](N3CCNCC3=O)C2)c([N+](=O)[O-])n1 485941093 OCCIUKLFYZBXSJ-NSHDSACASA-N 386.434 -0.604 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c([N+](=O)[O-])c1 487843975 RRVKCHXXVPRISF-JTQLQIEISA-N 399.381 -0.068 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CN(S(C)(=O)=O)C1 494311216 LKNQKKCWRMJSHQ-UHFFFAOYSA-N 379.416 -0.227 5 20 GBBD CNC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 538315551 LBSMGIWJORSTDR-UHFFFAOYSA-N 396.385 -0.546 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 547863222 YTPQINBGNNQFFW-NXEZZACHSA-N 375.428 -0.428 5 20 GBBD CN[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 578313946 DEHVZCXKZVNTCS-ZDUSSCGKSA-N 376.417 -0.151 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 592910277 SUOOQOHNUJTIBA-NWDGAFQWSA-N 395.368 -0.284 5 20 GBBD NC[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 595931805 YLMVZRRNGFQLTO-GJZGRUSLSA-N 398.441 -0.209 5 20 GBBD O=C1CC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])N1 596311054 GUZWDHCCGZNRRU-JTQLQIEISA-N 385.402 -0.549 5 20 GBBD COCCCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 609541893 KCVBRQPREXSWDT-UHFFFAOYSA-N 381.432 -0.171 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(NCCNC(N)=O)c([N+](=O)[O-])c2)CC1 609839859 COAUFIUONJMITE-UHFFFAOYSA-N 386.434 -0.389 5 20 GBBD O=C(NS(=O)(=O)N1CCOCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 747745980 GMPKCOZPNXWGLS-UHFFFAOYSA-N 382.358 -0.518 5 20 GBBD C[C@@]1([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)NC(=O)NC1=O 820613214 WSRSJQWEDYJLSV-GLEZIHRCSA-N 387.360 -0.016 5 20 GBBD O=C(NCCCO)C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1593079812 XVTFGHVJYXNKJO-UHFFFAOYSA-N 376.377 -0.115 5 20 GBBD CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1790844921 RKZKWXNILVJCHZ-OBJOEFQTSA-N 394.384 -0.083 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1nc[nH]n1 1796031030 SFGWQHUPJUDUAS-BZBKMWRSSA-N 375.345 -0.442 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1800532484 ZWCNLDXDGUCORB-BTABJRDXSA-N 393.400 -0.349 5 20 GBBD CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998546 QJGUDKXURRFQHK-UHFFFAOYSA-N 393.404 -0.734 5 20 GBBD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CCN1 1844413114 XNSTXCNELBEECJ-SNVBAGLBSA-N 376.373 -0.339 5 20 GBBD C[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 26541081 BVLXPFWRRGZHKQ-JTQLQIEISA-N 385.402 -0.516 5 20 GBBD O=C(NCC(=O)N1CC[C@H](N2CCNCC2)C1)NCc1ccc([N+](=O)[O-])cc1 262327963 GFYOLZUIRQTGQP-INIZCTEOSA-N 390.444 -0.100 5 20 GBBD COCCCS(=O)(=O)NCCn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O 267010174 GKCBAPRKNSEWHK-UHFFFAOYSA-N 377.375 -0.501 5 20 GBBD Cn1cc(N2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CC2=O)cn1 267426524 VTHKYFWFAQGPST-UHFFFAOYSA-N 380.386 -0.171 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 274749223 LZLMROOQMKBTOA-UHFFFAOYSA-N 390.360 -0.034 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 276194038 IHOKLXAPLBTQSB-MWLCHTKSSA-N 387.370 -0.307 5 20 GBBD COCCOCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 299160473 KCMLRYFYEMHYJX-UHFFFAOYSA-N 390.418 -0.165 5 20 GBBD CN(C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 299242387 JFLPVWNSGZGSNY-UHFFFAOYSA-N 398.441 -0.156 5 20 GBBD NC(=O)Cn1cc(NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 364987682 VETLPBVZCLIOAP-UHFFFAOYSA-N 388.340 -0.495 5 20 GBBD CO[C@H]1C[C@@H]2C(=O)N(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)N2C1 372953786 IRTPHBZAOOLQDW-CMPLNLGQSA-N 398.397 -0.075 5 20 GBBD CNS(=O)(=O)c1cccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1 427803312 XJLQPXQFMMMJSO-UHFFFAOYSA-N 389.415 -0.322 5 20 GBBD CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 467053166 FXEIRHVUARCBJP-CQSZACIVSA-N 390.370 -0.026 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 485754482 ZZAXUJOZPYQHDG-GFCCVEGCSA-N 378.341 -0.240 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 487740754 QRPSYMRFCWCJFU-ZDUSSCGKSA-N 380.357 -0.206 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCC2)CC1 508916099 PGYMDKPFUXFCCD-UHFFFAOYSA-N 390.443 -0.148 5 20 GBBD C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)N1CCS(=O)(=O)CC1 520977377 METYQJXWBQTAGX-VIFPVBQESA-N 399.381 -0.301 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 591582358 ANGZKKWTPGCAFQ-GXTWGEPZSA-N 392.416 -0.787 5 20 GBBD O=C1C[C@H](CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)N1 596643308 WTJCOJHUGSGLHC-LLVKDONJSA-N 382.398 -0.294 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)C1 611653746 PCMVNJBYVHKJNZ-MDZLAQPJSA-N 385.398 -0.688 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(n2cncn2)C1 732758591 BDKANYNRUPEOQQ-UHFFFAOYSA-N 380.386 -0.062 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCS(=O)(=O)CC(F)(F)F)n1 859220874 JXDJBVMJNUFFMI-UHFFFAOYSA-N 380.326 -0.416 5 20 GBBD COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1118750334 ZWIOMBMZNPPLKF-HAQNSBGRSA-N 391.384 -0.294 5 20 GBBD COC(=O)CCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1261385783 CDECZFNYACRSEH-UHFFFAOYSA-N 379.373 -0.292 5 20 GBBD CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1577914353 DOWUVJZLBLMKGK-ZYHUDNBSSA-N 376.377 -0.172 5 20 GBBD NCC(=O)N1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804420371 VARGWVRMZIUZSW-GUYCJALGSA-N 387.400 -0.149 5 20 GBBD CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1=O 265869152 VFMFQCKXBQLKTM-UHFFFAOYSA-N 384.414 -0.106 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 282953866 LFDCSEHPZZDEEH-NSHDSACASA-N 384.414 -0.061 5 20 GBBD C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 423705900 PXCUQXPOHIVTPE-LBPRGKRZSA-N 377.401 -0.315 5 20 GBBD NS(=O)(=O)CCCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 504475826 BMZVOQNIVYMWFI-UHFFFAOYSA-N 384.370 -0.624 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O 524577858 ZHHXKOIWGYTIPH-VIFPVBQESA-N 376.329 -0.577 5 20 GBBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CN(C)NC2=O)ccc1[N+](=O)[O-] 539782053 LESBXPZDIOZVMV-OCCSQVGLSA-N 375.385 -0.031 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 553894814 GDWYWAFSTYMGDI-UHFFFAOYSA-N 378.432 -0.326 5 20 GBBD COC[C@@](C)(O)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 583301766 RQMYJPRNHVGGKY-CQSZACIVSA-N 375.403 -0.076 5 20 GBBD CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])C1 593309728 ANKQTASRLYOETE-UHFFFAOYSA-N 393.399 -0.537 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CNc1ccccc1[N+](=O)[O-] 619875198 PVDJOFVOGNEHFU-CQSZACIVSA-N 394.384 -0.087 5 20 GBBD CO[C@@H](C)CS(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 764179213 GFOBCUDLOKWWEO-VIFPVBQESA-N 387.370 -0.199 5 20 GBBD O=C(Cc1noc(Cn2cnnn2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 771085128 ITOVIFQTYASDNA-UHFFFAOYSA-N 399.371 -0.096 5 20 GBBD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893088 MKEHMTKTZSUTJT-QWRGUYRKSA-N 396.381 -0.030 5 20 GBBD CCN(CC)S(=O)(=O)CC(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851328755 PJFJPSHOIBHMJX-UHFFFAOYSA-N 380.404 -0.534 5 20 GBBD CCCCNC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 913584042 CZVGZPBNKSVDHE-UHFFFAOYSA-N 379.417 -0.183 5 20 GBBD C[C@H](NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 1326620701 WLKBBYLMTALIEO-CMPLNLGQSA-N 384.414 -0.078 5 20 GBBD CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009005 XFBBMUSUOPRVFJ-QPPBUOOMSA-N 381.389 -0.462 5 20 GBBD COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794582 UJGMOYJXMABKBU-INIZCTEOSA-N 397.388 -0.576 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 264690981 HFAREICOLVADEX-CVEARBPZSA-N 392.412 -0.148 5 20 GBBD CN(CC(=O)NC[C@H](O)c1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 266526010 IMMYJXNVIBNQEC-AWEZNQCLSA-N 397.413 -0.201 5 20 GBBD O=C(CNC[C@@H]1CCCO1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 269275600 ZTYYVPFPXIJQRG-ZDUSSCGKSA-N 386.430 -0.242 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CN(C)C)CC1 298497786 YEUYLVNGRLOHCO-ZDUSSCGKSA-N 391.428 -0.055 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H]2[C@@H](CO)[C@@H]2C1 366260325 DHICLSGLVSMIPG-GDNZZTSVSA-N 384.414 -0.247 5 20 GBBD Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@H]2N)cn1 424511774 ULWSULGCNRANSA-JKSUJKDBSA-N 386.412 -0.060 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ccc3ncc([N+](=O)[O-])n3n1)C2 466434255 JLNDOJGBXZJUKX-UHFFFAOYSA-N 387.360 -0.896 5 20 GBBD COC(=O)c1cn(C2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)nn1 500914407 LGSKBYVOSSHTKZ-UHFFFAOYSA-N 382.358 -0.318 5 20 GBBD NS(=O)(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 534850710 BKEMLHJOXLNOQP-CYBMUJFWSA-N 384.414 -0.006 5 20 GBBD COCCN(C(=O)Cn1cc([N+](=O)[O-])cc(F)c1=O)[C@H]1CCS(=O)(=O)C1 566223052 WVEYHVIIQFWYBP-JTQLQIEISA-N 391.377 -0.442 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O 569260355 RJRMJYBASUZWDM-KGLIPLIRSA-N 375.385 -0.976 5 20 GBBD CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)C1 593309800 HOGRAMOXTAFCIW-UHFFFAOYSA-N 393.399 -0.537 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 603957431 DJLYIXANRWRRTE-UHFFFAOYSA-N 396.422 -0.153 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 619875630 STLDFQBABYECSI-LBPRGKRZSA-N 381.341 -0.179 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 748117272 HBYRNUQKFPHAFI-GHMZBOCLSA-N 386.386 -0.630 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 755271012 KIURIEDYOTYMRO-LBPRGKRZSA-N 383.386 -0.008 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 825393923 MVZFFLMQQRGLIW-CQSZACIVSA-N 386.430 -0.678 5 20 GBBD COC(=O)CNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 928988728 NIQJJJITBVROCR-VIFPVBQESA-N 397.315 -0.081 5 20 GBBD CN1CC[C@](O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1591181342 ZLSIRXVTRASJFL-ZDUSSCGKSA-N 383.390 -0.880 5 20 GBBD NC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277739 IRVKZLMOUQQLCB-JGPRNRPPSA-N 379.377 -0.902 5 20 GBBD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1843350580 GENWJJHPPXVYER-AWEZNQCLSA-N 379.392 -0.234 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O 265297036 WOLHUQMIVGMAOB-SECBINFHSA-N 379.416 -0.578 5 20 GBBD CN1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 266203791 IOKNOLYEJUBHMT-CQSZACIVSA-N 398.441 -0.242 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 280150736 SXMCAHGWROLOIW-OAHLLOKOSA-N 399.429 -0.232 5 20 GBBD CC(=O)N1CCN(C(=O)CN2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 298155272 RYJUUYHSHMGRPS-UHFFFAOYSA-N 376.417 -0.198 5 20 GBBD NC(=O)c1ccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 298751952 MNSMBHRGAKGPIV-UHFFFAOYSA-N 375.385 -0.384 5 20 GBBD CN(C)CC(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 299225108 BHEYQJJHXBXVSX-UHFFFAOYSA-N 377.401 -0.443 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424432427 ACJVILCOVDSQMH-GFCCVEGCSA-N 399.381 -0.194 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 517759759 VIYCBAQNHRUWHQ-RYUDHWBXSA-N 391.384 -0.298 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 521962022 HLPQVLRGGKRRPZ-GFCCVEGCSA-N 392.368 -0.167 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 598027664 LWDDXVRCZAMOBK-RYUDHWBXSA-N 392.411 -0.460 5 20 GBBD O=C(NCC(=O)N1CCn2nnc(CO)c2C1)Nc1cccc([N+](=O)[O-])c1 598903010 NUZHBMJGBAAPFV-UHFFFAOYSA-N 375.345 -0.158 5 20 GBBD NC(=O)CS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 766928621 IRTQZEISVSMAFD-ZETCQYMHSA-N 390.399 -0.808 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 780524037 ASZNCRYGVUTSQZ-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 821305529 GROUFRLGTJUPQO-UHFFFAOYSA-N 390.443 -0.063 5 20 GBBD CCS(=O)(=O)N1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1337924744 GYPQLMMTOJBQLE-UHFFFAOYSA-N 396.425 -0.069 5 20 GBBD O=C1CN(CC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)C(=O)N1 1841890543 UKQXJMPRCRJBMM-UHFFFAOYSA-N 391.340 -0.443 5 20 GBBD O=C(Cn1ccccc1=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389149 UISGHLGNTDAQGT-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)[C@@H](C)NC=O)C2)n1 1845178562 VUJUQLJTOJIMNN-LLVKDONJSA-N 391.384 -0.050 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847168139 JWXHORBCIGGVCN-DCAQKATOSA-N 379.373 -0.404 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 264656107 HRGKFZFTRBYALK-UHFFFAOYSA-N 385.402 -0.938 5 20 GBBD O=C(CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1)Nc1nncs1 265001826 FDNAGIXKIOWXPR-UHFFFAOYSA-N 380.390 -0.574 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 267855576 OAUDQHGTONIMDY-LLVKDONJSA-N 377.357 -0.431 5 20 GBBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1C 268586764 KTAMFTKWQQYCLW-LBPRGKRZSA-N 382.398 -0.457 5 20 GBBD C[C@@]1(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 280755958 LAEVMNCGUUCRES-CYBMUJFWSA-N 391.427 -0.434 5 20 GBBD C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 517435865 JGRIMXCXVIEMIY-NSHDSACASA-N 375.389 -0.028 5 20 GBBD CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 600579117 ZHZKPUNJGSCMNK-KLPPZKSPSA-N 384.414 -0.015 5 20 GBBD CNS(=O)(=O)CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 600665086 IAYDEPNRUFJGHU-UHFFFAOYSA-N 386.386 -0.624 5 20 GBBD NC(=O)C[C@@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 600681362 HFBJYOXPYRNEIX-SNVBAGLBSA-N 382.398 -0.111 5 20 GBBD COC(=O)[C@@H]1[C@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 816959514 JQEXPKTUUMZBDP-MSRIBSCDSA-N 383.382 -0.250 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 919507415 LJQDYVLFZRIMAG-UHFFFAOYSA-N 377.313 -0.060 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)N2CCOCC2)CC1 1319252257 GKUDPIBABGXYHW-UHFFFAOYSA-N 381.393 -0.429 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1328788380 XGDPSHXADMTXIY-CHWSQXEVSA-N 381.389 -0.437 5 20 GBBD C[C@H](N)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1335392658 ONYOUFNOLLVVAS-LBPRGKRZSA-N 377.401 -0.315 5 20 GBBD O=C(NCCNC1CC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1345191516 VWAFRSAQMOCJCZ-UHFFFAOYSA-N 395.441 -0.191 5 20 GBBD CN(CCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)Cn1cncn1 1604758602 GYHCQBPASQFUAN-UHFFFAOYSA-N 386.376 -0.039 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1609298081 HIXWHOUKFAJPBY-GFCCVEGCSA-N 375.345 -0.362 5 20 GBBD CNCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477048 DCQYOFBFHMGFLH-AVGNSLFASA-N 394.432 -0.089 5 20 GBBD CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2)C(=O)O 1796090654 UMCCKGOMUUSCOZ-LMLFDSFASA-N 394.388 -0.368 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401800 WNWRCKMDULNDAI-PTEHBNRSSA-N 389.372 -0.582 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 276081703 AXLZEYSSQVZLLN-CQSZACIVSA-N 390.400 -0.410 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)c(C)c1[N+](=O)[O-] 277298952 RPVJNHFEUQQFQA-SSDOTTSWSA-N 390.330 -0.273 5 20 GBBD O=C(NCCCN1CCNCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 419857085 UIYMSNFQZDIPQL-UHFFFAOYSA-N 375.429 -0.109 5 20 GBBD CN1CCO[C@@H](C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 421971397 ATBVZMCKDNCWBY-CQSZACIVSA-N 386.430 -0.338 5 20 GBBD Cn1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1C(N)=O 442605638 NGMWMNUGCHAUCX-UHFFFAOYSA-N 383.342 -0.001 5 20 GBBD Cn1cnc(CCNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 446016868 VUIXQEDAZDYDFX-UHFFFAOYSA-N 397.417 -0.457 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 565428748 VQCILKWTGLOWLD-UHFFFAOYSA-N 388.402 -0.166 5 20 GBBD CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 567421714 ABWAPPGBJPFEMJ-UHFFFAOYSA-N 378.389 -0.083 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 569961585 QNEHLDFETPHRFJ-OCCSQVGLSA-N 390.466 -0.597 5 20 GBBD COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c([N+](=O)[O-])c1 594827090 RMFHRTMHDFDKGU-KOLCDFICSA-N 380.400 -0.306 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1N[C@H]2CC[C@H]1C2 600379785 PTYMPJRTQWQCFI-MNXVOIDGSA-N 396.425 -0.013 5 20 GBBD C[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748134378 PHHMSNNPIWLWII-WECGXBHGSA-N 378.341 -0.115 5 20 GBBD Cc1c(Cl)cc(S(=O)(=O)NC(=O)Cn2ncn(C)c2=O)cc1[N+](=O)[O-] 765585496 ZHFFVBKGALEURN-UHFFFAOYSA-N 389.777 -0.043 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 821592608 MTBJKPRDJAFNNL-JTQLQIEISA-N 395.401 -0.486 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 1116919714 QHYIAVDGDMOQER-UHFFFAOYSA-N 388.377 -0.012 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1327438714 SJPPEKOMMCGYBN-CYBMUJFWSA-N 384.414 -0.249 5 20 GBBD CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419376 MAQNQHWVHUAIAG-INIZCTEOSA-N 379.373 -0.498 5 20 GBBD NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783151842 OVJYLQMLSOGNOD-INIZCTEOSA-N 379.373 -0.368 5 20 GBBD CCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])COC1 1798012290 NLDUQBRNRLTKKK-PTEHBNRSSA-N 393.400 -0.052 5 20 GBBD C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835528712 IAUNCPUQSGUMBT-SJCJKPOMSA-N 395.416 -0.412 5 20 GBBD N=C(N)NCC(=O)N1CCCC12CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1842884312 VHWHPFKLAUJQKH-UHFFFAOYSA-N 376.373 -0.400 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 288302169 DSJFIHFCBWOGEV-UHFFFAOYSA-N 390.400 -0.122 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 299214542 JGCDBQJXAGUWSA-LBPRGKRZSA-N 399.381 -0.498 5 20 GBBD CC(=O)NCCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 299275226 NIOAZQYMTSSWIT-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD COCCOc1ncccc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 492677486 SQLWTYVQRVEASD-UHFFFAOYSA-N 378.345 -0.034 5 20 GBBD COC[C@@H](CCO)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 525320517 HGBKGKCXUPXFJA-LLVKDONJSA-N 390.418 -0.430 5 20 GBBD CNS(=O)(=O)C1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 554156511 WTYUJKFHDGVHEF-UHFFFAOYSA-N 384.414 -0.135 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CC(=O)N(C)C1=O 573814585 JVJFWYPAEGXCJW-BDAKNGLRSA-N 398.397 -0.087 5 20 GBBD Cn1nnc2c1CC[C@@H](NC(=O)CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)C2 594136722 IVEKHRLTQDCAPE-SECBINFHSA-N 384.352 -0.007 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 598607640 BYGUGNZCDYTIIX-UHFFFAOYSA-N 392.459 -0.018 5 20 GBBD COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 600321513 SQDPKGCUYPXLNP-JQWIXIFHSA-N 381.341 -0.290 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(=O)N(C)C 726894301 XPQCOVBUYSPZFF-BMLIUANNSA-N 391.384 -0.045 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)c2ccc(F)cc2[N+](=O)[O-])c(=O)n(C)c1=O 758115476 TUHINHSBMTVBDY-UHFFFAOYSA-N 380.288 -0.247 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O 807000013 GVPSFPBLLDKRRL-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD O=C(CN1CC[C@H](CO)[C@@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 808749652 ADACFXHSDGJFRL-PBHICJAKSA-N 378.429 -0.082 5 20 GBBD Cn1nncc1NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 810352276 BYTZBKGDQBADDG-UHFFFAOYSA-N 393.385 -0.292 5 20 GBBD Nc1c([N+](=O)[O-])ccc(N2CCN(S(=O)(=O)C3CC3)CC2)c1-c1nn[nH]n1 1581908992 LHWCRZYFNLRLEM-UHFFFAOYSA-N 394.417 -0.029 5 20 GBBD C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OCCC[N+](=O)[O-] 1603676689 LQPCTEPMIYWGTR-VIFPVBQESA-N 384.374 -0.257 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783479335 FFULNYLQCOUBRM-BDJLRTHQSA-N 379.373 -0.060 5 20 GBBD CN1CC(C(=O)N2CC[C@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)C1 1784783065 CIVHJZBBBPZXMU-MRXNPFEDSA-N 378.389 -0.677 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C(=O)O)C[C@@H]1C(N)=O 275075436 HRGYGXPSMQCUKT-PSASIEDQSA-N 387.370 -0.057 5 20 GBBD CN(CCCO)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 281979016 PSWNDTPGAUTJAP-AAEUAGOBSA-N 387.414 -0.441 5 20 GBBD COC(=O)c1cn(CCNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)nn1 286612720 BHLWSPLZNITFDX-UHFFFAOYSA-N 390.312 -0.303 5 20 GBBD NC(=O)c1ccnc(NCCS(=O)(=O)NC[C@H]2CCCCO2)c1[N+](=O)[O-] 290697354 VJGSOHKJKPJZIF-SNVBAGLBSA-N 387.418 -0.011 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 294518402 UKICXZZPLHAPPF-UHFFFAOYSA-N 383.386 -0.185 5 20 GBBD CC[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC 458024484 XNGAEFKPCHJQQE-GFCCVEGCSA-N 387.418 -0.303 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 514059772 VXIQRNDLAWZESX-SNVBAGLBSA-N 385.354 -0.888 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 591566712 OVCUSKHVPNTNHO-AWEZNQCLSA-N 392.368 -0.445 5 20 GBBD CO[C@](C)(CO)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 594222241 IPFIMLSGGNWZKL-AWEZNQCLSA-N 390.418 -0.430 5 20 GBBD Cn1c(C(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2n(c1=O)CCCC2 851329451 LYSSMCCTQVFESV-UHFFFAOYSA-N 381.370 -0.055 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCNC1=O 1325478905 VEEODMICIXEBKJ-HNNXBMFYSA-N 389.412 -0.020 5 20 GBBD O=C(C(=O)N1CCC(O)(CO)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1330334139 HEYAXYIDXUYXNL-UHFFFAOYSA-N 392.412 -0.411 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1598501419 GNLVNZQEEXDFGJ-TZMCWYRMSA-N 379.369 -0.110 5 20 GBBD C[C@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794274009 DGWNPDMMARZLEK-FVCCEPFGSA-N 392.416 -0.059 5 20 GBBD C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 270785225 INCPHCCYZBPZBW-ZETCQYMHSA-N 378.305 -0.064 5 20 GBBD CN[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 423605158 GTUDCCCJVVMMNV-ZDUSSCGKSA-N 389.412 -0.301 5 20 GBBD CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1NCCn1cc([N+](=O)[O-])cn1 461962832 XRNTYSHIUDAMMC-UHFFFAOYSA-N 389.415 -0.046 5 20 GBBD CN1CC[C@](O)(CNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 545880754 VBIHNEPJEWJACA-KRWDZBQOSA-N 394.384 -0.123 5 20 GBBD Nc1nccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 548715112 UZKQHHKWUGTIPV-NSHDSACASA-N 378.389 -0.765 5 20 GBBD Cc1[nH]c(=NC[C@H](O)[C@@H]2CCCO2)[nH]c(=NC[C@H](O)[C@@H]2CCCO2)c1[N+](=O)[O-] 599131650 AAJXKIKIGUXSLY-XUXIUFHCSA-N 397.432 -0.559 5 20 GBBD C[S@](=O)CCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609742808 FKPQQNRWYKESBG-DEOSSOPVSA-N 392.459 -0.059 5 20 GBBD NS(=O)(=O)C1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 739194023 XCVDBKSDZWTGBC-UHFFFAOYSA-N 386.386 -0.334 5 20 GBBD CC1(C)NC(=O)N(CCCC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1=O 750758072 WTUZRVXGNSMRGO-UHFFFAOYSA-N 399.385 -0.095 5 20 GBBD O=C(NCCCn1cncn1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1119129057 MLQDIUHQBKWCPA-UHFFFAOYSA-N 388.388 -0.564 5 20 GBBD O=C(O)[C@H](CN1CCOCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 1325839277 PHJQPDBSQMQKOV-JTQLQIEISA-N 377.350 -0.202 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCO[C@@H]3COCC[C@@H]32)c1 1607079437 IKMJPLSGCLQZOY-NWDGAFQWSA-N 396.385 -0.047 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21)C(O)O 1783865664 WRLVRUKGTFYBIR-QEJZJMRPSA-N 393.396 -0.572 5 20 GBBD O=C(CN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844829809 HTWROEHGGOINOU-UHFFFAOYSA-N 387.352 -0.335 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 271087236 HEBPRVCCQCRLPR-UONOGXRCSA-N 384.414 -0.098 5 20 GBBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 275882860 GIKPEPLUWSEMMH-VIFPVBQESA-N 395.759 -0.644 5 20 GBBD COCCOCCN(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 291786909 AUEXWSSXFLQLRX-UHFFFAOYSA-N 375.403 -0.006 5 20 GBBD NC(=O)NC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 294434996 FYUXZFSZQCJSMR-NSHDSACASA-N 399.429 -0.078 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424367325 LJLPQKRZUNXHMU-NSHDSACASA-N 378.384 -0.224 5 20 GBBD CCn1cc(S(=O)(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)c([N+](=O)[O-])n1 447842736 CPBLZNCICJPCTB-NEPJUHHUSA-N 392.434 -0.154 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[S@](=O)C1 475133079 YDWSKLTZTLPRGU-JUZXBQNTSA-N 390.443 -0.307 5 20 GBBD COC[C@@H](C(N)=O)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 500233117 URRFGQUAPIRZCH-JTQLQIEISA-N 395.401 -0.158 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(S(=O)(=O)NC2CC2)ccc1O 538883581 BSJGMPTZRRFNQN-UHFFFAOYSA-N 382.358 -0.029 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 580142717 MOFSFVCOXJLYFY-UHFFFAOYSA-N 386.430 -0.333 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 599421661 HTMKDIFJESQZAO-UHFFFAOYSA-N 383.379 -0.335 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1-c1nn[nH]n1 826500318 TYDMAKVYNILCCP-UHFFFAOYSA-N 388.387 -0.806 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] 264731275 FEOZIFWOIPMQCJ-CYBMUJFWSA-N 379.417 -0.305 5 20 GBBD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCCn1cc([N+](=O)[O-])cn1 269103443 ACQLWEPRUKAKHH-OAHLLOKOSA-N 394.432 -0.379 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 363867569 LOQUNCIZCYENPD-LLVKDONJSA-N 378.389 -0.765 5 20 GBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 372800898 IOUFTEUNPIIBTO-GFCCVEGCSA-N 389.434 -0.310 5 20 GBBD Cn1ccc(NC(=O)CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 429324885 BWLCHMQROBDVDU-UHFFFAOYSA-N 397.369 0.017 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 477123373 WXGOYGWHPPJFIF-SNVBAGLBSA-N 378.432 -0.288 5 20 GBBD C[C@@](O)(CO)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 480820014 BEOZQJCTBPUAKL-AWEZNQCLSA-N 375.403 -0.229 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 501500508 AHSWCBICCICDPN-UHFFFAOYSA-N 375.407 -0.548 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C)cc1[N+](=O)[O-] 572177928 GNGKCIBXINEDLJ-LLVKDONJSA-N 395.416 -0.484 5 20 GBBD CCc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 574077202 SLYUYJRMVCLBEP-UHFFFAOYSA-N 378.432 -0.333 5 20 GBBD Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1[N+](=O)[O-] 591011303 ITWUUSPINGPNBP-UHFFFAOYSA-N 399.429 -0.208 5 20 GBBD NC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 609155872 SXBNPIGCDHXGAA-UHFFFAOYSA-N 382.398 -0.307 5 20 GBBD O=C1CN=C(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)N1 609577513 NXLUGBUNMUMSLG-LLVKDONJSA-N 381.370 -0.650 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCc1nnnn1C 611312942 NYJIAPWFCIEAFR-VIFPVBQESA-N 397.417 -0.078 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 617884072 JDDSHQRGFUHPIU-UHFFFAOYSA-N 396.385 -0.987 5 20 GBBD CNS(=O)(=O)CCCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 777050243 GBXFTQSULOXVRQ-UHFFFAOYSA-N 385.354 -0.327 5 20 GBBD COC(=O)C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 778305590 PDMKNYHJJSFCQD-VIFPVBQESA-N 388.354 -0.063 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(CCC(=O)O)C[C@H]2C)c([N+](=O)[O-])n1 833681969 MXWKHVYAKBXMDN-SNVBAGLBSA-N 375.407 -0.019 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1324274090 GZDUFSAYOBQOSG-UHFFFAOYSA-N 382.398 -0.555 5 20 GBBD O=C(C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCC1 1324748249 HZERLLYZULGDQE-UHFFFAOYSA-N 382.398 -0.340 5 20 GBBD CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1591001586 JYWLYRIJDAURPE-SECBINFHSA-N 395.401 -0.126 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(CC(=O)O)cc1[N+](=O)[O-] 1606080724 NEDGRIUSGGRECV-LLVKDONJSA-N 385.398 -0.039 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 1606623274 DWLNPNBMKAKVNW-UHFFFAOYSA-N 398.387 -0.289 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)N1 1780415973 RRFQKYNYOHASTF-YVEFUNNKSA-N 391.384 -0.355 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2 1793999769 LYSOLISCUITQCN-JJLQDPRZSA-N 391.384 -0.640 5 20 GBBD CC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847498115 MMJGUBOOULYVLD-SGMGOOAPSA-N 378.385 -0.271 5 20 GBBD NC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 14845685 PVZXWEWYAAAFFA-UHFFFAOYSA-N 385.402 -0.514 5 20 GBBD O=C(C[C@H]1COCCN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262269564 VMDDCLGCLWMLNE-ZDUSSCGKSA-N 398.441 -0.194 5 20 GBBD CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 265485569 IZHWGTMBGWTKJQ-UHFFFAOYSA-N 378.432 -0.245 5 20 GBBD CO[C@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 272816898 MOFHHYBQJUOAFI-DYEKYZERSA-N 399.425 -0.034 5 20 GBBD Cn1nccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 274238007 ZMMUTOSISDZPIR-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD NC(=O)C1=NO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 276253318 MJNJZHVLEVBPNE-JTQLQIEISA-N 377.357 -0.209 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 297998294 YPTUDVNELHDWJF-GOSISDBHSA-N 389.412 -0.033 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 298705062 IIVBXWRWGOZSLP-UHFFFAOYSA-N 376.373 -0.640 5 20 GBBD O=C(C(=O)N1CC[C@@H](N2CCNCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 423302405 HKAJTBBLTLUHCD-QGZVFWFLSA-N 387.440 -0.014 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] 425074689 ZPVHLXGXVQVGRI-JTQLQIEISA-N 378.341 -0.403 5 20 GBBD CNC(=O)NCCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 431666993 WUNODOOFVDBSSI-UHFFFAOYSA-N 387.418 -0.155 5 20 GBBD COC[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 449005614 WGZCTVRZEWBNGG-NSHDSACASA-N 375.359 -0.521 5 20 GBBD CN(C(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O)c1ccc([N+](=O)[O-])cc1 482068934 MRTQSCIHOFRKKG-GFCCVEGCSA-N 390.356 -0.415 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCOC[C@H]2OCCOC)c([N+](=O)[O-])n1 485935383 VCDWJJVYJOIQAK-WDEREUQCSA-N 378.407 -0.090 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(OCC(=O)N(C)C)C1 536993462 VTXJRARUDKSWGS-UHFFFAOYSA-N 380.357 -0.143 5 20 GBBD CO[C@@](C)(CO)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 594381308 GYBNFQKHQCFTMT-CQSZACIVSA-N 375.403 -0.223 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 599488994 LNMDXHMTWMXPRT-UHFFFAOYSA-N 378.432 -0.151 5 20 GBBD O=C(NCCNC(=O)C1CC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1345494186 DAUANSNHFJZROK-UHFFFAOYSA-N 389.412 -0.114 5 20 GBBD CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)O 1610108378 FPMGXPQOHKLCIL-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)c1cccc(F)c1[N+](=O)[O-] 1790133404 KBSYNVFPEBRPHZ-GAFUQQFSSA-N 397.359 -0.362 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 1800242979 BGQSLVPUSCKVFR-CLLJXQQHSA-N 388.388 -0.279 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 24698673 MZZJABSAOFGWTG-UHFFFAOYSA-N 397.457 -0.155 5 20 GBBD COc1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1[N+](=O)[O-] 263713148 VMLLSMVWBAITOM-UHFFFAOYSA-N 375.345 -0.426 5 20 GBBD CN1CC[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 265726729 PAGZKTFLZJLYLT-LLVKDONJSA-N 385.402 -0.609 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 269850863 FUSCUSKYDIWURC-SECBINFHSA-N 378.432 -0.064 5 20 GBBD O=C(C1=NN(CCO)C(=O)CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 296878896 HPKLLCDOAUHJMQ-UHFFFAOYSA-N 376.373 -0.391 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)CO 297604935 AXENVRWRXHKJDQ-KBPBESRZSA-N 394.428 -0.166 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)n1 427465201 MBKTXPQRJZKCDO-CYBMUJFWSA-N 394.432 -0.184 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1(CO)COC1 437983913 ZASKTIIOUQZYNR-UHFFFAOYSA-N 388.402 -0.819 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 443353187 QPJXQDYCEUAAEE-CYBMUJFWSA-N 389.430 -0.083 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@](C)(O)CN1CCOCC1 467488919 YIGAEXIPPOVLAR-UGSOOPFHSA-N 394.428 -0.088 5 20 GBBD CN(C)C(=O)COC1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 482253071 ORGNGDLUCFFRCI-UHFFFAOYSA-N 393.400 -0.290 5 20 GBBD C[C@@H]1CO[C@H](CO)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 511332672 ILYDLDZZQJHFIK-YPMHNXCESA-N 387.414 -0.129 5 20 GBBD O=C(NCCn1ncnn1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 539209140 XBMVZEVCGMPDQS-UHFFFAOYSA-N 377.317 -0.503 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c([N+](=O)[O-])n1 549909036 CHTQBIGQSLWPTA-JTQLQIEISA-N 383.390 -0.372 5 20 GBBD CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 570757479 FXNYERNQRDBJIJ-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD Nc1ncc2c(n1)CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2 598951548 AYGVWWNWOANIBO-UHFFFAOYSA-N 392.397 -0.170 5 20 GBBD COC(=O)c1cn(CCOC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)nn1 774598399 DELVAACJGIFDSK-UHFFFAOYSA-N 377.313 -0.054 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 846083465 CTHWKEGHINBZFP-UHFFFAOYSA-N 386.386 -0.606 5 20 GBBD CNc1nccc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)c1[N+](=O)[O-] 848791430 NFNPZYZESOHJHL-UHFFFAOYSA-N 384.374 -0.100 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1606649142 SJVODWQFIXQMTG-UHFFFAOYSA-N 386.372 -0.298 5 20 GBBD O=C(CCn1cncn1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000817 RNFYIJXLNLIYJK-UHFFFAOYSA-N 388.388 -0.324 5 20 GBBD CN1CC(C(=O)N2CCCC23CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)C1 1846716396 TWLXOIYLNGNCOM-UHFFFAOYSA-N 389.412 -0.479 5 20 GBBD O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 349362440 IXMXFKMMEZCDLL-STQMWFEESA-N 398.397 -0.339 5 20 GBBD COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 365892492 DPWVLZZDENAKGD-BXKDBHETSA-N 391.336 -0.020 5 20 GBBD CNCCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419847261 QZYNFWJTBIIZCQ-UHFFFAOYSA-N 377.401 -0.395 5 20 GBBD O=C(CN(CCO)CCN1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 444401267 WTCBLVXTQAQVSR-UHFFFAOYSA-N 396.400 -0.112 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 445191479 LTAZMAOIIKMHCN-GFCCVEGCSA-N 393.400 -0.300 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCS1(=O)=O 461975315 XAYYLJDYVUYJIE-NSHDSACASA-N 388.450 -0.021 5 20 GBBD COC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 473280978 YKJNKAVAHGAGJD-UHFFFAOYSA-N 385.398 -0.071 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 543845002 AWJPPJNJUIIXFB-CYBMUJFWSA-N 379.373 -0.633 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] 594849070 KEALGUPBHGTCHQ-UHFFFAOYSA-N 387.370 -0.306 5 20 GBBD Cn1c(COC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc(=O)n(C)c1=O 731527780 XHSZGFTZMZAEEP-UHFFFAOYSA-N 386.324 -0.070 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 846915114 IGBAZQKWADYCRY-UHFFFAOYSA-N 378.432 -0.500 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCO1 862632825 FBDFWFVPMDOCPT-GFCCVEGCSA-N 380.357 -0.058 5 20 GBBD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)cc1[N+](=O)[O-] 1795527197 DIGFOCBBVQJDAC-ZSBFGKGUSA-N 376.413 -0.006 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cn[nH]c1 1796572904 FXMLYMWQOSGLPG-JGPRNRPPSA-N 375.345 -0.442 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)CN2C(=O)c3ccccc3C2=O)c1=O 25246944 JRSFVRRMOFYSLR-JTQLQIEISA-N 386.320 -0.488 5 20 GBBD NC(=O)c1ccc(CN2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 36647791 KLOJYTQRRFFVEK-UHFFFAOYSA-N 391.428 -0.330 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCCC1 66358420 KTBAMAMOXVSKPY-UHFFFAOYSA-N 399.429 -0.205 5 20 GBBD CNC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 68382374 AIEZCGDGLJHYDI-UHFFFAOYSA-N 396.425 -0.046 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N(CCO)CCO 266154983 UVEKCRMLAHCXMO-UHFFFAOYSA-N 375.403 -0.593 5 20 GBBD NC(=O)NC(=O)CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 267864978 UENMYVSUXNQKCI-UHFFFAOYSA-N 379.329 -0.016 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1[N+](=O)[O-] 369768516 XHTLWUJYWDTSTD-NSHDSACASA-N 378.341 -0.004 5 20 GBBD NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420042550 NMERRRRNQYEHAI-FZMZJTMJSA-N 398.441 -0.272 5 20 GBBD O=C(C(=O)N1CC[C@H]2CNC[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423588298 GNRFYDOCZWQZDB-UONOGXRCSA-N 388.428 -0.294 5 20 GBBD COC(=O)[C@]1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOC1 446718205 AEJFBAJRLZYVDL-INIZCTEOSA-N 380.357 -0.158 5 20 GBBD CN(CC(=O)N[C@@H](CO)[C@@H]1CCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 468661122 OQAIBFDYJKSXSK-KBPBESRZSA-N 387.414 -0.129 5 20 GBBD CC(C)(C(=O)NCCNS(=O)(=O)Cc1ccon1)n1cc([N+](=O)[O-])cn1 531173448 IUJCYYMLVAGZIY-UHFFFAOYSA-N 386.390 -0.250 5 20 GBBD COC(=O)C1(O)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 535821450 GYJIWINTDZBIPR-UHFFFAOYSA-N 393.352 -0.153 5 20 GBBD CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 554876833 UHXBFKRDLGJWJF-UHFFFAOYSA-N 375.407 -0.170 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 599488820 GAPZRLGCDGXDPQ-UHFFFAOYSA-N 378.432 -0.151 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 823651788 QKBLJKUNRFOYSX-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)N[C@@H]1CCS(=O)(=O)C1 916453830 BIAVGKNCJLCDRH-LLVKDONJSA-N 399.381 -0.307 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1328427986 XDJOMWYLDLUBNG-HIFRSBDPSA-N 391.380 -0.138 5 20 GBBD C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791048033 ZQVCFVVWGXSOKF-IMIFBBOLSA-N 381.389 -0.848 5 20 GBBD COC(=O)[C@H](CF)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 292586584 MFOLBFNLCMZHCG-JTQLQIEISA-N 392.365 -0.329 5 20 GBBD CO[C@@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])C[C@H]1O 450824708 WTYXQFNWXYKELG-HUUCEWRRSA-N 388.446 -0.369 5 20 GBBD CNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 531453727 NVHGFDOBHGNPNE-MFKMUULPSA-N 384.414 -0.001 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c([N+](=O)[O-])n1 532855812 ZJCDTDHQMGTWPS-SNVBAGLBSA-N 397.417 -0.063 5 20 GBBD O=C(NCCn1ncnn1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 533226851 YZNQPNFRSJABFS-CYBMUJFWSA-N 395.401 -0.449 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O 551042617 PCYOZBQRMUYYRE-RRFJBIMHSA-N 399.448 -0.529 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCO[C@H]1C(=O)O 595244847 NLHAKSKBOIFLHM-WCQYABFASA-N 387.370 -0.379 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CCO[C@@H]2CN)c([N+](=O)[O-])c1 595923140 QSUXVGPFKBKOEV-BXUZGUMPSA-N 386.430 -0.110 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598597122 VWVZHRQBKVNEMO-LLVKDONJSA-N 386.434 -0.261 5 20 GBBD COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 600023113 IBNZCCXOLNMPPL-GXSJLCMTSA-N 385.402 -0.239 5 20 GBBD O=C(NCc1nn[nH]n1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 609577552 SOBUXRXZBSQBCD-NSHDSACASA-N 381.374 -0.423 5 20 GBBD NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 610886911 CWGPXLDOILUHAX-CQSZACIVSA-N 388.384 -0.490 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)O 619471530 DTEYWEVICRTGOS-XQHREBAHSA-N 378.384 -0.190 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 737766098 SIVVGCVFTFOIPL-MRVPVSSYSA-N 383.394 -0.821 5 20 GBBD CN(C)C(=O)c1ccc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 780631480 TTYPKELDZDBNBB-UHFFFAOYSA-N 381.370 -0.002 5 20 GBBD C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCS(=O)(=O)C1 783379792 UNGQMVOHFWQQQN-UWVGGRQHSA-N 388.402 -0.239 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 783785078 HYYKIHVCSRCIBZ-BONVTDFDSA-N 384.414 -0.115 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nnc3n2CCC3)c1-c1nn[nH]n1 826500429 YGRKMKUNUBZLFO-UHFFFAOYSA-N 391.373 -0.209 5 20 GBBD CNC(=O)NC[C@@H]1CN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CCO1 863288188 QGMQYNMBZSUDLG-LLVKDONJSA-N 392.372 -0.001 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cnc[nH]1 1794713638 WHGBTUFPQZZRSP-BZBKMWRSSA-N 375.345 -0.442 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCNC1=O 8632826 VPGUHHYOSDGTSS-UHFFFAOYSA-N 376.281 -0.714 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8633123 ATICWFASROYKCR-SSDOTTSWSA-N 378.297 -0.422 5 20 GBBD CN(C)CC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 283030665 ZNWBAYIUPUFHOW-UHFFFAOYSA-N 398.441 -0.156 5 20 GBBD CNCCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 423716508 XIGYMIJNGGNQTC-UHFFFAOYSA-N 391.428 -0.053 5 20 GBBD CN(C)C(=O)COC1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 513834880 BWZMDFRBLVHQPO-UHFFFAOYSA-N 385.398 -0.073 5 20 GBBD NC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 552832037 MTTSTMPWBJPZOS-NWDGAFQWSA-N 396.425 -0.061 5 20 GBBD CN1C(=O)C[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 568762719 HLHHOQYTCYEDQL-LLVKDONJSA-N 384.370 -0.863 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCCn2cc(CO)nn2)cc1[N+](=O)[O-] 569162997 VYRKEMDJUVBWFU-UHFFFAOYSA-N 392.372 -0.377 5 20 GBBD O=C(C(=O)N1C[C@H]2CCNC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 574868566 BTJOHTYHWWVJAX-KGLIPLIRSA-N 388.428 -0.294 5 20 GBBD CS(=O)(=O)NC1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598585522 FVOJGNKZISCVFZ-UHFFFAOYSA-N 386.434 -0.261 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603554859 NNIRCTYJAFCELC-UHFFFAOYSA-N 378.432 -0.293 5 20 GBBD O=C(COC(=O)c1ccccc1[N+](=O)[O-])NC(=O)N[C@@H]1CCS(=O)(=O)C1 916467695 UPDRPXDPYMJBMJ-SECBINFHSA-N 385.354 -0.236 5 20 GBBD C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1603830249 HFIBSXLOKZLMQA-QMMMGPOBSA-N 381.374 -0.374 5 20 GBBD CN(C)C(=O)CCN1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 1609263403 KBMNBQVKAHKAGQ-UHFFFAOYSA-N 389.420 -0.043 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778131718 ZQESKFTYMYHTBS-USBNGQNGSA-N 379.373 -0.468 5 20 GBBD COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1795201863 AEJXJPMSEGOOAM-QHBPRCKVSA-N 394.384 -0.152 5 20 GBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)=NN1 1797684890 URHUXOASFAMZBU-ICCCGROCSA-N 390.356 -0.998 5 20 GBBD C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835518934 OSGCZRULNJNVGA-YVEFUNNKSA-N 396.400 -0.147 5 20 GBBD CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844266624 KUYNDYIVEWUGIV-UHFFFAOYSA-N 395.445 -0.381 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 45813513 MGXMAMYLBKPMQE-JTQLQIEISA-N 391.427 -0.481 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)O)CC2)c([N+](=O)[O-])c1 270769722 GQAPVOZDNPYLMX-LLVKDONJSA-N 394.384 -0.473 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H](O)C1CCOCC1 280660597 APBXEGRDQJHYNY-ZDUSSCGKSA-N 387.414 -0.223 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 282394973 BMSIAGIXJXKFKP-UHFFFAOYSA-N 382.398 -0.145 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)OC 298067595 LVZMRFPZPNQIEV-VIFPVBQESA-N 376.343 -0.014 5 20 GBBD O=C1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCN1 299091571 NMZQCELWCJJPML-GFCCVEGCSA-N 396.425 -0.046 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 369870842 GZEQTEXVEOIJFN-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCn2nncc2C1 582189053 DRNWJDMETHEBRE-UHFFFAOYSA-N 395.401 -0.310 5 20 GBBD NS(=O)(=O)[C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598897605 HQXVTYLDDYUHTG-GFCCVEGCSA-N 385.402 -0.004 5 20 GBBD COC(=O)[C@](C)(NC(=O)Cn1ccc(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1 600525156 AEGNTCIKVPKKGL-QGZVFWFLSA-N 390.352 -0.340 5 20 GBBD Nc1nsc(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)n1 822912234 RZEIIOBRWBRNRM-UHFFFAOYSA-N 375.378 -0.070 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CN(C(=O)O)C1 831693826 PJLXEQVDDPZVPU-UHFFFAOYSA-N 387.374 -0.466 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1340874997 KEQRPJGVMYSMCU-INIZCTEOSA-N 394.428 -0.595 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C1=COCC1 1801546051 HJMAPYLWPSSECJ-PTEHBNRSSA-N 377.357 -0.175 5 20 GBBD COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 17440587 FNRXEACHHSWAHK-UHFFFAOYSA-N 388.402 -0.017 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCCNC1=O 66965523 KPPFGQRALLXKMA-ZDUSSCGKSA-N 399.429 -0.159 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 273506388 SZMSBNWYRSRNKM-SECBINFHSA-N 378.432 -0.064 5 20 GBBD C[C@@H](CN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280837407 UNCMWYHZEMASMF-ZDUSSCGKSA-N 399.473 -0.375 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 468641822 MUJNBIMMECGOEG-NSHDSACASA-N 379.325 -0.592 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1C(=O)NC2(CCCC2)C1=O 479453914 KMRRDYDYXAOJPL-UHFFFAOYSA-N 377.357 -0.263 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] 493888914 QNTNAKPUAUZXPN-SSDOTTSWSA-N 383.379 -0.206 5 20 GBBD COC[C@@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 525776634 NZOVAJNUVMOEEI-AWEZNQCLSA-N 375.403 -0.271 5 20 GBBD COC[C@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 609565699 SHMMETGQDUDXIX-CQSZACIVSA-N 390.418 -0.430 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 737766614 SKCMUYTXAFAZBL-VIFPVBQESA-N 382.406 -0.216 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 822894798 GKSWQMMBXXYSGW-QMMMGPOBSA-N 383.394 -0.821 5 20 GBBD COC(=O)N(C)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 850612304 SWYWUSLRFHXMAE-UHFFFAOYSA-N 394.388 -0.547 5 20 GBBD CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1321877507 KTZUIICJSWJUQC-CYBMUJFWSA-N 396.425 -0.023 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 1332390112 DZHHWHREGANFOP-UONOGXRCSA-N 393.396 -0.022 5 20 GBBD CCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786500750 ADMONOYEVIYZAV-QEJZJMRPSA-N 395.416 -0.193 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1837797594 WWGYNWCYIQFRMN-USBNGQNGSA-N 397.363 -0.254 5 20 GBBD CS(=O)(=O)CCCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 264713604 HWVMDHOTZCMUBA-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 277592393 NQCIOTAQLUHACB-UONOGXRCSA-N 399.425 -0.169 5 20 GBBD CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 277595054 PMSLMJULRBEWNX-UHFFFAOYSA-N 397.417 -0.262 5 20 GBBD CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 288847371 PXXANISOERIEQQ-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 298870871 VWPLSLDCOHWXNK-UHFFFAOYSA-N 382.398 -0.294 5 20 GBBD CNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 299200347 BWHSZBLYCLATCA-UHFFFAOYSA-N 393.400 -0.777 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] 416429598 WGAWKANUMIBMQM-PELKAZGASA-N 387.370 -0.307 5 20 GBBD CCc1[nH]nc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[N+](=O)[O-] 444158887 UZHTZZZVLFSEGN-QWRGUYRKSA-N 387.418 -0.892 5 20 GBBD CN1C(=O)COc2ccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)cc21 492242783 UWYVKPVKHHHLPT-UHFFFAOYSA-N 388.340 -0.099 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ncc[nH]2)CC1 580343903 BRHINCRWLFCFGY-UHFFFAOYSA-N 394.413 -0.055 5 20 GBBD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593592362 YOMHSRUKBVVRCA-KOLCDFICSA-N 378.432 -0.014 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCCO1 600055873 RCXMHZVFAMSEJZ-UHFFFAOYSA-N 386.386 -0.457 5 20 GBBD O=C(O)CCCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 739694950 KDQFHBJPABWJIQ-UHFFFAOYSA-N 395.415 -0.343 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)CCO1 782090685 ZZBGPTSYPJVIJX-CQSZACIVSA-N 381.341 -0.232 5 20 GBBD O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 804586157 RVPNVBPJPWMSOW-CHWSQXEVSA-N 386.386 -0.217 5 20 GBBD C[C@]1([C@@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)NC(=O)NC1=O 820612818 KECWECCOVLVDAB-ANRSDYALSA-N 387.360 -0.016 5 20 GBBD COC(=O)[C@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOC1 826124829 WTRRFMOHODALMV-ZDUSSCGKSA-N 398.357 -0.615 5 20 GBBD COCCN(CC(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826157790 MAIMEXKEWMMRAS-UHFFFAOYSA-N 386.346 -0.503 5 20 GBBD C[C@@H]1NC(=O)N(CCOC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1=O 837371050 ZVGKKBCUUGKICG-QMMMGPOBSA-N 390.308 -0.326 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCCc2cn(C)nn2)cc1[N+](=O)[O-] 859443552 KZRFSBFOXVBLNO-UHFFFAOYSA-N 398.401 -0.171 5 20 GBBD COc1ccc(NC(=O)COC(=O)CNC(=O)CNC(C)=O)c([N+](=O)[O-])c1 918759843 ABXWUMCLWYMNIH-UHFFFAOYSA-N 382.329 -0.663 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 1117118797 SFTLGDIXMGEICQ-HNNXBMFYSA-N 378.385 -0.383 5 20 GBBD COCCN1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1=O 1348238854 IOTOQAUOXZLNAS-UHFFFAOYSA-N 390.396 -0.203 5 20 GBBD O=C(c1cc(O)no1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380813 MZSAJKKJWXKEKX-OAHLLOKOSA-N 392.328 -0.231 5 20 GBBD CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998854 YYFIZZIZZIHKED-UHFFFAOYSA-N 399.429 -0.571 5 20 GBBD CCC(=O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845973281 QGKOAGHPXMGAFH-UHFFFAOYSA-N 376.369 -0.061 5 20 GBBD COC(=O)CNC(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 21142496 SHLSOCRVVAOVOH-UHFFFAOYSA-N 387.732 -0.190 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)C1 32438275 NVDVTZBEAYMSQH-SNVBAGLBSA-N 391.427 -0.434 5 20 GBBD C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 265885499 DCVPDLPUKGZFOX-LLVKDONJSA-N 384.414 -0.183 5 20 GBBD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 269185667 LAXYFBHINUZEJQ-SNVBAGLBSA-N 399.433 -0.375 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(Cl)c1 271002261 GIJFCCDLWRSXSQ-NWDGAFQWSA-N 376.822 -0.077 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 272879736 GPJVKVPRHHIFHS-CYBMUJFWSA-N 397.457 -0.015 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 273143612 VAYIHIVKKQMEFG-LLVKDONJSA-N 376.325 -0.836 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 276370181 QUKSJUGLGZTTST-UHFFFAOYSA-N 398.441 -0.238 5 20 GBBD COCC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 281294189 SXJUSPSAYJNUDD-LLVKDONJSA-N 390.418 -0.430 5 20 GBBD CNC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 292256602 FBVZFKSASRMBDY-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC(n2cc(C(N)=O)nn2)C1 378545128 DJSGEUKMKZEIOA-UHFFFAOYSA-N 384.349 -0.022 5 20 GBBD O=C(NC[C@@H]1CNCCCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 420216502 LZUBRULDEXWJFT-AWEZNQCLSA-N 391.428 -0.262 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1N 423754370 ZMYRIFPEPRVJQX-JSGCOSHPSA-N 389.412 -0.315 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](N(C)CC(=O)O)[C@H](O)C1 435698561 RTGSIYZKFAOIMB-DDTOSNHZSA-N 394.384 -0.699 5 20 GBBD COC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 513821978 UIIUCPRULNAFGE-UHFFFAOYSA-N 385.398 -0.071 5 20 GBBD CCCc1[nH]nc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 521037259 IZQRVZWGBCOKSW-SECBINFHSA-N 387.418 -0.354 5 20 GBBD CCn1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)s2)c([N+](=O)[O-])n1 533633524 XUNKYQIVFVROPT-UHFFFAOYSA-N 395.444 -0.001 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCNC(=O)c2cnccn2)ccc1[N+](=O)[O-] 543912430 QZUHRLCDXOKBPT-UHFFFAOYSA-N 386.368 -0.031 5 20 GBBD Cc1cc(C(=O)NCC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 563310838 NANFTHONENMXHS-GFCCVEGCSA-N 384.414 -0.217 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 599260380 ZSVWFPWCEXNIIU-FSZOTQKASA-N 395.397 -0.586 5 20 GBBD NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 600241650 MSIVCINGPHWBGY-PWSUYJOCSA-N 378.341 -0.270 5 20 GBBD CC1(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])COC1 611641466 DULVBKZXRHPQRE-AAEUAGOBSA-N 399.425 -0.129 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(CO)C1 619817000 GYVCFYQUHFJPHD-AWEZNQCLSA-N 390.393 -0.011 5 20 GBBD C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 788621620 RYSBFHGJUBHUIF-MFKMUULPSA-N 398.397 -0.075 5 20 GBBD CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 1326624784 VROUPKLJYALKAR-ZDUSSCGKSA-N 393.448 -0.808 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1834912701 MBQDEIPJMANIPO-CQSZACIVSA-N 389.315 -0.347 5 20 GBBD CS(=O)(=O)N1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 50784408 ZGHFMFSFYNNOJV-ZDUSSCGKSA-N 382.398 -0.196 5 20 GBBD CNC(=O)CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 146931765 JBAIWNRXBFIFAZ-UHFFFAOYSA-N 398.441 -0.062 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(NC(CO)CO)c([N+](=O)[O-])c1 266131328 OPMDAVALAYNEJC-UHFFFAOYSA-N 376.435 -0.410 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 267260419 WMCYSXIJANCTAH-CABCVRRESA-N 399.425 -0.724 5 20 GBBD O=C(CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1CC1 272396708 XNMGZFHJBZOFEL-UHFFFAOYSA-N 399.429 -0.302 5 20 GBBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])[nH]n2)CCN1C(=O)c1cc([N+](=O)[O-])[nH]n1 286251513 ZOAQITFMCFRJMU-SSDOTTSWSA-N 378.305 -0.064 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NOCC(N)=O)cc1[N+](=O)[O-] 290354280 LPSJPIANZYRTSH-UHFFFAOYSA-N 389.390 -0.774 5 20 GBBD C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 298698958 NLAZDLHYSNZLTG-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C[C@@H]21 411034820 YBBKRUCHWARIMK-HIFRSBDPSA-N 388.428 -0.199 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCOC3(CNC3)C2)c(C)c([N+](=O)[O-])c1 415876205 CEYXNJCSXLVCAP-UHFFFAOYSA-N 392.368 -0.171 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@@H]2C1 431592204 LZZCSDMSHDWHBC-GFCCVEGCSA-N 397.413 -0.501 5 20 GBBD CCn1cc(S(=O)(=O)NCC2CN(S(=O)(=O)CC)C2)c([N+](=O)[O-])n1 438904437 UKMHNWJTTWSNOL-UHFFFAOYSA-N 381.436 -0.629 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 468724102 LULDAPXPCWUALP-LBPRGKRZSA-N 378.389 -0.076 5 20 GBBD O=C(CO)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 481825466 NQVVNQPBOJQNGS-UHFFFAOYSA-N 378.385 -0.292 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 505939037 STOATMGKLANYBW-CYBMUJFWSA-N 396.448 -0.215 5 20 GBBD NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 507920472 BSWDCVIBMSKOFA-UHFFFAOYSA-N 378.366 -0.007 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCn1cc(CO)nn1 564541121 DEKNHZUGYCHFAD-UHFFFAOYSA-N 390.356 -0.390 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 592908666 PJVHCRBCHPFFIG-VHSXEESVSA-N 391.336 -0.427 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] 597625581 DGGXGKSROQMYDO-NSHDSACASA-N 381.341 -0.179 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1cc(O)ccc1[N+](=O)[O-] 598640665 XTLIWVVOKUQHSR-GWCFXTLKSA-N 378.341 -0.032 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CC[C@H](O)C1 600806713 DZNRECLIUQJABX-ZDUSSCGKSA-N 386.430 -0.554 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ncnn1C 1325812307 POWHHLVUAAJIIK-NSHDSACASA-N 388.388 -0.356 5 20 GBBD CN(CCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)Cn1cnnn1 1591095081 XGHNQZOMAAQYGS-UHFFFAOYSA-N 387.364 -0.644 5 20 GBBD C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)CCCN1 1781142303 HBXFKSYMRRSBGD-SJORKVTESA-N 392.416 -0.097 5 20 GBBD CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786344096 OSOBLSOBRAHSFZ-UBHSHLNASA-N 379.373 -0.640 5 20 GBBD CO[C@H](CN)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 289547340 KCGGTLOZIHMCTI-CQSZACIVSA-N 386.430 -0.379 5 20 GBBD CN1CCNC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 420279848 TZYIFPCTCNBIEM-AWEZNQCLSA-N 399.473 -0.069 5 20 GBBD O=C(NCC(=O)N1CCN2C(=O)NC[C@H]2C1)NCc1ccc([N+](=O)[O-])cc1 431602523 GUQWGKBKRKBJLA-ZDUSSCGKSA-N 376.373 -0.370 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)C2 467064072 LGDRCVVJQOLUMF-UHFFFAOYSA-N 377.361 -0.964 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 468649705 QKSASHZMZFTIME-JOYOIKCWSA-N 378.341 -0.787 5 20 GBBD CS(=O)(=O)N1CC(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 494321353 ZFTDVLIXABJTOB-UHFFFAOYSA-N 377.444 -0.052 5 20 GBBD COCCN1CC[C@@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 557755246 DFVKMRVJBKJQQH-CYBMUJFWSA-N 394.432 -0.208 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)C[C@H](O)CO 580368366 KNKBGKVDLIIMMJ-VHSXEESVSA-N 375.403 -0.149 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 592917110 QCJRRVWIHQYOAA-JQWIXIFHSA-N 393.352 -0.297 5 20 GBBD COc1c(F)cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] 594822122 KUWFVRBCROOPAH-MWLCHTKSSA-N 398.390 -0.167 5 20 GBBD NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826389702 GCPZIJUICWTTPE-VIFPVBQESA-N 381.374 -0.197 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O 841541729 CBQWBOQMDFIZTM-UHFFFAOYSA-N 376.778 -0.434 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)C2=NO[C@@H](CN)C2)c([N+](=O)[O-])c1 852807041 OXWKHQVQZFUFCA-SECBINFHSA-N 385.402 -0.370 5 20 GBBD O=C(NCC1=CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1606715964 FWVHTYPSGJQWHP-ZWNOBZJWSA-N 386.372 -0.252 5 20 GBBD O=C(COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NC(=O)NC1CC1 11386058 ZBSVJMSPHMGMGZ-UHFFFAOYSA-N 390.308 -0.278 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 44885096 MEEDOMLAFPVNNE-UHFFFAOYSA-N 382.442 -0.026 5 20 GBBD C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O 55138940 USKVUFSCHYVAHL-QWRGUYRKSA-N 384.414 -0.015 5 20 GBBD CN(CC(=O)N1CCN2C(=O)NC[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 267840814 NMXJOYJQRYVVKH-GFCCVEGCSA-N 397.413 -0.549 5 20 GBBD Cc1c(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 268034141 WCMMAOIRMFYUOR-LLVKDONJSA-N 398.397 -0.184 5 20 GBBD O=[N+]([O-])c1c(N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)nc2sccn12 274323909 DLYDGJITRAYNSK-UHFFFAOYSA-N 384.403 -0.067 5 20 GBBD COCC[C@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 281579392 LZLUUCNGIADMSA-SNVBAGLBSA-N 390.418 -0.442 5 20 GBBD CCS(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294400403 DODGEESZCDHSDS-UHFFFAOYSA-N 384.414 -0.182 5 20 GBBD Cn1cnc(CCNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 446021351 PXGQYXFTEXLYQA-UHFFFAOYSA-N 397.417 -0.457 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NCc2nc(O)n[nH]2)c([N+](=O)[O-])c1 446861465 MAHRBGCVEHADDY-UHFFFAOYSA-N 385.406 -0.130 5 20 GBBD Cc1c(C(=O)N2CCN(CC(N)=O)C(=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 458046653 LXMUDOQRHHGPRH-UHFFFAOYSA-N 387.356 -0.746 5 20 GBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 489209028 ZDHSATDHXWHVRW-LLVKDONJSA-N 389.434 -0.159 5 20 GBBD Cc1nc(CN2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)n[nH]1 543207391 PAVXRACXKXPCIJ-UHFFFAOYSA-N 381.418 -0.009 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])n1 559138252 DNSXCHQECJHIBB-VIFPVBQESA-N 381.436 -0.500 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCO1 600015535 ITXONAOOKOLRQJ-LBPRGKRZSA-N 379.373 -0.002 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 603627536 UPUVOZKAYTUROD-UHFFFAOYSA-N 393.447 -0.829 5 20 GBBD O=C(CN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] 766908359 LNCKOBDQCQVKHL-JTQLQIEISA-N 381.776 -0.171 5 20 GBBD C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CCn1ccc([N+](=O)[O-])n1 820804409 RVPBBZXCQJCEDV-NSHDSACASA-N 385.392 -0.028 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ccc(-c3nn[nH]n3)nn2)c1 826500440 YJXOSFXEAOTECU-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD O=C(O)COc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 1610787179 XTYGKAONSLJNAJ-LLVKDONJSA-N 378.341 -0.799 5 20 GBBD C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840025374 FAMZSPDBCSCSGP-ZBEGNZNMSA-N 382.373 -0.626 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847447704 TZCJFDHWCSMNCN-KBPBESRZSA-N 378.385 -0.213 5 20 GBBD CC(C)(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 264987690 IEIWFTMKRBHDLM-UHFFFAOYSA-N 393.443 -0.188 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 269941083 ZVJHNEVUXIRYBJ-LSDHHAIUSA-N 385.442 -0.121 5 20 GBBD NC(=O)[C@@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 280285074 WTBFPKXVRMUCAT-WDEREUQCSA-N 386.386 -0.978 5 20 GBBD CN(C)S(=O)(=O)NCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 289046807 XVMJEICRTBLVPY-UHFFFAOYSA-N 380.448 -0.547 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC(=O)N1CCN(C)CC1 298969975 DEZRIXOXHZXBLN-ZDUSSCGKSA-N 391.428 -0.007 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)cc1[N+](=O)[O-] 416454959 UDAJWKVJIQBDNL-LLVKDONJSA-N 389.411 -0.027 5 20 GBBD CN(CC(=O)N1CCn2c(O)nnc2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 438449661 CRAWNWXBURLRQP-UHFFFAOYSA-N 396.385 -0.445 5 20 GBBD CN1CCN(C(=O)Cn2cc(NC(=O)c3cnc(O)c([N+](=O)[O-])c3)cn2)CC1 445174791 BCPNUCSVLXGGBO-UHFFFAOYSA-N 389.372 -0.082 5 20 GBBD NC(=O)N1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 511098196 IAGSVIAHHHHNSR-SNVBAGLBSA-N 385.402 -0.468 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 521135715 OKRXWKGJBMCFPY-ZDUSSCGKSA-N 379.417 -0.062 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCOC3(CNC3)C2)c([N+](=O)[O-])c1 596579644 ISPVOZSQKSLXNC-UHFFFAOYSA-N 399.429 -0.755 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](O)[C@H]1CCCO1 600239937 XLWAEFWJYBUXQJ-UONOGXRCSA-N 387.414 -0.081 5 20 GBBD O=C1CN(C(=O)COC(=O)c2cc(Br)ncc2[N+](=O)[O-])CCN1 769838812 YNCOVVWIBLSZDQ-UHFFFAOYSA-N 387.146 -0.133 5 20 GBBD CNC(=O)[C@@H](O)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 788179800 ZVUMJXXQBBRBHB-HNNXBMFYSA-N 393.400 -0.900 5 20 GBBD Cn1c(=O)c2c(ncn2CCOC(=O)c2ccc([N+](=O)[O-])cc2N)n(C)c1=O 817988463 RCQYPSBOQMHHIG-UHFFFAOYSA-N 388.340 -0.219 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cn(C[C@H]2CCOC2)nn1 860590687 WMDDEYREJBIBOR-SECBINFHSA-N 382.358 -0.264 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 1117318583 WWITYBODYUSOTB-CQSZACIVSA-N 393.448 -0.683 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1118823607 QIVMVUNECXGPPT-CYBMUJFWSA-N 390.400 -0.625 5 20 GBBD O=C(NCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1593038517 PONYFQVGNCTGCI-ZWNOBZJWSA-N 388.388 -0.172 5 20 GBBD O=C(c1cccc(F)c1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1781769707 DSKUQZOYHGFONF-MRXNPFEDSA-N 383.332 -0.512 5 20 GBBD CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1783186350 LKWAQSXXYFLZMJ-MRXNPFEDSA-N 394.388 -0.712 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2cnc[nH]2)C1 1842424532 CQDHKEBOXNTZTL-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD O=C1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CCN1 12053964 SJGBPKSDJZZIGK-UHFFFAOYSA-N 392.368 -0.453 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(N)=O)CC2)cc1OC 54482735 UNXBGXYFULRPDU-UHFFFAOYSA-N 396.400 -0.128 5 20 GBBD C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)N1CCOCC1 68736609 HATDEJZZJGNPCF-JTQLQIEISA-N 378.341 -0.134 5 20 GBBD COc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] 264079870 JJFGSLOVGUWJFG-OCCSQVGLSA-N 399.425 -0.169 5 20 GBBD C[C@@H](O)c1cn(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 268854406 OBEIPNXICNHOOR-SNVBAGLBSA-N 398.401 -0.666 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C[C@H]1C(N)=O 275202691 ZCYXMXGIRRYSPN-SCZZXKLOSA-N 387.370 -0.057 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(C)c1[N+](=O)[O-] 276799163 KLLJXPZQDZAYTL-SNVBAGLBSA-N 388.358 -0.005 5 20 GBBD COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)nn1 284283636 NFBAFKGHFUNSJP-UHFFFAOYSA-N 392.328 -0.264 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 298107368 YXTRLUNTSJBYKA-ZDUSSCGKSA-N 392.368 -0.477 5 20 GBBD NC[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 417280734 LPLAJKJISUFSPV-GFCCVEGCSA-N 387.418 -0.758 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 548572475 XETVZRHOERPEAG-ZETCQYMHSA-N 384.413 -0.081 5 20 GBBD CCOC(=O)C[C@H](CO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 597683284 VXFJFYRYBGHQAP-SECBINFHSA-N 379.325 -0.379 5 20 GBBD CCn1cc(S(=O)(=O)N2CCO[C@H](CNC(=O)NC)C2)c([N+](=O)[O-])n1 599384030 GPGIUXQFYJUFSN-SECBINFHSA-N 376.395 -0.870 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 599488842 GSQBCHZCOQLKOX-UHFFFAOYSA-N 394.431 -0.450 5 20 GBBD CN(CC(=O)NCCc1nnnn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 611315990 RXWXNXPSPVDPOA-UHFFFAOYSA-N 383.390 -0.902 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 619526786 DKXIUTRYVIKNIW-UHFFFAOYSA-N 390.396 -0.333 5 20 GBBD Cc1c(C(=O)OCCN2C(=O)CCC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 735539778 SJXBKNLSPCCDAX-UHFFFAOYSA-N 385.354 -0.144 5 20 GBBD COCCN(C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1=O 820852344 ISDXFWCPVLWHDD-LLVKDONJSA-N 380.405 -0.519 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NCCN2CCNCC2)cc1[N+](=O)[O-] 844226476 IYIGTGOJFYHGBJ-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD C[C@H]1COCCN1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590325971 LGAQILGUBAXBRH-JTQLQIEISA-N 397.417 -0.226 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CCN2[C@H](CNS2(=O)=O)C1 1593466393 APYRAQAWPBKFIJ-LLVKDONJSA-N 380.390 -0.891 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 42994825 QYVFXWXLZSICKU-SNVBAGLBSA-N 391.427 -0.434 5 20 GBBD CCS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57405232 AQQYBCVBIPTORW-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N1CCOCC1 276391925 RMECZHGODCLOIF-UHFFFAOYSA-N 387.370 -0.482 5 20 GBBD CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])[nH]n1)C(=O)NCCN1CCOCC1 285876215 JFIMSUDZSOYTGE-RISCZKNCSA-N 382.421 -0.089 5 20 GBBD CCS(=O)(=O)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421992947 RLEPXDRHZLRAAG-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD O=C(C(=O)N1CC[C@]2(CCNC2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423587094 FFGYOJIFWIQSIS-SFHVURJKSA-N 388.428 -0.150 5 20 GBBD C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 423610283 QUORUKBIWNOKEK-CYBMUJFWSA-N 389.412 -0.301 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 428577115 XCAGSOFBRKXXBJ-NSHDSACASA-N 384.414 -0.048 5 20 GBBD C[C@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])S(N)(=O)=O 543803632 SEFARLOVBOATSD-MRVPVSSYSA-N 392.821 -0.300 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(N2CCNCC2)n[nH]1 567830998 GLBPZXNJHUZTFW-UHFFFAOYSA-N 388.388 -0.119 5 20 GBBD NC(=O)c1ncn(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 593165299 BSWZSOUUJONOPM-UHFFFAOYSA-N 387.356 -0.730 5 20 GBBD CN(C)S(=O)(=O)NCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598625108 LBCKERRWJXPAGM-UHFFFAOYSA-N 375.411 -0.971 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 817919285 PLTLKUJIZPUQTO-BBRMVZONSA-N 391.428 -0.182 5 20 GBBD C[S@@](=O)CCNC(=O)c1cc(C(=O)NCC[S@](C)=O)cc([N+](=O)[O-])c1 1320232531 MNTNPZBUQOHDJO-PLQXJYEYSA-N 389.455 -0.189 5 20 GBBD O=C(NCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)NCC(F)F 1582521756 ZXIJDVXNAOODFL-UHFFFAOYSA-N 384.303 -0.316 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@@H]3COCC[C@@H]32)c1-c1nn[nH]n1 1593483843 LYBLDZBJFKBLKL-GXSJLCMTSA-N 396.385 -0.047 5 20 GBBD O=c1ccc([N+](=O)[O-])cn1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1607090342 FQZLGEPFUALUKW-UHFFFAOYSA-N 377.342 -0.195 5 20 GBBD CC(C)[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378005 ABAFVLVWXCEKRR-XJKSGUPXSA-N 381.389 -0.222 5 20 GBBD O=C1NC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)O1 1793415836 ZPZBTNVNHNDNLU-PKCZLINISA-N 394.340 -0.501 5 20 GBBD C[C@@H](CN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354971 RBBFOKVSETVENL-FQUUOJAGSA-N 391.428 -0.011 5 20 GBBD CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1830524710 FYDAMKOPVCAHRF-GUYCJALGSA-N 396.400 -0.236 5 20 GBBD NCC(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1834668205 YDTVAJFVWUUKMT-UHFFFAOYSA-N 379.421 -0.538 5 20 GBBD O=C(c1ccc[n+]([O-])c1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999035 VEROHXRYKZKTCB-UHFFFAOYSA-N 386.368 -0.058 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 264385581 GIGONHACZQBBFA-LBPRGKRZSA-N 397.457 -0.011 5 20 GBBD C[C@@H](C[S@@](C)=O)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 273097519 NXRYIEXCOIVQKM-CCGUKBGLSA-N 392.459 -0.061 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 283336525 WZJCXJUIRIUREC-JTQLQIEISA-N 385.398 -0.337 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 289582884 RMJDHQYKWCYSCN-UHFFFAOYSA-N 399.429 -0.348 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 298213289 QGDLDQDPCWLQNZ-NSHDSACASA-N 399.381 -0.498 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 371696477 NCEOLUSFLSOUNT-LBPRGKRZSA-N 384.414 -0.087 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@](C)(O)CN1CCOCC1 467488917 YIGAEXIPPOVLAR-FZKQIMNGSA-N 394.428 -0.088 5 20 GBBD COCc1nc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])no1 479729035 JMJQBUCHYSKWCK-UHFFFAOYSA-N 385.358 -0.168 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nc(=O)n(C)[nH]2)CC1 497762784 GVYBCXUTRFLRGF-UHFFFAOYSA-N 396.429 -0.168 5 20 GBBD CS(=O)(=O)N1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 515582758 WIHDAJWXCYIWTF-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516810599 IMWOVRCPKMQMEN-RPHGYIDUSA-N 383.430 -0.478 5 20 GBBD Cn1cccc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1=O 530779272 SNRUDTVKKOSGNH-UHFFFAOYSA-N 386.368 -0.024 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 532102366 ZJMLWBSHFXYFOZ-UHFFFAOYSA-N 385.446 -0.300 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 541313651 XROQZMVDPYJSEB-UHFFFAOYSA-N 384.370 -0.521 5 20 GBBD CN(CCN1CCCC1=O)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 567570494 QTGHMNUHAUCEHX-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD COC(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc([N+](=O)[O-])c1 592991765 OKLOATRTKRZGMH-LLVKDONJSA-N 386.338 -0.295 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCS(=O)(=O)CC1 609173455 GMHDICQGQWDPLM-UHFFFAOYSA-N 391.427 -0.480 5 20 GBBD O=C(O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 852958943 URRASSWFEUEHMB-SVRRBLITSA-N 394.266 -0.691 5 20 GBBD CC[C@@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477294 MOZDYMXXSAUPIO-RVMXOQNASA-N 394.432 -0.091 5 20 GBBD CN1N=C(C(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CCC1=O 1841864451 FVOUAAAPVCHFKO-UHFFFAOYSA-N 389.372 -0.257 5 20 GBBD CC(=O)N(C)CCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998648 DTMDGVTXWSBNJB-UHFFFAOYSA-N 392.416 -0.137 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 43059829 JFSLAJGZIBHCQJ-LLVKDONJSA-N 385.398 -0.217 5 20 GBBD NS(=O)(=O)N1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 359864547 BTCRWOKWXAHTMB-UHFFFAOYSA-N 382.395 -0.366 5 20 GBBD NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1=O 411645767 ULPQZYQUDUCZCP-UHFFFAOYSA-N 383.748 -0.657 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 443476463 OLFIYVHVLQHHJT-UHFFFAOYSA-N 384.461 -0.749 5 20 GBBD CCOc1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)c([N+](=O)[O-])cc1OC 458050436 WEDBBXMEUKHIAD-UHFFFAOYSA-N 380.357 -0.228 5 20 GBBD Cc1c(C(=O)NCCN2C(=O)CCC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 462097320 OZRJVGRGBHHYDC-UHFFFAOYSA-N 384.370 -0.571 5 20 GBBD O=[N+]([O-])c1ccc(NCCn2ncnn2)c(S(=O)(=O)N2CCOCC2)c1 473193160 FQYIFDFKDXRAJU-UHFFFAOYSA-N 383.390 -0.286 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 521843382 LAOBKGMOOKUTSM-UONOGXRCSA-N 387.389 -0.039 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CO)[C@@H](O)C1 545281104 JAEDKSZPIFNKFN-RISCZKNCSA-N 387.414 -0.535 5 20 GBBD COCCN1CC[C@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 557755247 DFVKMRVJBKJQQH-ZDUSSCGKSA-N 394.432 -0.208 5 20 GBBD CN1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](CN)C1 578625610 WHPWLEUWYQLEHZ-NSHDSACASA-N 375.389 -0.811 5 20 GBBD Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 581440983 YDGGLJFNEXVHNW-YUTCNCBUSA-N 389.412 -0.149 5 20 GBBD O=C1NC2(CCCC2)C(=O)N1CCCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 584346128 TXOJKONOKPKHSO-ZDUSSCGKSA-N 380.405 -0.004 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)n1 599218136 GOKZCVLTSVVCGY-UHFFFAOYSA-N 385.406 -0.609 5 20 GBBD CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 748910304 DFYZHDBATIQYDS-LLVKDONJSA-N 380.357 -0.621 5 20 GBBD COC(=O)[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 1322714689 YZGTXADNYBNTEB-CYBMUJFWSA-N 381.341 -0.510 5 20 GBBD CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)COC1 1792619619 QENYKSADYRUVJV-JJLQDPRZSA-N 393.400 -0.583 5 20 GBBD CC[C@@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008944 RGTMTHPJPLKVCJ-CJWQTGLVSA-N 395.416 -0.072 5 20 GBBD CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840208768 WBMYJYMBBGQYFY-BDJLRTHQSA-N 397.388 -0.577 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN2CCN1CC2 276304222 DIVLOEHNQHBUDH-GFCCVEGCSA-N 384.414 -0.341 5 20 GBBD COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 293070935 XRYHNJLOVMGYRL-SMDDNHRTSA-N 391.336 -0.284 5 20 GBBD NS(=O)(=O)c1cnn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 299509842 JLDNBOFXWOLWNI-UHFFFAOYSA-N 394.413 -0.213 5 20 GBBD O=C(O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O 424365151 GLAJEANNYZMMLP-NSHDSACASA-N 378.384 -0.392 5 20 GBBD COC(=O)Cn1cc(CNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1 543015745 VCUKKNZNVCZBTO-UHFFFAOYSA-N 390.356 -0.286 5 20 GBBD CN1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 545862594 XMTLYRWPMBJGCL-OAHLLOKOSA-N 386.430 -0.554 5 20 GBBD COC(=O)c1nc(N2CC(N(C)C)C2)nc(N2CC(N(C)C)C2)c1[N+](=O)[O-] 596180095 SNQPPDHWIXLRLV-UHFFFAOYSA-N 379.421 -0.328 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(NS(C)(=O)=O)C1 600033215 VZIBBZKXOGVTHE-UHFFFAOYSA-N 386.386 -0.308 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 619835479 YXCXYXMXFDMOFZ-UHFFFAOYSA-N 386.386 -0.262 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 1118181650 FEPSRAWEUSZHMU-CYBMUJFWSA-N 376.369 -0.141 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 1324575686 IKEVTLBFIXMASY-LSDHHAIUSA-N 394.432 -0.333 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795976771 FPVHOEQCKDZRLX-VLEAKVRGSA-N 393.404 -0.838 5 20 GBBD COc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)ccc1[N+](=O)[O-] 1847445884 CPGRPDMKNNNBPF-RYUDHWBXSA-N 379.369 -0.342 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NCC(C)(C)N2CCOCC2)c1 106200214 WIGJCMDERGENJT-UHFFFAOYSA-N 396.400 -0.230 5 20 GBBD CNC(=O)[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 272841743 IPQDEFOKBNTMBO-MRXNPFEDSA-N 391.428 -0.310 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O 274991314 MVWQLRQXAGNFLL-ZETCQYMHSA-N 390.326 -0.165 5 20 GBBD C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 282442587 ZNSPWRNFMJTDFI-GWCFXTLKSA-N 399.429 -0.303 5 20 GBBD CNS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 288450293 OZUKCKZLKXAUMN-UHFFFAOYSA-N 378.432 -0.416 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 368183442 XKJNYPNLXMYGFV-ZDUSSCGKSA-N 377.444 -0.008 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 439843177 JFDLPSDIMKTGLO-JTQLQIEISA-N 386.386 -0.179 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](OCCN2CCOCC2)C1 483594019 QTOGQNMOCHAFSW-OAHLLOKOSA-N 380.401 -0.294 5 20 GBBD CS(=O)(=O)c1cccc(N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] 497525524 SGVPRGUZJVCGRN-UHFFFAOYSA-N 395.401 -0.666 5 20 GBBD CN1C(=O)NC2(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)C1=O 537046400 IQENNHUXMUMWBX-UHFFFAOYSA-N 383.386 -0.237 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 545380766 JQGYSWAUKKVOOW-LBPRGKRZSA-N 392.416 -0.423 5 20 GBBD CNS(=O)(=O)c1ccc(N[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 570285853 ZUPCZDCSXHYFLJ-VIFPVBQESA-N 378.432 -0.051 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)N1 572593297 CRQKBHKCXVZPGP-CHWSQXEVSA-N 376.417 -0.153 5 20 GBBD O=C(Cn1cc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])cn1)NCCO 598601812 WTIPRRLHSMWFQT-UHFFFAOYSA-N 392.376 -0.730 5 20 GBBD CN(C)CC(=O)N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598894714 RIIPIBWIXLPGTJ-UHFFFAOYSA-N 392.416 -0.051 5 20 GBBD CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599244939 NGAKGIYKMGTKAX-NSHDSACASA-N 380.423 -0.249 5 20 GBBD CN(C)C(=O)CN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 609506495 ROQJURSFFGCZIJ-UHFFFAOYSA-N 387.418 -0.409 5 20 GBBD CC1=NNC(=O)[C@H]1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 609623359 JGNDIYOPHJRPMO-ZDUSSCGKSA-N 397.413 -0.109 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(CCO)CCN1CCOCC1 610927470 WMFGJQPKISHBTC-AWEZNQCLSA-N 394.428 -0.134 5 20 GBBD C[C@@]1(C2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)NC(=O)NC1=O 820613069 RYAUOYNDJHRUPG-HNNXBMFYSA-N 387.360 -0.016 5 20 GBBD CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])n1 830557280 SOLRJJXKBAOXKW-UHFFFAOYSA-N 398.357 -0.227 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CN(C2CC2)C(=O)O1 848363244 CUTMXDODUIQWRH-LLVKDONJSA-N 398.397 -0.028 5 20 GBBD COCC(=O)N1CCN(c2nnc(-c3cc([N+](=O)[O-])cnc3O)n2C)CC1 1263501205 JTFXKQGTEBPWSF-UHFFFAOYSA-N 377.361 -0.214 5 20 GBBD Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1779382956 IKUVEOFNOJWBKB-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD O=C(Cn1nccn1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780420252 QEYJVMRGPWPMKA-MRXNPFEDSA-N 389.372 -0.342 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 1796288581 GWCKILQHROOKLC-CLLJXQQHSA-N 388.388 -0.279 5 20 GBBD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)C(=O)O 1841999399 OCORZFMGIPKXAT-LBPRGKRZSA-N 394.388 -0.943 5 20 GBBD Cn1c(N)c(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(=O)n(C)c1=O 24875326 XBLXRTOPXODSRC-UHFFFAOYSA-N 387.308 -0.947 5 20 GBBD Cc1nc(CCNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n[nH]1 264310137 CIBBGOJJGXFYHN-UHFFFAOYSA-N 397.417 -0.170 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 264676088 RMEJBPCOEGDHMJ-LBPRGKRZSA-N 375.407 -0.604 5 20 GBBD C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 275983278 FEUAYUXNXITLTM-JQWIXIFHSA-N 393.443 -0.030 5 20 GBBD O=C([C@@H]1COCCO1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298389356 COTPCXNILHMFDK-AWEZNQCLSA-N 385.398 -0.157 5 20 GBBD CO[C@H]1C[C@H]2C(=O)N(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)N2C1 349313320 CGXNFYVIJYVACX-AAEUAGOBSA-N 398.397 -0.075 5 20 GBBD CCC[C@@H](O)[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 414022582 QWCWLDMFHPEBRM-ZYHUDNBSSA-N 375.403 -0.489 5 20 GBBD Cn1cc([C@@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@H]2N)cn1 424513807 YHWGUKOMXZDVOO-JKSUJKDBSA-N 386.412 -0.060 5 20 GBBD COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 444436867 NIXXADDRNDIVDH-LRDDRELGSA-N 393.352 -0.155 5 20 GBBD C[C@H]1CO[C@@H](CO)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 492513396 VOODNUPULRLUKH-WCQYABFASA-N 387.414 -0.177 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])n1 533175018 WMQGNFDWLSRMSR-VIFPVBQESA-N 381.436 -0.487 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 546088885 VOBZYOQZEJOOMO-LLVKDONJSA-N 387.418 -0.210 5 20 GBBD CC(C)[C@H](C(=O)O)N1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 568490068 FLIPENDZSWFQIH-GXSJLCMTSA-N 386.386 -0.022 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 578766874 JNTGBESDBPONQA-ZLKJLUDKSA-N 375.385 -0.458 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 599939238 UAWZTODHLLSREB-UONOGXRCSA-N 390.396 -0.012 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 611001784 IQYCACPPEOZDKB-NSHDSACASA-N 392.459 -0.027 5 20 GBBD O=C(O)c1ccnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 738694572 OIGYPMNSIOCAGD-UHFFFAOYSA-N 377.357 -0.041 5 20 GBBD O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1331015365 VPNCSLZZJWWJBP-OLZOCXBDSA-N 376.369 -0.031 5 20 GBBD O=C(CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1 1577920305 LGMLCFHQIXYKJD-HUUCEWRRSA-N 391.432 -0.459 5 20 GBBD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795549351 OYTOBPCQPOIKID-WJTVCTBASA-N 394.432 -0.106 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)OC 42632097 DWHRROYTWBIABR-SECBINFHSA-N 376.343 -0.014 5 20 GBBD CS(=O)(=O)NCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 47832648 LMXIAHFNTLXKCS-UHFFFAOYSA-N 390.443 -0.120 5 20 GBBD CC(C)NC(=O)CN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 68660286 YACDRUNPPILBCO-UHFFFAOYSA-N 385.446 -0.111 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] 264731280 FEOZIFWOIPMQCJ-ZDUSSCGKSA-N 379.417 -0.305 5 20 GBBD COCCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C 276821684 FRISUXVGUFNRTO-UHFFFAOYSA-N 396.356 -0.493 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 373253146 SBSFCTYZHVDETD-RYUDHWBXSA-N 388.446 -0.633 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1COCCN1C 421982568 HNHAYUHHHKHIFB-CQSZACIVSA-N 386.430 -0.338 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC(=O)N1C 421985293 JKXTZUOAVKYXIQ-CYBMUJFWSA-N 384.414 -0.048 5 20 GBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424362737 ASUWYULPLWCNMT-SNVBAGLBSA-N 378.384 -0.224 5 20 GBBD Nc1nc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)ncc1[N+](=O)[O-] 438903941 RONWGEGYGCZYIP-UHFFFAOYSA-N 399.355 -0.078 5 20 GBBD CCn1cc(S(=O)(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)c([N+](=O)[O-])n1 447842738 CPBLZNCICJPCTB-RYUDHWBXSA-N 392.434 -0.154 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 511606273 ZJXZJESCUYTTJZ-VIFPVBQESA-N 378.432 -0.064 5 20 GBBD CNS(=O)(=O)C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 555231842 DDJPPXALXMKXMG-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD Cc1c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 590548400 BUSWWXHUFPDRRJ-VXGBXAGGSA-N 398.441 -0.168 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 590985986 FRPAMMLNYXNVAG-LBPRGKRZSA-N 390.400 -0.625 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC(NS(C)(=O)=O)C1 619778870 XVNAAMHZYFTTCL-OIKLOGQESA-N 384.414 -0.091 5 20 GBBD COCCCNC(=O)COC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 735539519 OLJOUUXYCJVJPD-UHFFFAOYSA-N 389.386 -0.140 5 20 GBBD CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 863556043 ZNOBBMBXJAOZGZ-LBPRGKRZSA-N 388.358 -0.107 5 20 GBBD COc1ccc(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 899578998 HSSIIBRLMBTRRK-UHFFFAOYSA-N 389.324 -0.044 5 20 GBBD Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O 919012840 ZKNSASHIIQJEQC-UHFFFAOYSA-N 388.402 -0.147 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1323649083 IVZRLVWJJFVGQT-ZDUSSCGKSA-N 398.441 -0.206 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(N2CCOC2=O)CC1 1334165550 AJDZXFSXWLJCRZ-UHFFFAOYSA-N 380.361 -0.649 5 20 GBBD CCC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508069 JCSMBJPOWZVZOB-MRXNPFEDSA-N 395.372 -0.633 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 266078140 UESRHOCLIHBGII-HUUCEWRRSA-N 383.426 -0.249 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@@H](O)C1 297141342 IDCXSSYJCZXIRA-LBPRGKRZSA-N 388.402 -0.724 5 20 GBBD CNc1nc(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)ccc1[N+](=O)[O-] 425321848 SOFRMPOZXKEAOE-LBPRGKRZSA-N 394.432 -0.060 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 505605501 CXUVNJTUTJHTAJ-GFCCVEGCSA-N 394.432 -0.248 5 20 GBBD COCCn1c(N)c(C(=O)CSc2ncc([N+](=O)[O-])c(N)n2)c(O)nc1=O 516492774 VNBUCIIWDUGNGX-UHFFFAOYSA-N 397.373 -0.567 5 20 GBBD CN(CC(=O)N[C@H]1CCN(C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523138713 GERWRVOSYIQBIW-JTQLQIEISA-N 385.402 -0.516 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 532751708 XUSRJFMLDBQNDU-ZDUSSCGKSA-N 399.429 -0.456 5 20 GBBD COc1ccc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 576760972 UITWOUGXKPLHRA-SECBINFHSA-N 379.416 -0.084 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@]1(O)CCOC1 593811994 GEMLRHILBLPHGT-HNNXBMFYSA-N 387.414 -0.079 5 20 GBBD NC(=O)NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 736104232 JZTOVARFSAOJLI-GFCCVEGCSA-N 385.402 -0.468 5 20 GBBD CCONC(=O)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 846131179 LUVHJVBZNVOVCR-UHFFFAOYSA-N 382.329 -0.122 5 20 GBBD Cc1nn(C)c(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)c1[N+](=O)[O-] 920661676 FHVWMUGDHBOYSQ-UHFFFAOYSA-N 379.373 -0.126 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 1261722907 IVTZMYSITQDZJR-DGCLKSJQSA-N 385.398 -0.519 5 20 GBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1604649437 RGXWKZFFNYAMAV-ZWNOBZJWSA-N 388.388 -0.077 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)nn1 1848162819 NYAUXMABWFKSSZ-STQMWFEESA-N 387.356 -0.198 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 57405084 NDIBJZOJOSRGOB-VIFPVBQESA-N 379.416 -0.578 5 20 GBBD Cn1nnnc1N1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 368310665 QYVXYHCUAIOEDJ-UHFFFAOYSA-N 382.406 -0.153 5 20 GBBD CN(CC(=O)O)[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O 435708395 YYAVAQLRSXNOGY-QWHCGFSZSA-N 395.368 -0.503 5 20 GBBD CN(CC(=O)N1CCn2ncnc2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 474828785 BVSWTVSFKWRNGR-UHFFFAOYSA-N 380.386 -0.151 5 20 GBBD COc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] 475460247 QNHVFFMEFBQJIL-OCCSQVGLSA-N 399.425 -0.169 5 20 GBBD C[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCN1S(C)(=O)=O 598615561 YRKURUCDGXGSAP-NSHDSACASA-N 386.434 -0.309 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 600324019 AVRJQTDTJBTFBT-UHFFFAOYSA-N 377.400 -0.628 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 604035658 IPKJYWVCKYOLFO-UHFFFAOYSA-N 398.397 -0.588 5 20 GBBD Cn1cc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 611941229 JAALZVIZFRKSJX-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NCCCN1CCCC1=O 748917886 RWMSSPUPPRIXKR-UHFFFAOYSA-N 380.357 -0.572 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 783785084 HYYKIHVCSRCIBZ-ZUZCIYMTSA-N 384.414 -0.115 5 20 GBBD NC(=O)CN1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1=O 840336733 KECBYPFTFCDQIL-UHFFFAOYSA-N 392.340 -0.275 5 20 GBBD Cn1cc(COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])n1 847782636 ZZXJAEJUTMNZPW-UHFFFAOYSA-N 391.344 -0.791 5 20 GBBD C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H](CO)O1 1590311251 BFKXDMYJFOMYNB-DTWKUNHWSA-N 384.374 -0.455 5 20 GBBD O=C1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 264308542 POQAKMRBXZZJCJ-UHFFFAOYSA-N 385.402 -0.595 5 20 GBBD O=C(CN1CC[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 265193301 ITJIXOZXNOUBEH-AWEZNQCLSA-N 398.441 -0.506 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 272468851 DKSCNKIZJYGKOB-UONOGXRCSA-N 385.398 -0.472 5 20 GBBD O=C(O)[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O 424365150 GLAJEANNYZMMLP-LLVKDONJSA-N 378.384 -0.392 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)O1 470225794 GIQCGULBTFOGIX-MFKMUULPSA-N 378.341 -0.531 5 20 GBBD Cn1cnnc1COCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 584007361 SMVSIEHARSUAEL-UHFFFAOYSA-N 398.401 -0.665 5 20 GBBD C[C@@H](NC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CN(C)CCO1 588662867 ZNHPJUNFZXTLCL-YGRLFVJLSA-N 390.400 -0.077 5 20 GBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(S(=O)(=O)C2CC2)CC1 599128896 NXXWPIJVZLPBDB-UHFFFAOYSA-N 390.443 -0.144 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1COCCN1 599910233 NYHGFUWCESWMMN-LLVKDONJSA-N 387.418 -0.839 5 20 GBBD CN1CCN(C(=O)CN(C)C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 610713119 VEHXKERMORIFMT-UHFFFAOYSA-N 377.401 -0.443 5 20 GBBD CN(CC(=O)N1CCCS1(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739144690 UMEJUQWRUXPEDK-UHFFFAOYSA-N 377.400 -0.223 5 20 GBBD CCn1cc(S(=O)(=O)N2CCSC[C@@H]2S(C)(=O)=O)c([N+](=O)[O-])n1 754810049 OHDDUPOTYPFLLE-VIFPVBQESA-N 384.461 -0.081 5 20 GBBD CCOC(=O)c1ccc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)nc1 761014086 SZJPCRCDELGLPF-UHFFFAOYSA-N 383.342 -0.132 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)OC[C@@H]2C1 764132786 AIALTMUYIGUEAE-LBPRGKRZSA-N 398.397 -0.074 5 20 GBBD Cn1cnnc1COCC(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 815983935 YPSXEFJCIGSITG-UHFFFAOYSA-N 383.386 -0.071 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 917325581 NLVMXQRVDRTONW-UHFFFAOYSA-N 377.313 -0.060 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@](F)(C(=O)O)C1 1601327673 RBSNEHKYKMBEHY-CYBMUJFWSA-N 375.334 -0.102 5 20 GBBD O=C(c1cccnn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380387 KDLIDCMJEXFKHY-MRXNPFEDSA-N 387.356 -0.135 5 20 GBBD O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)C1 1785404860 IBCDZNKZXHGRDT-MRXNPFEDSA-N 377.357 -0.260 5 20 GBBD NCC(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1834667636 APCJRYOOACDEPE-UHFFFAOYSA-N 393.448 -0.678 5 20 GBBD NC(=O)c1cccnc1N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 266644458 CISLDQWOYNKTOE-CYBMUJFWSA-N 375.389 -0.532 5 20 GBBD Cn1cc(S(=O)(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(=O)n(C)c1=O 276333726 IXXROXRNGBFGOU-UHFFFAOYSA-N 396.381 -0.556 5 20 GBBD CCN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCNC1=O 282140645 JIEOMOAUMUKSEB-GFCCVEGCSA-N 399.429 -0.219 5 20 GBBD CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298107091 XUWWCJGWDOATHQ-JSGCOSHPSA-N 398.441 -0.507 5 20 GBBD Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] 299691946 UUSTWTHPOVKUNV-CABCVRRESA-N 383.426 -0.181 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCO2 377812418 WGVLLMPHLDNPDJ-UHFFFAOYSA-N 381.370 -0.108 5 20 GBBD CCOC(=O)[C@](C)(O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 478589416 WPQQKPKRJZDUDP-MRXNPFEDSA-N 379.325 -0.379 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 582185286 FDKFBQKUUNLVFJ-SECBINFHSA-N 379.416 -0.084 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](CC(N)=O)C1 599498523 QYKXBSSXICHABG-SNVBAGLBSA-N 387.370 -0.354 5 20 GBBD NC(=O)N1CCN2C(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@@H]2C1 748695570 OHCRRANVOISECQ-NSHDSACASA-N 394.319 -0.301 5 20 GBBD CNC(=O)c1ccc(CS(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 797330847 RSLHKTPGZSBRTE-UHFFFAOYSA-N 381.370 -0.203 5 20 GBBD C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 817643997 SPYNBFHEEWHWDD-CABZTGNLSA-N 386.386 -0.172 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 1327738874 GOLXEBHKEVFIRG-LLVKDONJSA-N 384.414 -0.124 5 20 GBBD NC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783362898 NJDRMUBCCYBFKP-ZPFDUUQYSA-N 381.389 -0.933 5 20 GBBD CC[C@@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793395763 RHUVDXZCGQVKCC-IMTAKKMFSA-N 395.416 -0.072 5 20 GBBD O=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1 1798747833 QMUIAOKJMNLHDW-YYHMBLRTSA-N 391.384 -0.738 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 273417396 JWXDHTXDCFCCJN-LBPRGKRZSA-N 386.386 -0.736 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCOCC1 371624885 POCGZFMKYXMPSO-OCCSQVGLSA-N 399.425 -0.032 5 20 GBBD Cc1cc(OCC(=O)NCC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 435678189 MXHIADYDIYJDKJ-UHFFFAOYSA-N 380.401 -0.153 5 20 GBBD CC(=O)NCCN(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 518970306 CTHJDRPIHILUQQ-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD COC[C@H](CCO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 534416887 IZCYEPSHLOCPLR-NSHDSACASA-N 375.403 -0.223 5 20 GBBD CN(CC(=O)N1CC[C@H](CO)[C@H](O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545987355 HKCQLKMXFWIDOG-BXUZGUMPSA-N 387.414 -0.583 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 598029195 PZGFDFWFTYFAOR-ZWNOBZJWSA-N 381.370 -0.283 5 20 GBBD CN(CCN(CCN1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 839765751 VSILMJGZYSVXKF-KBUPBQIOSA-N 397.432 -0.300 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1118156776 HUQRBHJTJUMZHS-OLZOCXBDSA-N 379.369 -0.364 5 20 GBBD C[C@H](CN1CCOCC1)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1257059362 HSHIWABTWABYAA-CYBMUJFWSA-N 380.401 -0.073 5 20 GBBD C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1322922488 KKJHYKQPBIKAOG-LLVKDONJSA-N 387.414 -0.019 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590163649 KSBGNFXQYUPIBI-MRVPVSSYSA-N 381.374 -0.374 5 20 GBBD CNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1604876305 LRSFXULIUBSIPO-MRVPVSSYSA-N 381.374 -0.469 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1782790070 WYCXSNWUMFESMQ-SFHVURJKSA-N 390.396 -0.004 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1837798822 DLTFABYOBXVQJG-OAHLLOKOSA-N 397.363 -0.110 5 20 GBBD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1)C(=O)C(=O)O 1844829709 WISISLPRSXKMAM-UHFFFAOYSA-N 393.356 -0.717 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)NC[C@H]1CCCCO1 264643488 GLNFBHVEJFHSKI-CYBMUJFWSA-N 389.434 -0.214 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 266344454 DALGSINWQBLRRS-UHFFFAOYSA-N 384.374 -0.547 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 267260421 WMCYSXIJANCTAH-GJZGRUSLSA-N 399.425 -0.724 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 270943272 XZZWCPOAYSSNCL-SNVBAGLBSA-N 385.398 -0.337 5 20 GBBD Cc1cc(C(=O)NCC(=O)N(C)C[C@H](O)CN2CCOCC2)ccc1[N+](=O)[O-] 273089851 RGDRJZYYOFFBEM-HNNXBMFYSA-N 394.428 -0.215 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(NCCOCCO)c([N+](=O)[O-])c2)CC1 298206642 PNSOSMSGQFMUKZ-UHFFFAOYSA-N 388.446 -0.048 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)NCCOc1ccc([N+](=O)[O-])cc1 532044732 ILSCTSRKTHYZCP-UHFFFAOYSA-N 381.432 -0.168 5 20 GBBD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])C1 574044392 FHLBHELGEYLQJU-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CC(N3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 593507837 NBZONXMDHMTHEX-CYBMUJFWSA-N 378.385 -0.247 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@]1(OCCO)CCOC1 597999438 WVHRSKZFUJFYHS-KRWDZBQOSA-N 381.385 -0.001 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 609517928 HHGCPPWPJYJWGW-SNVBAGLBSA-N 378.341 -0.210 5 20 GBBD COC[C@H](C)S(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 733722368 XDVOLVJGYUWJDB-VIFPVBQESA-N 387.370 -0.199 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 781645631 HDGYMOZPGHBCAH-UHFFFAOYSA-N 387.374 -0.217 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cn1nnn(C2CC2)c1=O 817369572 CSUKLFNDHTWHDA-UHFFFAOYSA-N 397.417 -0.449 5 20 GBBD Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1592589042 QFGCPMYSDXKBPV-UHFFFAOYSA-N 386.376 -0.206 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2)c1nc[nH]c1[N+](=O)[O-] 1796403552 ZPETUHYEMLXXOT-DIYOJNKTSA-N 391.344 -0.736 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1)C(O)O 1802920004 KOQAYCCFYBZRTC-MFKMUULPSA-N 390.356 -0.657 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccnnc1O 1848165787 FTQCKCMIXLMKRK-STQMWFEESA-N 387.356 -0.198 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 267306676 LRNRQNYQPBEWAV-GJZGRUSLSA-N 383.426 -0.181 5 20 GBBD C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 276016145 JUXKJBMKJUEPKG-GWCFXTLKSA-N 393.443 -0.030 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(N2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 277440252 NDUULPMKBLUMLF-GJZGRUSLSA-N 388.446 -0.633 5 20 GBBD CO[C@@H](C)CS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 282333212 WXEMEZGILKMQGE-JTQLQIEISA-N 381.432 -0.173 5 20 GBBD C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1 297385330 WOVDKFHNRPAITH-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C(N)=O)cc1[N+](=O)[O-] 298181804 ZZFMLEUFXBCBCN-SECBINFHSA-N 387.418 -0.317 5 20 GBBD NCC(F)(F)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 417283699 RKPOWRPPRHRDRW-UHFFFAOYSA-N 381.361 -0.234 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)OC)c([N+](=O)[O-])n1 480749161 JPLYTWCRYGDKRR-MRVPVSSYSA-N 378.363 -0.416 5 20 GBBD Cn1nnc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 486494161 HPMZNEPAXSUGQI-UHFFFAOYSA-N 383.390 -0.249 5 20 GBBD COc1cc(C(=O)NCC(=O)NCCN2CCOCC2)c([N+](=O)[O-])cc1OC 520305642 WLSHAXRSLWIXDY-UHFFFAOYSA-N 396.400 -0.210 5 20 GBBD O=C(CNc1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CCNCC2)C1 570723120 WJEXASDQHJXSLB-UHFFFAOYSA-N 383.430 -0.548 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619473801 OXAJQUHSIPCZCM-JTQLQIEISA-N 387.370 -0.344 5 20 GBBD CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619479151 YMXLXSDOTMHNJF-UHFFFAOYSA-N 375.359 -0.358 5 20 GBBD O=C1CC(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)=NN1 731863860 HUQZKVJARGUDPW-UHFFFAOYSA-N 381.370 -0.696 5 20 GBBD O=C1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 815639185 PKQCKKICBXBRBD-NSHDSACASA-N 384.414 -0.094 5 20 GBBD C[C@@H](C(=O)NC1CC1)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 819854885 CVTLNQREGFBBJA-JTQLQIEISA-N 387.404 -0.041 5 20 GBBD Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 832850195 JOMAAXAQFIQTGM-VIFPVBQESA-N 387.370 -0.134 5 20 GBBD O=C(COC(=O)[C@]1(O)CCOC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 840690609 DLJHVPNLBLQYIY-KRWDZBQOSA-N 379.369 -0.062 5 20 GBBD CNC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1327533343 RHHFRXWBHWCTMG-LBPRGKRZSA-N 377.401 -0.397 5 20 GBBD O=[N+]([O-])c1cnc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(-c2nn[nH]n2)c1 1593486200 MFWZMIKNYTYYGO-ZDUSSCGKSA-N 381.374 -0.436 5 20 GBBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CCC([C@H](O)C(=O)O)CC1 1601515196 YHCWESAMTPEUPY-AWEZNQCLSA-N 379.369 -0.062 5 20 GBBD CC(C)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795709396 MUSUIGKFYOHHOC-DABQJJPHSA-N 394.432 -0.091 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404341 NQEHRMTYNJMVLU-PTEHBNRSSA-N 393.400 -0.174 5 20 GBBD O=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C3)CN1 1801675928 OYJJFDDFYRTVKE-CHWFTXMASA-N 376.373 -0.294 5 20 GBBD NCC(=O)N1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1804420375 VARGWVRMZIUZSW-SUMWQHHRSA-N 387.400 -0.149 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828175 BBRJDAJYFMRCSL-JTQLQIEISA-N 378.389 -0.667 5 20 GBBD O=C1CC(C(=O)N2CC3(CCCN3C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1845825444 BXCUJNCDPYEFED-UHFFFAOYSA-N 388.380 -0.061 5 20 GBBD CO[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 272816902 MOFHHYBQJUOAFI-OBJOEFQTSA-N 399.425 -0.034 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 274656803 FTOIENIWEUMHOO-KBPBESRZSA-N 399.425 -0.724 5 20 GBBD COC(=O)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)OC 294227704 ZBGUGMZZXVLTEW-LLVKDONJSA-N 375.359 -0.532 5 20 GBBD CNc1nc(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)ccc1[N+](=O)[O-] 454412209 SLQDTQRRAOHILS-UHFFFAOYSA-N 378.389 -0.160 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 534100148 VOFRYJODQIHLHI-YUELXQCFSA-N 388.446 -0.180 5 20 GBBD NC[C@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 595931807 YLMVZRRNGFQLTO-LSDHHAIUSA-N 398.441 -0.209 5 20 GBBD CC(C)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CC[C@@H](N(C)C)C1 597691944 JFDRYHJATBUCAJ-OLZOCXBDSA-N 381.437 -0.120 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600084642 FZRADUTWGUEERK-UHFFFAOYSA-N 399.429 -0.243 5 20 GBBD CCNS(=O)(=O)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 731686143 TXYUCXYIFXHOMI-UHFFFAOYSA-N 386.434 -0.239 5 20 GBBD Cc1nc(=NC(=O)Cn2cnc([N+](=O)[O-])n2)n(-c2ccc(-c3nn[nH]n3)cc2)[nH]1 737483735 YJHWQKCZDDCILO-UHFFFAOYSA-N 396.331 -0.684 5 20 GBBD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761424060 XSHIHQZVGJERIJ-SNVBAGLBSA-N 399.385 -0.600 5 20 GBBD Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)Cn3ccc([N+](=O)[O-])n3)ccc21 774907712 FHTRCMCMBWNWFL-UHFFFAOYSA-N 394.369 -0.513 5 20 GBBD CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)N=c1cc[nH]cc1[N+](=O)[O-] 825929865 MWKAVDUBQMHATG-UHFFFAOYSA-N 387.364 -0.006 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)[C@H]2CCN(C)S2(=O)=O)ccc1[N+](=O)[O-] 842719098 JEEJLTFRLXIMLF-LLVKDONJSA-N 377.400 -0.258 5 20 GBBD CCONC(=O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 845550755 QOEVESPVJJQDMH-UHFFFAOYSA-N 389.390 -0.760 5 20 GBBD CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)C1 1347104152 GBTOBLHYZVTIHY-AWEZNQCLSA-N 393.448 -0.854 5 20 GBBD CC(C)(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008961 UDVCGXQSBGALHQ-QPPBUOOMSA-N 395.416 -0.072 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839770139 FQTKEATZPPIDSU-XMZIXOGTSA-N 397.363 -0.254 5 20 GBBD O=C1NC(=O)[C@@H](CC(=O)N2CCCC23CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)N1 1841958056 RJXDGSNRZMKHAZ-SECBINFHSA-N 391.340 -0.397 5 20 GBBD NC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845312025 XRZSYOOOQSCISF-UHFFFAOYSA-N 377.357 -0.214 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845913357 BFGHHEQVOCKCDT-NSHDSACASA-N 397.413 -0.288 5 20 GBBD NC(=O)[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 51131298 PVZCUAFMDMAGHM-OAHLLOKOSA-N 377.401 -0.571 5 20 GBBD CS(=O)(=O)CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 69411177 JDLJCFAHYUQIJG-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD CN1CC[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 265785101 WAOKUAGEZUKAPO-LBPRGKRZSA-N 399.429 -0.255 5 20 GBBD O=C1CN(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 266618086 SNYMJUGWHMUZGP-LLVKDONJSA-N 397.369 -0.669 5 20 GBBD C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 413459829 YGRVQUXCCWBGPF-ZWNOBZJWSA-N 375.403 -0.231 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 426887374 VMRBAALYNUKSPI-SECBINFHSA-N 378.432 -0.240 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCc2cn(CC(=O)O)nn2)ccc1[N+](=O)[O-] 439719771 ONTZUCAIGKAANW-UHFFFAOYSA-N 376.329 -0.374 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 485828658 ANLFVRFFDZDEJE-BXKDBHETSA-N 375.341 -0.524 5 20 GBBD CN1C(=O)c2ccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2C1=O 492695175 IDTWCXLCEVGNPH-UHFFFAOYSA-N 386.324 -0.228 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] 497563143 IZNSBKIBNQJHCO-AWEZNQCLSA-N 394.384 -0.087 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 569710147 OMMWLIOFABOHPO-GFCCVEGCSA-N 380.400 -0.569 5 20 GBBD CO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](CN)C1 570928503 JZYDHKRIDFKJKF-RYUDHWBXSA-N 386.430 -0.162 5 20 GBBD Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1[N+](=O)[O-] 604208027 QVRLFYWLMUTZJH-UHFFFAOYSA-N 399.429 -0.208 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(S(=O)(=O)NCCO)s1 748129201 RDPFTKLLZYHMNH-UHFFFAOYSA-N 390.399 -0.020 5 20 GBBD CN(C)c1c(COC(=O)CCn2cc([N+](=O)[O-])cn2)c(=O)n(C)c(=O)n1C 814063739 OPFOVAGHDOWZHC-UHFFFAOYSA-N 380.361 -0.612 5 20 GBBD O=C(NCCN1CCCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 846742190 OYSILZWTJCBDDJ-UHFFFAOYSA-N 389.412 -0.018 5 20 GBBD O=C(Cn1cnnn1)N1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1606623851 MZDKYDZWBILENR-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1783952242 GPJONEZYQSYRPW-MHEUCROKSA-N 395.416 -0.458 5 20 GBBD O=C1NC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C3)O1 1793649495 XKXOOPXIFWRUAJ-DKIAZLNASA-N 378.345 -0.322 5 20 GBBD CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1830524706 FYDAMKOPVCAHRF-CXAGYDPISA-N 396.400 -0.236 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1[N+](=O)[O-] 272953636 QPCUYBSWECGZIV-UHFFFAOYSA-N 393.400 -0.050 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C(=O)O)C[C@@H]1C(N)=O 275202693 ZCYXMXGIRRYSPN-WCBMZHEXSA-N 387.370 -0.057 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 372731351 UUPSMXHMSTUDQU-GFCCVEGCSA-N 380.386 -0.061 5 20 GBBD CC(C)[C@@H](N)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 419984949 VJZZAGNPFKNEEX-ZDUSSCGKSA-N 386.430 -0.416 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] 490856770 HQJWFPXQCVSSSZ-LLVKDONJSA-N 391.340 -0.904 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] 493418565 XGYQFHSLHPSWAQ-SNVBAGLBSA-N 388.333 -0.333 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(n2ccnn2)C1 500553042 KHTHEEJCVOEHBE-UHFFFAOYSA-N 380.386 -0.062 5 20 GBBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCCN1CCNC(=O)C1 512899203 BJNBTSPCOABJQB-UHFFFAOYSA-N 397.819 -0.084 5 20 GBBD CC[C@H](C)[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 514720568 XFGXOJRADFKZAI-WCQYABFASA-N 382.421 -0.089 5 20 GBBD CN(CC(=O)N1CCCO[C@H](CN)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 569360902 ZWSVYHFRVDLNID-CYBMUJFWSA-N 386.430 -0.209 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCCNC1=O 590926099 YLZAYNDFODEMOB-LLVKDONJSA-N 399.429 -0.302 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598903782 COIDISBNDNMBCZ-UHFFFAOYSA-N 385.402 -0.276 5 20 GBBD CNS(=O)(=O)CCCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 600664664 BPJVJGKMIQEUAR-UHFFFAOYSA-N 388.402 -0.611 5 20 GBBD Cc1c(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cccc1[N+](=O)[O-] 604207989 PVWMYPNSZNDQEI-UHFFFAOYSA-N 399.429 -0.208 5 20 GBBD O=[N+]([O-])c1c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2ccccn12 778580738 HSDABGUZJHSFOT-NEPJUHHUSA-N 381.414 -0.478 5 20 GBBD COC(=O)[C@H](C)S(=O)(=O)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 797304251 MUJOGUQXSRVLFD-QMMMGPOBSA-N 376.343 -0.010 5 20 GBBD COc1cccc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1324669849 OWLVTHANQQFWBJ-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])c3)CC2)o1 1606019405 JKTPCWDWXKCDKF-UHFFFAOYSA-N 388.348 -0.383 5 20 GBBD CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801038503 WDAREWBDOUCNQO-OHTBPHCPSA-N 381.389 -0.584 5 20 GBBD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 22357815 HAMNXMYELSMBAA-LBPRGKRZSA-N 377.401 -0.432 5 20 GBBD O=C(NCCCOCCO)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 272667547 OLDLTWKYAPPZRY-UHFFFAOYSA-N 390.418 -0.429 5 20 GBBD COCCN(C)CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 286179540 WYBMOTQFELAHQV-UHFFFAOYSA-N 393.444 -0.062 5 20 GBBD N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 419860580 LCGXGSSKBOQJTE-HNNXBMFYSA-N 389.412 -0.267 5 20 GBBD C[C@@H]1CCNC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420107485 AWIVQMASZICHRP-BXUZGUMPSA-N 398.441 -0.401 5 20 GBBD O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCN([C@H]2CCNC2)CC1 423302041 GRVDTIAJVHMIES-KRWDZBQOSA-N 387.440 -0.014 5 20 GBBD Cc1c(C(=O)N[C@H](C)CN2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 462013452 FWXWLNVROZEBHT-LLVKDONJSA-N 399.473 -0.084 5 20 GBBD O=C(c1cn(CCO)c(=O)nc1O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 497861333 WWPVWHYWYYSEDU-SNVBAGLBSA-N 390.356 -0.429 5 20 GBBD NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 569025570 WYARDNDQNJYLMM-ZDUSSCGKSA-N 388.384 -0.490 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 574340308 YRMDNHYOJIGWEK-PWSUYJOCSA-N 383.430 -0.407 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 579853402 ODSLGLRSHUJBQD-UONOGXRCSA-N 375.385 -0.515 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 598026418 FDAWDIFALCBOST-OASPWFOLSA-N 385.398 -0.359 5 20 GBBD Cc1[nH]c(=NC[C@H](O)[C@@H]2CCCO2)[nH]c(=NC[C@H](O)[C@H]2CCCO2)c1[N+](=O)[O-] 599131647 AAJXKIKIGUXSLY-FQUUOJAGSA-N 397.432 -0.559 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 813943982 JFLRGEGCHJZFOH-UHFFFAOYSA-N 386.386 -0.501 5 20 GBBD NC(=O)c1cccnc1N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 822890388 UEDDHOZVSQEZGQ-UHFFFAOYSA-N 396.371 -0.010 5 20 GBBD O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CCNCC2)C1 842513921 RJULHJGWDPBJJZ-UHFFFAOYSA-N 399.385 -0.438 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1323427836 OVCBDSSMKDJZHC-CYBMUJFWSA-N 398.441 -0.206 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1326739211 VSDNCIWGKNQEJR-GFCCVEGCSA-N 382.398 -0.413 5 20 GBBD O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 1335302285 XTHDRFBVWFUROL-OWCLPIDISA-N 385.442 -0.284 5 20 GBBD CN(CC1CCN(C(=O)C(N)=O)CC1)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1591058121 MIJGMNHMLGNCHR-UHFFFAOYSA-N 388.388 -0.065 5 20 GBBD CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389036 KHNODQUIBYEATN-SECBINFHSA-N 379.377 -0.418 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 12611212 CTEPQAQEJKRQHK-UHFFFAOYSA-N 376.369 -0.262 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O 265085627 WIORMJXPETUTAJ-UHFFFAOYSA-N 375.341 -0.336 5 20 GBBD CC(C)(CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O 265260885 AYVACISVNBLHET-UHFFFAOYSA-N 387.418 -0.316 5 20 GBBD CN(CC(=O)N[C@@]1(CCO)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 277991655 CYGQGBKHULTMFC-HNNXBMFYSA-N 387.414 -0.127 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN1C(=O)CNC1=O 281677800 MOGLRYVWPJXPIY-UHFFFAOYSA-N 379.329 -0.400 5 20 GBBD O=C(NCCC(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1ccc([N+](=O)[O-])cc1 424241984 LTNNWFSHVTYTQU-LBPRGKRZSA-N 399.381 -0.575 5 20 GBBD CNC(=O)C[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 455456885 FVIJWRBAJUAAOJ-JTQLQIEISA-N 387.418 -0.303 5 20 GBBD CCn1cc(S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)O)c([N+](=O)[O-])n1 485295430 POQRGAPUYWAOKR-MRVPVSSYSA-N 377.379 -0.589 5 20 GBBD CNC(=O)[C@H]1CN(c2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])CCO1 541935002 FITRKOOUNAESMP-QMTHXVAHSA-N 394.384 -0.163 5 20 GBBD O=C(CN1CCC2(CC1)NC(=O)NC2=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 556344340 HIZSHQJIBJBOEF-UHFFFAOYSA-N 391.340 -0.064 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 732073869 MARXZZPYEORAEF-GFCCVEGCSA-N 379.329 -0.030 5 20 GBBD C[C@@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCC[C@H](C(N)=O)C1 748910945 KCSGVKHNTFBGIJ-MNOVXSKESA-N 380.357 -0.588 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCc2cnnn2C)cc1[N+](=O)[O-] 811030866 UDAZDHYPHYFQTM-UHFFFAOYSA-N 384.374 -0.213 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1CCN(C)S1(=O)=O 842691994 FRWSROPPLZBTOU-NSHDSACASA-N 377.400 -0.258 5 20 GBBD CS(=O)(=O)NCCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 1322798597 WBHLBTNWNYDREH-UHFFFAOYSA-N 384.414 -0.249 5 20 GBBD O=C(O)CN1CCC[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 1574718688 BFLHJNNNGHQNFS-GFCCVEGCSA-N 391.384 -0.038 5 20 GBBD Cn1cc(/C=C/C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O 10939010 CYQJAPFEGCGFOY-AATRIKPKSA-N 388.336 -0.152 5 20 GBBD CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O 287291939 MGGIKTIKCWAKBZ-RBSFLKMASA-N 399.425 -0.034 5 20 GBBD O=C(CN1CCCS1(=O)=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294721430 YPHJKJSZYMRZNN-UHFFFAOYSA-N 396.425 -0.085 5 20 GBBD O=C1O[C@H]2C[C@H]1N(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 297351180 UQZMUKWWWKJXBX-CMPLNLGQSA-N 384.370 -0.418 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 495294759 NOYJVDGALLJAOV-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 536252106 APPBCUKEKBJWIY-QMMMGPOBSA-N 393.399 -0.583 5 20 GBBD CN1C(=O)CN(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O 776200209 LHEGFXGJPYUASA-UHFFFAOYSA-N 397.413 -0.247 5 20 GBBD Cn1ncc(C(=O)COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 791553650 OAVQIICMLVAYIF-UHFFFAOYSA-N 375.297 -0.125 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 1326168082 VOPZQJCRIBBDOL-HUUCEWRRSA-N 391.432 -0.072 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21)C(O)O 1783868088 QQMNZHHPNLNOBI-MJVIPROJSA-N 395.368 -0.796 5 20 GBBD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)n1cnnn1 1846645665 VDPWZZFCKSHKJA-VIFPVBQESA-N 375.349 -0.617 5 20 GBBD O=[N+]([O-])c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 271073823 WKJTXNZGRRSIPR-UONOGXRCSA-N 386.386 -0.217 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 366662170 JRDKCKPQKLNGSV-JTQLQIEISA-N 399.429 -0.219 5 20 GBBD CN(CC(=O)Nc1nccn(C)c1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 444107927 XDIATEWHXMAGAF-UHFFFAOYSA-N 381.370 -0.052 5 20 GBBD O=c1ccc([N+](=O)[O-])cn1CCN1CCC(N2CCS(=O)(=O)CC2)CC1 464483479 YKARSARHQXLONE-UHFFFAOYSA-N 384.458 -0.049 5 20 GBBD CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 490647455 DJFYSZMDFRTFDA-UHFFFAOYSA-N 393.349 -0.218 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 567124722 PYECFLUAOFGIGI-WDEREUQCSA-N 377.357 -0.688 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(C(C)(C)C(=O)O)CC2)c([N+](=O)[O-])n1 600658251 ZTCQCNFCSZVHMQ-UHFFFAOYSA-N 375.407 -0.019 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccn(CCN2CCOCC2)n1 609428347 QDJDSFSQGDNVRW-UHFFFAOYSA-N 376.373 -0.076 5 20 GBBD Cc1n[nH]cc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735080976 CEAGAYWFBVTMFF-UHFFFAOYSA-N 389.415 -0.117 5 20 GBBD CC[S@@](=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735109792 KBEHTYUQNCSCKP-XMMPIXPASA-N 392.459 -0.059 5 20 GBBD COCCNS(=O)(=O)c1cccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c1 761245947 LPLKPFFWUNIPPQ-UHFFFAOYSA-N 399.385 -0.032 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@]1(C(=O)O)CCOC1 1601302472 NBTAQWYFJUZRLY-INIZCTEOSA-N 379.325 -0.072 5 20 GBBD O=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CN1 1780420003 YMOQZXKOUQHOHQ-PIGZYNQJSA-N 391.384 -0.498 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798744919 UEXQAVKEIMWCRU-YYHMBLRTSA-N 393.400 -0.362 5 20 GBBD CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389840 JSDDCZDZYOFONI-UHFFFAOYSA-N 395.445 -0.381 5 20 GBBD O=C(Cn1cnnn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 14845645 NFSYLPYYKOGMNG-UHFFFAOYSA-N 381.374 -0.886 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] 281768635 IAQQCMLOBVNCGQ-SECBINFHSA-N 379.329 -0.920 5 20 GBBD Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] 299691957 UUSTWTHPOVKUNV-HUUCEWRRSA-N 383.426 -0.181 5 20 GBBD NC[C@H]1CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420042548 NMERRRRNQYEHAI-BXUZGUMPSA-N 398.441 -0.272 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 457227416 DWUIIHUOVRHYGV-KWQFWETISA-N 377.309 -0.674 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)O1 470808514 QCUPJYDNJXWIGE-AXFHLTTASA-N 380.357 -0.059 5 20 GBBD CN1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 498085675 YSSDHHJERXFGCX-HNNXBMFYSA-N 398.441 -0.242 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)c([N+](=O)[O-])n1 543169934 BRNIJNMAAQHRIY-UHFFFAOYSA-N 384.422 -0.256 5 20 GBBD COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 549854139 GOFCEYNMFWIXKX-JTQLQIEISA-N 375.359 -0.498 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CCO[C@@H]2CN)c([N+](=O)[O-])c1 595923143 QSUXVGPFKBKOEV-SMDDNHRTSA-N 386.430 -0.110 5 20 GBBD CC(C)NS(=O)(=O)NCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598619944 IZSZIZXDXAHMDC-UHFFFAOYSA-N 389.438 -0.534 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598900117 NGWIAJHYNJAWRO-GFCCVEGCSA-N 385.402 -0.134 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 610260411 DIYKXNUSVFWHQW-UHFFFAOYSA-N 379.420 -0.898 5 20 GBBD O=C(NCCn1ccnn1)c1cc(C(=O)NCCn2ccnn2)cc([N+](=O)[O-])c1 613116372 ZSTMZTHTCVJYMU-UHFFFAOYSA-N 399.371 -0.362 5 20 GBBD O=C(NCC(=O)OCCCN1C(=O)CNC1=O)NCc1ccc([N+](=O)[O-])cc1 733474489 OBJQJEOXGCJFEK-UHFFFAOYSA-N 393.356 -0.121 5 20 GBBD CN1CCN(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CCO2)CC1 736863961 NSNYADWYADRXAR-CYBMUJFWSA-N 389.420 -0.378 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 757336416 UNRUSZHMORACHK-UHFFFAOYSA-N 384.374 -0.272 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1[N+](=O)[O-] 777981470 CMPIPDWKVJMNDA-DTORHVGOSA-N 375.359 -0.111 5 20 GBBD Cn1c(=O)c2nc(COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[nH]c2n(C)c1=O 785284574 TWXLCWJPVNKNCX-UHFFFAOYSA-N 391.344 -0.457 5 20 GBBD COC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 821684510 BNZCFFJJUKGKBA-VIFPVBQESA-N 384.374 -0.189 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c1-c1nn[nH]n1 826500202 OESVLAPPHXACCH-JTQLQIEISA-N 394.417 -0.947 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1117311241 HPLNBHDPRVOWMB-UHFFFAOYSA-N 396.425 -0.324 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1319471669 OWSTZUHQGOFRPZ-ZDUSSCGKSA-N 377.401 -0.479 5 20 GBBD CN(Cc1nnc(N2CCS(=O)(=O)CC2)n1C)c1ccncc1[N+](=O)[O-] 1344405209 YXIXTLWSSUOWLZ-UHFFFAOYSA-N 381.418 -0.011 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1606276904 CBPKWFBKRNFWEK-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787480602 XZQPUYCHUSHUAV-CYDGBPFRSA-N 393.400 -0.052 5 20 GBBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1793807265 SWPBKRDZNASEHS-QHBPRCKVSA-N 397.359 -0.823 5 20 GBBD CNC(=O)NC(=O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 15486346 GKDHGBTYBSPAOM-UHFFFAOYSA-N 399.429 -0.424 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN12 267764026 NZPRXXZQKKREHI-VIFPVBQESA-N 384.370 -0.236 5 20 GBBD Cc1oc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1S(N)(=O)=O 269290786 DBHYKDJCPKTDEA-BXUZGUMPSA-N 399.381 -0.032 5 20 GBBD COCC(=O)N(C)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294358684 BJLKEDRKKAIPLK-UHFFFAOYSA-N 378.385 -0.016 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 370713076 DQRAPBYAADDPNJ-BMIGLBTASA-N 379.377 -0.189 5 20 GBBD Cc1ccc(S(=O)(=O)NC2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc1 427735361 IUFQSUODRACPSJ-UHFFFAOYSA-N 380.386 -0.316 5 20 GBBD COC(=O)Cn1cc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nn1 441986163 KTULOCGSEUAWOO-UHFFFAOYSA-N 390.356 -0.204 5 20 GBBD COC(=O)c1ccsc1N1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1=O 471560777 ZRYMCRWFKXQHHB-VIFPVBQESA-N 394.369 -0.044 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473711708 CXGMTADZMQMSEL-YPMHNXCESA-N 388.340 -0.271 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCn1ncnn1 533225736 RSBAKXHOQQYXOX-VIFPVBQESA-N 383.390 -0.158 5 20 GBBD COCCN(C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2O)CC1=O 552106871 TVIWSGMNJPGSGF-LLVKDONJSA-N 381.389 -0.396 5 20 GBBD CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 595278475 UFCLNGGGMLXVRI-ILXRZTDVSA-N 389.412 -0.068 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 741623158 VARXPFUMTUHSJV-UHFFFAOYSA-N 383.386 -0.034 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC2)cc1[N+](=O)[O-] 746900383 UOWDKEASANRVEA-UHFFFAOYSA-N 386.386 -0.310 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 854382690 IWYUNBBJSDOBPR-HIFRSBDPSA-N 395.368 -0.465 5 20 GBBD C[C@@H](N)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1589912562 KDMMLNHWPJUANC-PSASIEDQSA-N 383.390 -0.488 5 20 GBBD CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1783957907 PXASTFKWVTTWGO-YFKTTZPYSA-N 381.389 -0.318 5 20 GBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1835552829 GBKRUFFOCQXPSS-KRWDZBQOSA-N 394.384 -0.671 5 20 GBBD N=C(N)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])o1 1847653709 ZRNYEZPALGWZNS-YNXKYEFMSA-N 376.373 -0.114 5 20 GBBD COc1ccc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1[N+](=O)[O-] 268087800 IDFLVXCEAOLUSU-UHFFFAOYSA-N 383.386 -0.068 5 20 GBBD NS(=O)(=O)c1ccc(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 269046440 ORUBQBIYZLYTQX-UHFFFAOYSA-N 382.402 -0.019 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 272957936 ZBBCHOFHXIKRPK-UHFFFAOYSA-N 399.429 -0.585 5 20 GBBD N[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 423403535 YIWUWPHVPNWNLM-CYBMUJFWSA-N 375.385 -0.561 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 468649704 QKSASHZMZFTIME-CABZTGNLSA-N 378.341 -0.787 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NC[C@@H](O)C(F)F)c([N+](=O)[O-])c1 475210706 HWKBNMKUEUIORQ-SNVBAGLBSA-N 382.345 -0.214 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCO1 542877708 AATQNJSVMLTDAO-GFCCVEGCSA-N 386.386 -0.862 5 20 GBBD CCC(CC)(NC(=O)C1CN(C(=O)c2cc([N+](=O)[O-])cnc2O)C1)C(N)=O 566757660 MPXYEEGZLUWIMT-UHFFFAOYSA-N 379.373 -0.072 5 20 GBBD COC(=O)C[C@H](O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 599461300 BXTSGGANUJLYPO-QMMMGPOBSA-N 376.343 -0.432 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 611005526 NENIUEROWVWUIQ-MNOVXSKESA-N 388.450 -0.023 5 20 GBBD Cn1nnnc1CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 611316064 ZPNWRIWATBOZEO-UHFFFAOYSA-N 383.390 -0.854 5 20 GBBD CCN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 619803437 DPEBQUYVVJBWFT-CYBMUJFWSA-N 399.429 -0.207 5 20 GBBD O=C1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1 815122614 ZZBWKOYJGHMNLI-LLVKDONJSA-N 384.414 -0.094 5 20 GBBD NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 822859007 FAKYVXRLDBPNPE-QMMMGPOBSA-N 381.374 -0.339 5 20 GBBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1802091686 IERKCYIHZPPVRY-QHBPRCKVSA-N 397.359 -0.823 5 20 GBBD CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 16520611 ZKHHWKLOGVCBGM-UHFFFAOYSA-N 399.429 -0.335 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 272556023 URDZRTUBZCHBOO-ZDUSSCGKSA-N 382.398 -0.890 5 20 GBBD COC[C@@H](C)NC(=O)NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 298102379 VYNAHSNVYPHQAQ-MRVPVSSYSA-N 390.374 -0.518 5 20 GBBD NS(=O)(=O)c1cc(N2CCN(CC(=O)NC3CC3)CC2)cc([N+](=O)[O-])c1 298793115 MSKHDIRQNDLZTB-UHFFFAOYSA-N 383.430 -0.357 5 20 GBBD CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 299344845 KKBXFWONRTUPCV-UHFFFAOYSA-N 375.359 -0.358 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O 425081368 GECDLELPNCXMPU-LBPRGKRZSA-N 377.357 -0.342 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 468667605 NTCMYBGXHDJLHV-GFCCVEGCSA-N 388.340 -0.402 5 20 GBBD CN(CCCNC(=O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 509146686 OCELHGWXWFDGRW-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 562258966 YMPRMILGCYHCIZ-UHFFFAOYSA-N 386.434 -0.287 5 20 GBBD Cc1cc(=O)c(C(=O)N[C@@H]2CC(=O)N(C)C2=O)nn1-c1ccccc1[N+](=O)[O-] 562768399 OSMPGJSIWXSJCE-SNVBAGLBSA-N 385.336 -0.064 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)Nc1ccn(C)n1 588899826 WDHIVUCORRCOFR-UHFFFAOYSA-N 397.369 0.032 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737837291 UVAYNMOBMHHVIO-UHFFFAOYSA-N 393.443 -0.282 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CCN2C1=O 751968206 JFOOHFBFBDGCKQ-NSHDSACASA-N 383.386 -0.285 5 20 GBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCCN1CCCS1(=O)=O 773108588 ARBBRADYYXOUME-UHFFFAOYSA-N 397.365 -0.231 5 20 GBBD CCc1[nH]nc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] 795613589 UTACIPRIFGWQBN-UHFFFAOYSA-N 396.404 -0.731 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(OCCO)CC2)c1-c1nn[nH]n1 826500339 UOHQSBOTHSSZFR-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1340387037 JETGFGZSCSRVGG-UHFFFAOYSA-N 391.428 -0.120 5 20 GBBD CC(C)(C(N)=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1589065093 ZWNDEHDTUHYABT-UHFFFAOYSA-N 388.388 -0.065 5 20 GBBD COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591253617 CQFPCVQADSKRIG-LBPRGKRZSA-N 375.345 -0.410 5 20 GBBD O=C(CN1CCOCC1)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1592868479 JIHOEOSGPGUFSA-UHFFFAOYSA-N 376.377 -0.365 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CC1 1800359235 XEAJOZHILRKLPO-GNXNZQSNSA-N 381.364 -0.117 5 20 GBBD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839277148 YHCUIZRDJSEXJB-QGZVFWFLSA-N 396.375 -0.237 5 20 GBBD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839357082 WTAZXZHFEIVFOC-QGZVFWFLSA-N 396.375 -0.237 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 264377381 DQQLIXIHOAWMOK-JSGCOSHPSA-N 388.446 -0.160 5 20 GBBD COC[C@@H](O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 265464791 OAAWBBNZDFHDOK-NSHDSACASA-N 376.435 -0.146 5 20 GBBD CC[C@@H]1C(=O)NCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265535913 IAFVKKDCABMVTA-CYBMUJFWSA-N 384.414 -0.048 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 272243802 WZCKOEKEYNSBKS-UHFFFAOYSA-N 390.352 -0.114 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273431614 ZEVQIFLRMOUFJY-UHFFFAOYSA-N 384.349 -0.001 5 20 GBBD NC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1 369177582 SJTMTIFBNHTTRL-NXEZZACHSA-N 382.398 -0.026 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 436952318 WQWLJMWZUUDVEY-UHFFFAOYSA-N 390.352 -0.266 5 20 GBBD COc1c(F)cc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-] 440762974 RUXGFWSMJSWCFW-UHFFFAOYSA-N 390.393 -0.205 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1C(=O)CNC1=O 469141717 BRIIMWRFIRKFDT-SNVBAGLBSA-N 381.393 -0.115 5 20 GBBD O=C1NC[C@H]2CN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)CCN2C1=O 572799969 BPKSNZVIHXENON-NSHDSACASA-N 393.375 -0.283 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598907830 ZXHIBOPAXKGNLE-UHFFFAOYSA-N 388.406 -0.772 5 20 GBBD CS(=O)(=O)NCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610125988 GLBQOZHAOXDSHN-UHFFFAOYSA-N 384.414 -0.182 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCC2(CO)COC2)cc1[N+](=O)[O-] 763608598 YLLRMDGKGSSUAE-UHFFFAOYSA-N 389.386 -0.533 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 1593473905 GHNGUCQPHHYLHR-QRTLGDNMSA-N 396.385 -0.143 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)O)CC1 1598988395 PPQSXCMXXPMTFS-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@](F)(C(=O)O)C1 1601327674 RBSNEHKYKMBEHY-ZDUSSCGKSA-N 375.334 -0.102 5 20 GBBD CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779390004 XUFJHZSKSMQNJT-INIZCTEOSA-N 394.388 -0.712 5 20 GBBD CS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795788427 CKMMJXKDXILXQG-ILWJIGKKSA-N 385.402 -0.386 5 20 GBBD CCN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 273250447 DDGZXAJABIHNIC-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD O=C(C(=O)N1[C@H]2CCNC[C@H]1CC2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423671719 NKSQAGLRGUFIHO-ZIAGYGMSSA-N 388.428 -0.009 5 20 GBBD CN1C(=O)NC2(CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CC2)C1=O 428153337 VAAKNCGFURICIF-UHFFFAOYSA-N 383.386 -0.237 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 457264728 NJXPLGQNKKBHMK-ONGXEEELSA-N 387.370 -0.992 5 20 GBBD Cc1nc(S(=O)(=O)NCCC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1C 492769079 JXAWGXJZPJXOHE-UHFFFAOYSA-N 385.406 -0.682 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 505985844 CSNMUVICSGAMEJ-CYBMUJFWSA-N 382.421 -0.523 5 20 GBBD O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 514858362 UMLHJKALJVCCJK-OAHLLOKOSA-N 378.297 -0.027 5 20 GBBD CCN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 516955843 CRLRPNIRBQPOJU-UHFFFAOYSA-N 376.417 -0.198 5 20 GBBD Cc1cc(=NC(=O)CN2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)[nH]o1 548055988 BAMGAXHIAZMERM-UHFFFAOYSA-N 389.372 -0.313 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)O)c([N+](=O)[O-])c1 548258317 YULSEOIQMBVQBH-DJNLSKAYSA-N 378.384 -0.190 5 20 GBBD CCC(CC)(NC(=O)C1CN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1)C(N)=O 565196830 UGDVYXXVNYAXAK-UHFFFAOYSA-N 392.416 0.264 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[C@]1(O)CCOC1 593811974 FTLHDXNDTOIDRF-HNNXBMFYSA-N 387.414 -0.079 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n1 599256989 CTRAUSTUVKSRLQ-IUCAKERBSA-N 381.436 -0.676 5 20 GBBD NC(=O)c1cccnc1N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 737764316 KTZPUPGABSMERC-UHFFFAOYSA-N 396.371 -0.010 5 20 GBBD O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 750107661 SGAAFLWBDIZSEN-HRCADAONSA-N 385.442 -0.284 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 853669863 UXUDEGWTJQVJSE-UHFFFAOYSA-N 379.424 -0.939 5 20 GBBD COCCN1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1=O 1117890466 ORQQEMFUJWBSDR-UHFFFAOYSA-N 378.385 -0.130 5 20 GBBD C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CCN1S(C)(=O)=O 1591773919 OKFCUSUMZVHXIY-QMMMGPOBSA-N 382.406 -0.173 5 20 GBBD O=C(Cn1nccn1)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1781421637 QHYHRWVCPXVYHE-INIZCTEOSA-N 389.372 -0.342 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783479337 FFULNYLQCOUBRM-MEDUHNTESA-N 379.373 -0.060 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794274010 DGWNPDMMARZLEK-RVMXOQNASA-N 392.416 -0.059 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2)c1nc[nH]c1[N+](=O)[O-] 1796402549 WADVISGTXWQYAA-JGPRNRPPSA-N 375.345 -0.442 5 20 GBBD O=C(/C=C\C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1)NC1CC1 1843389950 WMQQHUANGLKZON-PLNGDYQASA-N 388.384 -0.030 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 264650766 ILKGMJJGSMVAGR-UHFFFAOYSA-N 388.354 -0.214 5 20 GBBD CN1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O 265846401 YJXOGZNCKNLMFZ-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1O 269123107 JTQMVCQKGYDMJC-AAEUAGOBSA-N 385.398 -0.472 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] 272994701 WPSBSOVAJLXTMT-UHFFFAOYSA-N 388.402 -0.014 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1C(=O)CCC1=O 276225115 NNJPTGLBXACUBU-UHFFFAOYSA-N 385.354 -0.191 5 20 GBBD CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 277236941 UFCUYNIUQXIYDH-UHFFFAOYSA-N 384.411 -0.155 5 20 GBBD Cc1cc(OCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1[N+](=O)[O-] 435613932 CLBOXZDLYPBQKL-UHFFFAOYSA-N 389.372 -0.360 5 20 GBBD COC(=O)Cn1cc(CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)nn1 441871923 UENDMIBTGRARCS-UHFFFAOYSA-N 385.358 -0.154 5 20 GBBD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 489918238 ZYPGBMXUOSREJV-GFCCVEGCSA-N 379.421 -0.214 5 20 GBBD NS(=O)(=O)CCCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 504402763 DKLGDCLSWLJMJR-UHFFFAOYSA-N 386.386 -0.495 5 20 GBBD C[C@@]1(c2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)NC(=O)NC1=O 567891453 GHQANUPULDCPMH-YOEHRIQHSA-N 388.384 -0.003 5 20 GBBD Nc1nccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1[N+](=O)[O-] 578452042 XQVDKVMPAWLDQK-UHFFFAOYSA-N 392.397 0.114 5 20 GBBD CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-] 593313135 YGFDTRFYUSFOEC-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD CSCC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O 600263364 TVPKPVALASLTSO-VIFPVBQESA-N 390.443 -0.404 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])n1 611106251 VLSCYADHULUPET-VIFPVBQESA-N 381.436 -0.487 5 20 GBBD O=C1CN(C(=O)COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1 804170810 BJOPSDMPLWPLAH-UHFFFAOYSA-N 378.297 -0.996 5 20 GBBD O=C(NCC(=O)N1CCNCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 818561977 NEYXWESDPDBBHM-UHFFFAOYSA-N 377.401 -0.407 5 20 GBBD CCCNC(=O)C1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1347106118 UODTVCFHKGGKTN-UHFFFAOYSA-N 380.405 -0.328 5 20 GBBD CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(CC(=O)NCc2cnn[nH]2)CC1 1575980860 ZDFQKGZTLIBFHG-CHWSQXEVSA-N 379.421 -0.696 5 20 GBBD C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1589997307 WNJDBGVWHKVIJD-SCZZXKLOSA-N 384.374 -0.455 5 20 GBBD CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591012712 WGLCXSWFBIRJFY-ZDUSSCGKSA-N 385.406 -0.634 5 20 GBBD Cn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383393 OTIKPSQSVYGGGI-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403730 RFYICLTXMKYZJC-NOHGZBONSA-N 381.389 -0.462 5 20 GBBD C[C@H](NC=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800090519 PDEHOTQAVCUELH-RVMXOQNASA-N 378.389 -0.436 5 20 GBBD CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)C1 1801555724 ZYVQZGPODDYBOB-JJLQDPRZSA-N 378.385 -0.047 5 20 GBBD C/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839814689 DBBQAJHOXNIGPB-KZSQQDEKSA-N 379.373 -0.036 5 20 GBBD CC[C@H]1C(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264440178 NVLPEAVKYRIGNU-LBPRGKRZSA-N 399.429 -0.219 5 20 GBBD COC(=O)[C@@]1(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCOC1 267979530 FNZZYEZUBLVNCC-MRXNPFEDSA-N 377.309 -0.361 5 20 GBBD C[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCN1S(C)(=O)=O 271936607 YAPGZELMVQQCNY-VIFPVBQESA-N 378.432 -0.288 5 20 GBBD COc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)ccc1[N+](=O)[O-] 275170808 VJSWCXIFRZVTBB-GZMMTYOYSA-N 387.370 -0.057 5 20 GBBD COCC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280931695 AOGBZFZPZCQKPJ-LLVKDONJSA-N 390.418 -0.430 5 20 GBBD COC(=O)[C@H](CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)OC 293448416 RRSDIUUOTYPVCI-ZDUSSCGKSA-N 397.340 -0.001 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 294797731 VUPKINPGZPVYGC-UHFFFAOYSA-N 384.374 -0.790 5 20 GBBD CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 422108374 ULXIMBNRXFLJEE-CQSZACIVSA-N 389.412 -0.020 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CC(O)(C(F)F)C2)c([N+](=O)[O-])c1 425009777 LOEMBJVJTRIEOU-UHFFFAOYSA-N 394.356 -0.117 5 20 GBBD COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])nn2C)cc1S(N)(=O)=O 477916422 FCIJEIFXBZFTOW-UHFFFAOYSA-N 383.386 -0.043 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1nnn(C)n1 486773918 NARKTRMEKVQNLR-MRVPVSSYSA-N 383.390 -0.121 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNS(=O)(=O)N2CCOCC2)cc1 542757894 MEJFXZFBGZNVSF-UHFFFAOYSA-N 379.416 -0.465 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CN(C)NC3=O)cc2[N+](=O)[O-])CC1 558349128 HNQPQSMEKCHGAQ-ZDUSSCGKSA-N 390.400 -0.662 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)c(C)c([N+](=O)[O-])c1 591564353 MFNMXYLZKNRROO-GFCCVEGCSA-N 395.324 -0.060 5 20 GBBD O=C(C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O)N1CCOCC1 776278342 TUHMWMOCIYLZRD-UONOGXRCSA-N 392.368 -0.203 5 20 GBBD CN1C(=O)c2ccc(S(=O)(=O)NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2C1=O 785955894 LUFINQOBOXYCGP-UHFFFAOYSA-N 393.337 -0.478 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)c1-c1nn[nH]n1 826500158 NFXOBMPVQKFZGR-CQSZACIVSA-N 398.401 -0.158 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)CNC(C)=O 918759571 KKNWMKMJFJZFLW-UHFFFAOYSA-N 382.329 -0.663 5 20 GBBD O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)N[C@H]1CCS(=O)(=O)C1 1320434222 FAKWEVDTBAUUSY-QMMMGPOBSA-N 394.203 -0.178 5 20 GBBD O=C(N[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1329042046 QQBVQXVFBVCZMA-LLVKDONJSA-N 390.400 -0.166 5 20 GBBD O=C(c1cccnn1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779463667 YXAGYZKBWXXTIL-INIZCTEOSA-N 387.356 -0.135 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1783175739 FTPGPUKHETVGHX-MGPLVRAMSA-N 394.388 -0.714 5 20 GBBD Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792353197 HSNUXXMKSIDTGY-DDFAGTSDSA-N 390.356 -0.167 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824872 XKTPAPXTWAYBER-UHFFFAOYSA-N 392.416 -0.673 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845311328 YEUBOWBLXSWVIH-STQMWFEESA-N 390.396 -0.160 5 20 GBBD CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1845759692 JSNCHEITLOWPDI-UHFFFAOYSA-N 395.445 -0.381 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)N1CCc3c1cccc3[N+](=O)[O-])c(=O)n2C 172425895 ZUDMRZFQILMXKJ-UHFFFAOYSA-N 384.352 -0.069 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 271087232 HEBPRVCCQCRLPR-KBPBESRZSA-N 384.414 -0.098 5 20 GBBD NC(=O)OCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 273017974 BVKVADQPCBSZOJ-GFCCVEGCSA-N 386.386 -0.041 5 20 GBBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)N2CCNC(=O)C2)C1=O 281884750 GNLVZLBUXANTRD-INIZCTEOSA-N 375.341 -0.680 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 282693232 XEDAQUCBFADOBX-UHFFFAOYSA-N 385.446 -0.247 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 283925765 KGIBLMCGOUHQPU-LLVKDONJSA-N 395.391 -0.021 5 20 GBBD CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 285312655 MZSAYLPERLREKV-UHFFFAOYSA-N 382.398 -0.145 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 369861241 IUZZWZAMHNBOEW-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 372832834 WVVOAVLKXRFYTA-CYBMUJFWSA-N 389.434 -0.310 5 20 GBBD C[C@]1(C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)NC(=O)NC1=O 426974380 WSLPRUAKFFEJOL-OAHLLOKOSA-N 379.377 -0.189 5 20 GBBD CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 497894754 FSKLJHXMLVTDMX-ZDUSSCGKSA-N 391.428 -0.007 5 20 GBBD O=C(C(=O)N1CC[C@H]2CCN[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591572991 ZDLIAFSPJRNYDA-HIFRSBDPSA-N 388.428 -0.151 5 20 GBBD COC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C2)nn1 599277370 GJCJKQQKOBRIFB-SECBINFHSA-N 399.389 -0.268 5 20 GBBD COC(=O)C[C@@H](O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600467455 NYXYBFGVIZVFEP-LLVKDONJSA-N 389.386 -0.745 5 20 GBBD CNS(=O)(=O)c1ccc(NCCN2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 603628070 VWGMDYRILSLQDR-UHFFFAOYSA-N 392.459 -0.355 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 733565933 XYCLYOPSNPGPQU-UHFFFAOYSA-N 379.281 -0.075 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)c1cnccn1 758558773 AIBVBYUISZDKLD-UHFFFAOYSA-N 391.321 -0.514 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785254542 QGJQYKRIUWQUJH-UHFFFAOYSA-N 377.317 -0.883 5 20 GBBD COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1784253879 BCOUCYORRIGNAG-INIZCTEOSA-N 396.356 -0.013 5 20 GBBD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1845918685 YUMJUZVYTZDEME-UHFFFAOYSA-N 392.391 -0.037 5 20 GBBD N[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCOCC1 262011942 OFGIFHXIVRJGPD-AWEZNQCLSA-N 386.430 -0.257 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 265111816 XHVXQVDIUVSAPJ-UHFFFAOYSA-N 380.404 -0.887 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 267625537 FAZRGRMMUDFNLE-HNNXBMFYSA-N 390.400 -0.059 5 20 GBBD COCCOCCS(=O)(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 269805612 VHXWYWYYWKUQII-UONOGXRCSA-N 378.403 -0.429 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3C[C@H](O)[C@@H](O)C3)c([N+](=O)[O-])c2)CC1 277322699 DGWWXXHHMPHGMI-GJZGRUSLSA-N 386.430 -0.927 5 20 GBBD CS(=O)(=O)NCC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 441225565 JKNSWULPRFKZLF-OCCSQVGLSA-N 375.451 -0.054 5 20 GBBD O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCN1 471160277 FBTVBDPHRXCHSI-GFCCVEGCSA-N 396.425 -0.046 5 20 GBBD O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502839852 FWKSTSALJJFPHD-KOLCDFICSA-N 386.368 -0.033 5 20 GBBD CNc1nccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1[N+](=O)[O-] 557598409 SXGMDPONNQQWEN-UHFFFAOYSA-N 389.459 0.140 5 20 GBBD NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826389701 GCPZIJUICWTTPE-SECBINFHSA-N 381.374 -0.197 5 20 GBBD NC(=O)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)o1 826393193 GXNRMZNSYHCJHO-UHFFFAOYSA-N 393.341 -0.055 5 20 GBBD O=C(Cn1ncc([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 863374482 AKFQYVYQIQHSIN-UHFFFAOYSA-N 396.385 -0.154 5 20 GBBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1318263092 UZBAQELLSHURCM-HUUCEWRRSA-N 398.441 -0.448 5 20 GBBD Cn1cnc(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)n1 1606260516 MXNCEKBRQFAGMS-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD O=C1NC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])o2)O1 1792352714 IGENNWXEZNSWOH-PKCZLINISA-N 394.340 -0.501 5 20 GBBD CNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793498161 VJGQZIXPCNFHLU-ZSBIGDGJSA-N 378.389 -0.434 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1793999907 DOIUPSQESVFAKQ-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1ccno1 1794737443 LPEBUROKDPVCOQ-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795547773 GKVGEQLQGPZQIV-KHQUWSPVSA-N 394.432 -0.106 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)[C@H]2CCOC2)C1 1846692412 OXVIODPZPMNKFC-ZDUSSCGKSA-N 390.396 -0.004 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)Cn2cnnn2)CC1 14845830 DBJCAOLMOPCWPV-UHFFFAOYSA-N 395.401 -0.577 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 69411311 AAGQLYAJGRYTGK-VIFPVBQESA-N 379.416 -0.578 5 20 GBBD COc1cc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 264539823 PVZUDUROBVHQFU-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD O=C(O)CNC(=O)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 278147899 ARTRZSXNYQLJHH-UHFFFAOYSA-N 389.342 -0.765 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCS(=O)(=O)CC1 278732688 JDOIEGHKIOIIBV-UHFFFAOYSA-N 391.427 -0.192 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 294517887 KUBRKBINLRWHSJ-KBPBESRZSA-N 376.369 -0.088 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@]2(O)CCOC2)CC1 413035297 NXNZLJUNJDKRLH-INIZCTEOSA-N 399.425 -0.112 5 20 GBBD Cn1cc(C[C@H](O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 468865958 HWESPORMMZKRAH-AWEZNQCLSA-N 397.413 -0.674 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 472547140 ZEJNSGWTZSZXGA-UHFFFAOYSA-N 381.364 -0.001 5 20 GBBD CCNC(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 508531454 ZQPFQKRGBYNXHN-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD CC(C)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 520010292 ATAMEHCTXWGPSM-UHFFFAOYSA-N 393.443 -0.188 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])CC1 543765856 SDIYRIWGJSCXLT-CYBMUJFWSA-N 392.416 -0.192 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)O)c([N+](=O)[O-])c1 548258319 YULSEOIQMBVQBH-VCGICTTQSA-N 378.384 -0.190 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O 551042606 PCYOZBQRMUYYRE-QLFBSQMISA-N 399.448 -0.529 5 20 GBBD CC(=O)NCCN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 567474877 VEBMJDOUBQLLEX-UHFFFAOYSA-N 387.418 -0.361 5 20 GBBD CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](CN)C1 567829672 FFUKMJFRIYUSKD-CYBMUJFWSA-N 385.446 -0.683 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 782974135 ULSSFQJYQMGRGX-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 824091594 KFVDERAJMLOMQA-MRXNPFEDSA-N 380.401 -0.465 5 20 GBBD COC(=O)N(C)CCNC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 828450453 WEZZULFBWYMUGZ-UHFFFAOYSA-N 378.345 -0.098 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)[C@@H]2CCN(C)S2(=O)=O)ccc1[N+](=O)[O-] 842735483 UMMPPDIBJALECQ-NSHDSACASA-N 393.399 -0.558 5 20 GBBD CCS(=O)(=O)CCN(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1322921462 FDLMGWIXBFIUKK-UHFFFAOYSA-N 387.414 -0.017 5 20 GBBD CN(C)C(=O)CC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1323666554 FEZQRGFYKBLZGO-UHFFFAOYSA-N 380.405 -0.376 5 20 GBBD COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419265 OVBQKPZLTZFIFL-MRXNPFEDSA-N 395.372 -0.278 5 20 GBBD COc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CN)CCO3)C2)ccc1[N+](=O)[O-] 1781191733 NMVIXKKAPYPDDP-SFHVURJKSA-N 392.412 -0.066 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781937413 UMOBZMVGIYCLAD-YOEHRIQHSA-N 393.400 -0.970 5 20 GBBD CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1845237255 POIHCIFUMLQLJT-ZDUSSCGKSA-N 390.400 -0.385 5 20 GBBD CN1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1=O 265844469 XTXGBABMKPLZBP-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 268238900 HBPJYMUFPNCWLX-UHFFFAOYSA-N 375.359 -0.358 5 20 GBBD CNC(=O)Cn1cc(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])cn1 269507498 PIOSSNWSDAZUHC-UHFFFAOYSA-N 389.372 -0.296 5 20 GBBD COCCN1CC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 272130472 KKPODVZFKDTWKN-UHFFFAOYSA-N 386.386 -0.216 5 20 GBBD CC(C)(CC(N)=O)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 273510293 ROYUGLFDQZJWGM-UHFFFAOYSA-N 387.418 -0.186 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3C[C@H](O)[C@H](O)C3)c([N+](=O)[O-])c2)CC1 277322695 DGWWXXHHMPHGMI-GASCZTMLSA-N 386.430 -0.927 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 297795736 IQILOWXDZPSCOR-UHFFFAOYSA-N 398.441 -0.254 5 20 GBBD C[C@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 376873020 WTRWUUNZCJLRJH-WZRBSPASSA-N 387.414 -0.394 5 20 GBBD COC(=O)Cn1cc(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nn1 441984272 VHZJGOSTSUURSX-JTQLQIEISA-N 390.356 -0.206 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)O1 470808516 QCUPJYDNJXWIGE-MXWKQRLJSA-N 380.357 -0.059 5 20 GBBD COC(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 480429266 STMQITYMQBPVHQ-UHFFFAOYSA-N 393.400 -0.289 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(=O)O 594541554 BKUPQNWZROYQPL-SECBINFHSA-N 398.397 -0.222 5 20 GBBD COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 594825365 ZPMOXNATLOMMOY-ISVAXAHUSA-N 388.354 -0.025 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H](CO)CN1CCOCC1 597618394 UPYXVZTVIASYOV-NSHDSACASA-N 392.368 -1.000 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1 599256987 CTRAUSTUVKSRLQ-BDAKNGLRSA-N 381.436 -0.676 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 737864498 YIJRBLNOSYSARI-UHFFFAOYSA-N 392.357 -0.133 5 20 GBBD Cn1c(COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc(=O)n(C)c1=O 747685969 ODPWTBWAOPFBDL-UHFFFAOYSA-N 386.324 -0.070 5 20 GBBD C[C@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 788531184 UZQJQWDOCCDLKI-ZWNOBZJWSA-N 398.397 -0.075 5 20 GBBD CNC(=O)[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 795157000 JAQQFZKSKSJSKT-ZETCQYMHSA-N 382.192 -0.258 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 1321470917 LBQBSWJKDXWZTA-OAHLLOKOSA-N 394.432 -0.333 5 20 GBBD O=C(NCCCN1C(=O)CCC1=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1328761681 WAWSPDBXOZEZEF-UHFFFAOYSA-N 376.369 -0.091 5 20 GBBD O=C(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1)N1CCCC1 1582112154 RXCGYXWQWHVAFZ-UHFFFAOYSA-N 381.374 -0.324 5 20 GBBD NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782182401 RCCRTQBOFADMHT-KRWDZBQOSA-N 388.384 -0.127 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011013 RGVAQJNEAIAMFX-IJBDUVHLSA-N 391.344 -0.736 5 20 GBBD CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1835205850 KILSMQFMAOBGNH-KRWDZBQOSA-N 394.384 -0.767 5 20 GBBD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413892 ZZCAWAXWEJXDNQ-KRWDZBQOSA-N 394.384 -0.671 5 20 GBBD C[C@@H](CN)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824275 WRVRCJOLSRFVDJ-LBPRGKRZSA-N 377.401 -0.445 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 270806279 BMJMCCNRZXVKPM-SNVBAGLBSA-N 396.425 -0.163 5 20 GBBD NC(=O)NC1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 271003014 YPPGSYYAUMHOCB-UHFFFAOYSA-N 397.413 -0.371 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 272922425 TWDPNCVJUGYRAQ-ZDUSSCGKSA-N 380.357 -0.693 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)C(=O)OC 273652369 GTUXJRIAPPDFRK-SNVBAGLBSA-N 390.326 -0.324 5 20 GBBD Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc([N+](=O)[O-])c1 276560821 ZPLLZYRPIAFZBV-GJZGRUSLSA-N 383.426 -0.181 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 277247371 ZDMMTHGEFBKTKV-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 444964475 YXWKJCHGALVUQD-UHFFFAOYSA-N 388.402 -0.181 5 20 GBBD COC(=O)c1cnc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c([N+](=O)[O-])c1 477741634 PFQITPXKQDHXDG-UHFFFAOYSA-N 397.373 -0.595 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 487759405 MKRAXSYRKDMZPI-NSHDSACASA-N 377.309 -0.409 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N[C@@H]1CCS(=O)(=O)C1 524096204 JEYGRAVKWAETOB-SECBINFHSA-N 399.381 -0.002 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 534100145 VOFRYJODQIHLHI-BPLDGKMQSA-N 388.446 -0.180 5 20 GBBD Cn1[nH]cnc1=NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 553031664 XVEXTFZYYZLDGA-UHFFFAOYSA-N 383.390 -0.218 5 20 GBBD COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 570521732 YSLUXYXEAAARCS-SNVBAGLBSA-N 386.386 -0.308 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 576071949 OWJZDBRCQSDJLV-LBPRGKRZSA-N 388.450 -0.042 5 20 GBBD COc1ccccc1CCNC(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599295703 CFUNIQGFZJLBDC-UHFFFAOYSA-N 397.413 -0.026 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCN1 599910816 VHOZRGIXDVIPEU-LLVKDONJSA-N 387.418 -0.839 5 20 GBBD CCN(C(=O)[C@H](C)OC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 913301715 WWRRZQYLJBFBKQ-QWRGUYRKSA-N 388.402 -0.241 5 20 GBBD O=C(N[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1262492729 OBHQOYUFUHXFSY-GFCCVEGCSA-N 396.425 -0.453 5 20 GBBD CCOC(=O)N1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1323669795 SLWYOZHNPKGGDP-UHFFFAOYSA-N 382.377 -0.402 5 20 GBBD CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)C1 1347104153 GBTOBLHYZVTIHY-CQSZACIVSA-N 393.448 -0.854 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1593471663 SOKFVHZPGIKEOL-ZDUSSCGKSA-N 381.374 -0.436 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783479338 FFULNYLQCOUBRM-ZBEGNZNMSA-N 379.373 -0.060 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnsn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401719 GHXKUYROIBCSJK-DIYOJNKTSA-N 393.385 -0.314 5 20 GBBD O=C(c1cc(O)nc(O)n1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389154 PQDKEHVZXQWRBX-UHFFFAOYSA-N 389.328 -0.350 5 20 GBBD O=C([C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262618208 HHMBDNPXNNCRAL-CYBMUJFWSA-N 384.414 -0.584 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 283663657 ZJKQWKADFASTPW-UHFFFAOYSA-N 394.431 -0.626 5 20 GBBD CCOC(=O)c1cc(C(=O)NCCOCCS(N)(=O)=O)cc([N+](=O)[O-])c1 288151936 GTCHDPSWDIZWIA-UHFFFAOYSA-N 389.386 -0.194 5 20 GBBD NC1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 420098848 XJWJPOXPIWYOOX-UHFFFAOYSA-N 389.412 -0.123 5 20 GBBD CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 441225561 JKNSWULPRFKZLF-GXTWGEPZSA-N 375.451 -0.054 5 20 GBBD COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 549458002 QPZIMEWEYFIXDL-VIFPVBQESA-N 375.359 -0.513 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 591575327 YWVYTJTWILWWSX-BBRMVZONSA-N 391.428 -0.182 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(n2cnnn2)CC1 597788051 IZGMEANHWSCRCE-UHFFFAOYSA-N 395.401 -0.493 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 600228225 CPSWFJIRHGOCMW-ZDUSSCGKSA-N 389.372 -0.055 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 782882248 MJHNHNRANVVGNN-NSHDSACASA-N 384.414 -0.096 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)O)c([N+](=O)[O-])n1 833681588 HCVUMMNMNXWKMC-IUCAKERBSA-N 390.374 -0.162 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN(C)S(C)(=O)=O 914923232 DABOVVHANBGNJY-UHFFFAOYSA-N 375.359 -0.024 5 20 GBBD Cn1c(N2CCc3ccc([N+](=O)[O-])cc3C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592555930 VEJFWOKFKIMCND-UHFFFAOYSA-N 384.356 -0.265 5 20 GBBD CC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795141200 FYJYTCJNWJVPRL-PTEHBNRSSA-N 379.373 -0.110 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cccnn1 1798056167 OATZMNXUYPETKW-DDFAGTSDSA-N 387.356 -0.375 5 20 GBBD NC(=O)CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 264640742 VPVLCGKZUSEHPM-UHFFFAOYSA-N 390.444 -0.654 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 283414758 BAPMQBNPZGGENP-UHFFFAOYSA-N 378.432 -0.326 5 20 GBBD CN(C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)[C@@H]1COC[C@H]1O 288836091 DGKPGVBQFOHKHV-VXGBXAGGSA-N 381.341 -0.087 5 20 GBBD NC(=O)[C@H]1CCCN(C(=O)CN2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 459496876 QKWCWYZBAMXAIT-ZDUSSCGKSA-N 376.417 -0.164 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CS(=O)(=O)CCO1 507967573 QBCFIVHDVCZXBA-JTQLQIEISA-N 380.400 -0.305 5 20 GBBD COCCN(C)CCN1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1=O 588882133 KBIIVRPPCMMPSL-ZDUSSCGKSA-N 395.416 -0.948 5 20 GBBD CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593595934 LKIQHJJWBRXBND-SNVBAGLBSA-N 393.447 -0.461 5 20 GBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O 611661223 OHQFNZYWTPXUPN-RFHZTLPTSA-N 399.425 -0.442 5 20 GBBD O=C(N[C@@H]1C[C@H]1CO)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 619561959 FNLIHEXHUQFGKZ-KQXIARHKSA-N 385.398 -0.784 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)COc2ccccc2[N+](=O)[O-])CC1 813943881 HJHGVLKEPXXPSN-UHFFFAOYSA-N 386.386 -0.501 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 826327916 ZMORYEUNWXOKOA-UHFFFAOYSA-N 389.380 -0.324 5 20 GBBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1318263086 UZBAQELLSHURCM-CABCVRRESA-N 398.441 -0.448 5 20 GBBD O=C(c1ccc(O)nc1)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1341051976 MTTJGVDKVPHPAN-AWEZNQCLSA-N 376.373 -0.289 5 20 GBBD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN)C[C@@H]32)ncc1[N+](=O)[O-] 1787639442 YXOPNYKOVNOSCK-HUBLWGQQSA-N 377.401 -0.150 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2)C(O)O 1792801928 YCIQINGJYHQTHJ-QHBPRCKVSA-N 397.359 -0.823 5 20 GBBD O=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]cc2[N+](=O)[O-])CN1 1798689471 BKYFCUKNKJCAOW-CHWFTXMASA-N 376.373 -0.294 5 20 GBBD CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798747486 ARPRIKCVKVJNCH-DRXBFXEBSA-N 393.400 -0.348 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@@H]1CCCOC1 1802073446 NYMUHPLOQLZDEH-NRWUCQMLSA-N 393.400 -0.052 5 20 GBBD C[C@H](NC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 268887077 GSGQWTFWCBCTKK-VIFPVBQESA-N 399.381 -0.332 5 20 GBBD C[C@]1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 272853688 RBGOKYQNYOFCQQ-FFSVYQOJSA-N 399.425 -0.298 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 276194036 IHOKLXAPLBTQSB-KOLCDFICSA-N 387.370 -0.307 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 281375499 DZYVPCFRMUYVJF-QMMMGPOBSA-N 386.342 -0.710 5 20 GBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC1(OCCO)CCOCC1 282296348 ZNMVXDNAERYMDM-UHFFFAOYSA-N 381.385 -0.001 5 20 GBBD Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cc([N+](=O)[O-])[nH]n3)CC2)cn1 285522491 DYDWFLMUROBWMK-UHFFFAOYSA-N 383.390 -0.366 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)CN1CCOCC1 298289695 BWNBDPXDSJPOQD-DOMZBBRYSA-N 380.401 -0.478 5 20 GBBD NC(=O)C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 376696937 RQJWIZDJCCTNRZ-LLVKDONJSA-N 399.429 -0.220 5 20 GBBD CNS(=O)(=O)c1ccc(NCc2cn(CC(=O)OC)nn2)c([N+](=O)[O-])c1 441927151 QDGXTLSNVXAVQQ-UHFFFAOYSA-N 384.374 -0.121 5 20 GBBD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 492277701 SQNYXOBGCIOAKR-UHFFFAOYSA-N 396.385 -0.546 5 20 GBBD O=C(C(=O)N1CC[C@H]2CNC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 515634390 HNHJUMXTWZLJHY-KBPBESRZSA-N 388.428 -0.294 5 20 GBBD Nc1nccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] 565194481 LLQREXWDTYBXAN-LLVKDONJSA-N 399.429 -0.161 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CCO1 583773294 RFLDCNYLICLSLS-AWEZNQCLSA-N 378.385 -0.117 5 20 GBBD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)C1 593274024 GCPHZGANSXJGSU-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD CNc1nccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1[N+](=O)[O-] 594299899 YFFFAIQOWKYUQV-CYBMUJFWSA-N 378.433 0.168 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 598030291 UEXIBLVLTKHZPG-ONGXEEELSA-N 397.365 -0.881 5 20 GBBD Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 600426452 QNAHEWSCTHMYCT-LDYMZIIASA-N 391.427 -0.144 5 20 GBBD NC(=O)[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1I 618924501 YOYNTPYQYSTWGX-QMMMGPOBSA-N 379.110 -0.225 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 619500416 VDJVDKVRTKNTRU-CQSZACIVSA-N 384.370 -0.034 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O 841542662 JXPBMHURRFKQGR-UHFFFAOYSA-N 394.768 -0.295 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 846657155 WVTYSQGCYGOUCN-UHFFFAOYSA-N 389.390 -0.052 5 20 GBBD C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261165350 PPMJKXZEVLEPBI-GFCCVEGCSA-N 382.421 -0.789 5 20 GBBD Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1592554705 FTGQALKLRXZPGG-UHFFFAOYSA-N 399.419 -0.074 5 20 GBBD N=C(N)SCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378580 FBWGTZZNCWVQPJ-AWEZNQCLSA-N 397.417 -0.612 5 20 GBBD NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 1817071119 KMSCCXBVQSDRAC-RQJHMYQMSA-N 394.417 -0.714 5 20 GBBD CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1834934651 AYLILYNCIQUKKP-QGZVFWFLSA-N 396.400 -0.181 5 20 GBBD C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCNC1=O 21664875 YEJIFVYKLWIGFP-MRVPVSSYSA-N 390.308 -0.326 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 67275649 QMAZWCLQUMQDKW-UHFFFAOYSA-N 377.313 -0.036 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 274932831 PKWZLDWNEHIZJL-SNVBAGLBSA-N 396.374 -0.305 5 20 GBBD COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 275101184 LOEOQKNVKMPOKR-JTQLQIEISA-N 394.383 -0.524 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1[N+](=O)[O-] 416453811 HCYRRSMCKQRNFB-UHFFFAOYSA-N 386.386 -0.909 5 20 GBBD O=C(O)[C@H]1Cn2c(O)nnc2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 424394454 TZOJLXUQZBEJFS-MRVPVSSYSA-N 387.305 -0.311 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 468642004 OCSAZJOPIKCKOK-JTQLQIEISA-N 398.759 -0.522 5 20 GBBD O=C(CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCNCC1 575027521 ZOWUZESLQYUKKK-UHFFFAOYSA-N 376.417 -0.142 5 20 GBBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)C(N)=O 590537131 AQLKIGHJGQCWAZ-VXGBXAGGSA-N 384.414 -0.591 5 20 GBBD O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 593598320 JTSSPZZGZSBGRM-UHFFFAOYSA-N 398.376 -0.072 5 20 GBBD CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 734971196 AOSPAQKUZNFZJP-UHFFFAOYSA-N 388.383 -0.300 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@@H]2COC(=O)O2)cc1[N+](=O)[O-] 763844280 ZXLRCAKIDCMQGY-MRVPVSSYSA-N 389.342 -0.007 5 20 GBBD CCS(=O)(=O)N1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 856726431 GKXZIEFLEHRTDT-UHFFFAOYSA-N 386.434 -0.307 5 20 GBBD O=C(NCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1)Nc1cccc([N+](=O)[O-])c1 857710228 WOAXJMRGZLKNEY-LLVKDONJSA-N 376.333 -0.171 5 20 GBBD CC(C)(CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)NS(C)(=O)=O 1117355339 VTBXRLWNUMZKBP-UHFFFAOYSA-N 384.414 -0.119 5 20 GBBD O=C(NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc(-c2nn[nH]n2)c[nH]1 1582452311 ZLMPBYXRIRSTOX-DGCLKSJQSA-N 388.388 -0.172 5 20 GBBD COC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793439321 PWKJTFCDLIIEGO-JFILPPLUSA-N 395.416 -0.337 5 20 GBBD CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840208770 WBMYJYMBBGQYFY-MEDUHNTESA-N 397.388 -0.577 5 20 GBBD COCCNCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 261972311 DRNFDQHCBOEZKM-UHFFFAOYSA-N 386.430 -0.336 5 20 GBBD CC(C)NS(=O)(=O)NCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 277186222 ODLQPAJYPNZHPA-UHFFFAOYSA-N 394.475 -0.111 5 20 GBBD CC(=O)N1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 298742539 CCIHUIGRIQEALM-UHFFFAOYSA-N 377.401 -0.395 5 20 GBBD NC(=O)[C@H]1CCCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299712753 JBWAROBVEMSCGJ-GFCCVEGCSA-N 399.429 -0.089 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC(=O)N1C 459850262 RBCZBFYBMNJWQL-CYBMUJFWSA-N 389.412 -0.068 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccn(CCC(N)=O)n1 469550523 WOUSGMAFECYJIJ-JTQLQIEISA-N 378.393 0.538 5 20 GBBD CC(C)NS(=O)(=O)NCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 516645744 OVKUQGZASMDORC-UHFFFAOYSA-N 394.475 -0.210 5 20 GBBD C[C@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1 542609440 JTAKZGHREHVHRY-QWRGUYRKSA-N 384.414 -0.096 5 20 GBBD N[C@H]1C[C@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O 573698859 FNTLWUZMHLOJDH-UWVGGRQHSA-N 377.357 -0.494 5 20 GBBD COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 581296390 BMQRXGUZGWLNRV-AWEZNQCLSA-N 393.400 -0.488 5 20 GBBD COCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1 582184603 FWGBMYKZVAPISU-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])CC1 584176672 RQMXDPGOIVIHGW-UHFFFAOYSA-N 393.399 -0.441 5 20 GBBD CON(C)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 776565226 YZIYCAGKAZHBAY-UHFFFAOYSA-N 375.407 -0.346 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 801817045 IVSZLUMVUNMWTN-MRVPVSSYSA-N 388.377 -0.261 5 20 GBBD O=C(NCCNc1ncccc1-c1nn[nH]n1)NCCn1cc([N+](=O)[O-])cn1 823206116 KDRXTUAEISQKQK-UHFFFAOYSA-N 387.364 -0.222 5 20 GBBD CC(C)[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCN(C)CC1 1327418057 XKZMIKNXOUDCJB-HNNXBMFYSA-N 395.464 -0.704 5 20 GBBD CC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401984 UUROQFUUVOUUPJ-PTEHBNRSSA-N 379.373 -0.110 5 20 GBBD C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCOCC1 62885727 GGTVRVVVHJFASS-JTQLQIEISA-N 390.352 -0.446 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cn1C 122694379 QOCCVDOECLVMRQ-UHFFFAOYSA-N 383.434 -0.160 5 20 GBBD CN(C)c1cc(F)c(C(=O)NCCNS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 297230241 YHTAPRQHRKBEAO-UHFFFAOYSA-N 377.398 -0.074 5 20 GBBD C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 470367835 UBOYAHFCASRHSV-WCQYABFASA-N 387.414 -0.177 5 20 GBBD CN1C(=O)CO[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cnn(C)c1 471058254 XVSQMWGNRFJUMO-UONOGXRCSA-N 377.361 -0.761 5 20 GBBD C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 511833665 IBMZENHHADFVNW-ZDUSSCGKSA-N 379.421 -0.269 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(c3nc(N)ns3)CC2)c([N+](=O)[O-])n1 533174949 SGZOCILIMIEHSG-UHFFFAOYSA-N 388.435 -0.244 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O 578905639 DWILVPUMSAYUBY-VXGBXAGGSA-N 376.369 -0.321 5 20 GBBD C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-])C(=O)N1CCOCC1 593308874 FDQIHVAKAKGXBM-VIFPVBQESA-N 387.370 -0.181 5 20 GBBD CCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1[N+](=O)[O-] 597562884 MLLCXIFYDVUGKA-UHFFFAOYSA-N 383.390 -0.250 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 598027663 LWDDXVRCZAMOBK-NWDGAFQWSA-N 392.411 -0.460 5 20 GBBD CCN1C(=O)[C@H]2CN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CCN2C1=O 610588937 IRNVFISMNFXUNJ-GFCCVEGCSA-N 383.386 -0.285 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C[C@H]12 778852651 FFWXOPNACZNQOI-CQSZACIVSA-N 389.368 -0.192 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 800551359 BFKSCGBSLOEECF-UHFFFAOYSA-N 381.370 -0.024 5 20 GBBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1)C(O)O 1814708913 CSRWPVFDQJHFMC-QMMMGPOBSA-N 379.333 -0.342 5 20 GBBD CCC[C@@H](NC(N)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66345493 QDYKFZDUMWIHPP-GFCCVEGCSA-N 387.418 -0.174 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](N1CCNCC1)C(F)(F)F 261675627 AIRGJPUPGIRESM-LLVKDONJSA-N 377.323 -0.291 5 20 GBBD Cc1nn(CCC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c(C)c1[N+](=O)[O-] 263980091 KEGFCCTVBYEXHK-UHFFFAOYSA-N 394.432 -0.006 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 264200638 QIMDHWZDPMHANV-GJZGRUSLSA-N 399.425 -0.412 5 20 GBBD COc1cc(C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)cc([N+](=O)[O-])c1OC 276630166 XBNNJAROCAZELT-GFCCVEGCSA-N 396.400 -0.130 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])nn1 284121581 CJUSHLXSWSEOAH-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 299550225 CAAPOOVGPLBFCS-CABCVRRESA-N 383.426 -0.249 5 20 GBBD CCNC(=O)[C@H](C)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299628875 KUEPLNGKRFZBTH-VIFPVBQESA-N 387.418 -0.315 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)N1 423601839 ZWIXFHYEPIZTLO-STQMWFEESA-N 376.417 -0.153 5 20 GBBD O=C(O)[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O 424365109 GIMHSPGORIBUFN-LBPRGKRZSA-N 392.411 -0.349 5 20 GBBD CN1C[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 450619521 XKCDNQQTUQKMSK-CHWSQXEVSA-N 397.413 -0.791 5 20 GBBD CCN1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1=O 460017168 NBCIBMKHFKKEGJ-UHFFFAOYSA-N 389.412 -0.066 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 498777237 ZWMPFGRDBUVCFN-VXGBXAGGSA-N 382.421 -0.121 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 521135714 OKRXWKGJBMCFPY-CYBMUJFWSA-N 379.417 -0.062 5 20 GBBD O=C1CN(CCNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 543688714 IMRMXBAMDHTARB-UHFFFAOYSA-N 399.429 -0.901 5 20 GBBD Nc1c(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] 544366191 YJHDOVSFKKMLEH-UHFFFAOYSA-N 381.374 -0.558 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)cc1[N+](=O)[O-] 596658830 WUFXIYKWPYPSCR-NSHDSACASA-N 398.397 -0.675 5 20 GBBD CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826060948 XGTARZNCZVLTEX-VIFPVBQESA-N 381.374 -0.326 5 20 GBBD NC(=O)[C@@]1(NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CCOC1 848318944 QVQKILCJCZJDBU-CQSZACIVSA-N 384.295 -0.206 5 20 GBBD CO[C@@]1(CO)CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1591343008 NKVCFJBQMAHMNK-AWEZNQCLSA-N 398.401 -0.063 5 20 GBBD O=C(O)[C@H]1CC(=O)N(C2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)C1 1594895421 GIBDQBFRDWBKBO-NSHDSACASA-N 392.368 -0.319 5 20 GBBD NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1800516155 JLXVPSMZGWNRQJ-KEODLESXSA-N 380.357 -0.344 5 20 GBBD N=C(N)NCC(=O)N1CCCC2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 1809688646 URNVTDKOZNODNV-UHFFFAOYSA-N 392.420 -0.354 5 20 GBBD Nc1nc(N2CCCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)ncc1[N+](=O)[O-] 263936920 CYJZGUONNVZDTL-UHFFFAOYSA-N 376.337 -0.036 5 20 GBBD CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 265924193 HNDPEMASSXUORH-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 271701848 HPEMQKOGCFKEPY-SNVBAGLBSA-N 378.432 -0.211 5 20 GBBD Cc1c(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cccc1[N+](=O)[O-] 275982285 HPXOYJBVEFFSSX-CYBMUJFWSA-N 380.401 -0.007 5 20 GBBD Cc1ccc(C)c(S(=O)(=O)NCCOCCS(N)(=O)=O)c1[N+](=O)[O-] 288841808 DGEUVOWZUBRPMN-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H]1CO 368834579 NGOGTTYCRODKCA-NEPJUHHUSA-N 388.402 -0.990 5 20 GBBD C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)NCCCN(C)C)cc1[N+](=O)[O-] 413459012 XBPPWQZQKGICRX-BXUZGUMPSA-N 390.462 -0.022 5 20 GBBD Cc1sc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1[N+](=O)[O-] 424370340 SSDDGSSNRONFIV-QMMMGPOBSA-N 384.413 -0.163 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)O)C1 435698564 RTGSIYZKFAOIMB-ZLKJLUDKSA-N 394.384 -0.699 5 20 GBBD CN(CC(=O)NC1(c2nn[nH]n2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 477066949 ZFMODGPPRPEQQS-UHFFFAOYSA-N 381.374 -0.466 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1CCNC(=O)C1 495466033 CCQUOQAEEIRVGG-GFCCVEGCSA-N 381.437 -0.235 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1 516491473 OYCZCCYNDVZPGI-UHFFFAOYSA-N 394.413 -0.213 5 20 GBBD CC1=NNC(=O)[C@H]1CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523139790 LWRCTKJIURGEKM-ZDUSSCGKSA-N 397.413 -0.157 5 20 GBBD C[C@H]1CN(C(=O)Cn2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cn2)C[C@@H](C)O1 525097172 VIOLYEYCZYQAII-PHIMTYICSA-N 392.376 -0.343 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CN(C)NC3=O)cc2[N+](=O)[O-])CC1 558349127 HNQPQSMEKCHGAQ-CYBMUJFWSA-N 390.400 -0.662 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 589112532 LWRKVRGBPCUDMD-VIFPVBQESA-N 378.432 -0.064 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@](O)(CC(N)=O)C1 591674883 ZBFKTQHTRHAHAY-GTNSWQLSSA-N 378.385 -0.058 5 20 GBBD COc1ccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] 595128645 IJVPLGJBGGOQQY-SKDRFNHKSA-N 387.370 -0.530 5 20 GBBD CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2cc([N+](=O)[O-])cs2)nn1 732623008 JOEMUTZXUMKJRW-UHFFFAOYSA-N 388.387 -0.545 5 20 GBBD O=C(O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 852958941 URRASSWFEUEHMB-POYBYMJQSA-N 394.266 -0.691 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1261711635 ALQXPRONVBATTH-LBPRGKRZSA-N 378.389 -0.622 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 1332390114 DZHHWHREGANFOP-ZIAGYGMSSA-N 393.396 -0.022 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1345334058 MEGLCEVHCFEMSJ-UHFFFAOYSA-N 391.428 -0.466 5 20 GBBD COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1598733338 PMVDEZQQTGAHMG-XYHOJCAOSA-N 379.325 -0.380 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCN1CCN(C)CC1)CC(=O)O 1600720085 BAWHQBSLIOSBJH-UHFFFAOYSA-N 382.421 -0.350 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])nn1 1777131176 CJMAUHMKOOEAQK-UHFFFAOYSA-N 399.341 -0.350 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)N1 1780415971 RRFQKYNYOHASTF-SJCJKPOMSA-N 391.384 -0.355 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808364763 QUWDHSWUIPXIBB-PWSUYJOCSA-N 390.356 -0.657 5 20 GBBD CNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 265425745 SONZYJDDAJIACW-UHFFFAOYSA-N 399.429 -0.946 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCC(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-] 273104409 VGOJMQHQBOOAFP-UHFFFAOYSA-N 391.428 -0.087 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N(CCO)CCCO)c(C)c([N+](=O)[O-])c1 276849707 IUFKEARVLAOGIE-UHFFFAOYSA-N 383.357 -0.168 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 283541576 NEQSREXESGLZAJ-UHFFFAOYSA-N 378.432 -0.494 5 20 GBBD CC(C)(N)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420062575 SYFKPCIAZVPIFH-UHFFFAOYSA-N 377.401 -0.267 5 20 GBBD CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])n1 425746990 UXESNHAKRSNLJE-UHFFFAOYSA-N 390.356 0.047 5 20 GBBD CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 492675762 AUSGGRTZPARJAO-UHFFFAOYSA-N 385.446 -0.239 5 20 GBBD C[C@@]1(C[C@H]2CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)NC(=O)NC1=O 500168251 CIPCBBYFFAYLHR-BMIGLBTASA-N 379.377 -0.047 5 20 GBBD CNS(=O)(=O)c1ccc(NC[C@@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])c1 508376800 QHVBCUPIAHVKKM-SECBINFHSA-N 379.416 -0.272 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 548256660 YRKUABBIUSHPGA-NSHDSACASA-N 378.384 -0.392 5 20 GBBD COCCN(C)CCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 552624174 YNNGMTOGNDZMMS-UHFFFAOYSA-N 382.421 -0.351 5 20 GBBD NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 552832038 MTTSTMPWBJPZOS-RYUDHWBXSA-N 396.425 -0.061 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 584440608 BPDKFEFLGKUNCL-GFCCVEGCSA-N 375.341 -0.142 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 619778716 QBRITUWLZFEQRT-UHFFFAOYSA-N 396.381 -0.613 5 20 GBBD Cc1c(CC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-] 748474128 LSCLWKKUUUPYSQ-UHFFFAOYSA-N 390.352 -0.149 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785243478 PAZCMSCNFFIHET-UHFFFAOYSA-N 391.344 -0.493 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 862041905 IWTSNGXQKHCEFW-UHFFFAOYSA-N 376.778 -0.053 5 20 GBBD Cc1nc(N2CCC(N(Cc3cnn[nH]3)C(=O)C(N)=O)CC2)ccc1[N+](=O)[O-] 1577557392 DYKMBTUSWSRKDD-UHFFFAOYSA-N 388.388 -0.101 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1590749049 WWBSQTDCNMROSQ-UHFFFAOYSA-N 376.333 -0.618 5 20 GBBD CN1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 1591193633 ULHCRVPGPMDEDF-UHFFFAOYSA-N 396.433 -0.699 5 20 GBBD Cn1ncnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413435 XCVOLSMWCWTORI-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1793999455 CECFAQFGZKTNMR-BHCYSEDNSA-N 393.400 -0.848 5 20 GBBD NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794278641 QITKZEMMSRHVKM-ZSBIGDGJSA-N 378.389 -0.305 5 20 GBBD O=C(CN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840967239 MAOYLCZVCIQKEW-UHFFFAOYSA-N 388.336 -0.070 5 20 GBBD CCOCCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 263690679 OVDBZMQZHAHJPE-UHFFFAOYSA-N 381.432 -0.171 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 270939051 RVRRZRXAVPMKEL-CYBMUJFWSA-N 385.398 -0.169 5 20 GBBD O=[N+]([O-])c1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])c1 271073819 WKJTXNZGRRSIPR-KGLIPLIRSA-N 386.386 -0.217 5 20 GBBD C[C@@H](C[S@@](C)=O)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273110162 QBTVXNLJXRPASL-CCGUKBGLSA-N 392.459 -0.061 5 20 GBBD COc1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)ccc1[N+](=O)[O-] 275052412 XKJCBKYAVGWNSI-VIFPVBQESA-N 387.370 -0.185 5 20 GBBD O=C(NCCN(C(=O)c1cc([N+](=O)[O-])[nH]n1)C1CC1)c1cc([N+](=O)[O-])[nH]n1 286218127 BKKBGIKDOSBSQZ-UHFFFAOYSA-N 378.305 -0.016 5 20 GBBD O=C1CNC(=O)N1CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298287551 FTCCXQBHSUVQDF-UHFFFAOYSA-N 397.413 -0.547 5 20 GBBD COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 430198481 YRCJZZGQWKSPCM-CABCVRRESA-N 385.442 -0.121 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCn3c(O)nnc3C2)cc1[N+](=O)[O-] 438460753 OPRTXARSJLEHFN-UHFFFAOYSA-N 376.329 -0.327 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2cccnc2)CC1 511891160 YSCVHYFIESYYPE-UHFFFAOYSA-N 381.374 -0.886 5 20 GBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 552201462 NYVJIUJJALGMLY-SNVBAGLBSA-N 375.407 -0.170 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])C1 568007705 XRTQSUVFTYDYLR-SECBINFHSA-N 393.399 -0.395 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 570105751 AGXYUWZBSMVKNX-LBPRGKRZSA-N 380.400 -0.569 5 20 GBBD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])C1 593316502 PPOKMWIWDKLGDP-VIFPVBQESA-N 393.399 -0.395 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 593814551 ATURYNWSHLNZLO-CHWSQXEVSA-N 387.414 -0.177 5 20 GBBD O=C(C(=O)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 776273456 BRNHDYHMNNSQBG-INIZCTEOSA-N 392.412 -0.369 5 20 GBBD COCCNC(=O)CN1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 821691551 YNACZOUSAAADPN-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD NC(=O)[C@]1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 847053375 KLFMQKDNHLDGMT-KRWDZBQOSA-N 377.401 -0.523 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1251440876 UNAGGNVDBSVUJE-GFCCVEGCSA-N 384.414 -0.912 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCNC1=O 1325194344 SFJDDDZMVYLVNV-OAHLLOKOSA-N 389.412 -0.020 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788813603 PMFGHQXUTFCGDX-OPDFLTKYSA-N 393.400 -0.052 5 20 GBBD NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1790852299 QAKZHWQMUHTGSS-NHCYSSNCSA-N 394.388 -0.823 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)c1ccc([N+](=O)[O-])o1 1792355522 ZWCZRNKCPHEJRN-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD CN(C)C(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795899161 NCVWLGURAOWEGA-ZSBIGDGJSA-N 378.389 -0.482 5 20 GBBD CS(=O)(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 29463059 UMWUGUDGEZDWGC-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD C[C@H](C[S@@](C)=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 273130721 SYQIXPDQXQYKDO-VKTRGTBVSA-N 392.459 -0.061 5 20 GBBD CCS(=O)(=O)NCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 296730054 UTIYOSROLANVAC-UHFFFAOYSA-N 386.434 -0.239 5 20 GBBD CNC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 470649115 JNRKOSCZHMRRTC-UHFFFAOYSA-N 377.357 -0.196 5 20 GBBD COC(=O)[C@@H](CF)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 489622224 POGFRNVCLIKCNK-LLVKDONJSA-N 377.350 -0.110 5 20 GBBD NC(=O)[C@H]1CCCN1C(=O)NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 525629767 OAYCMDDIBOKOCE-SSDOTTSWSA-N 389.166 -0.260 5 20 GBBD C[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 564824745 ZWEYYROYIVLCOF-QGZVFWFLSA-N 391.384 -0.038 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 571051188 PGVFDIZUZFCGCT-JTQLQIEISA-N 380.386 -0.061 5 20 GBBD O=C(NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCCN1 580771277 BXEGLYDUIWRHOV-HNNXBMFYSA-N 389.412 -0.253 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@]1(C(=O)O)CCOC1 595998143 SQCOPXBXTXBFRX-AWEZNQCLSA-N 387.370 -0.377 5 20 GBBD NS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 599489244 TUTPUCLLRURGBR-UHFFFAOYSA-N 378.432 -0.318 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCO1 600015858 KLQDJEDPUMNHRA-NSHDSACASA-N 395.372 -0.302 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 609518028 PHSKCXXFTAPAMT-LLVKDONJSA-N 392.368 -0.167 5 20 GBBD Cn1c(=O)c2cc(C(=O)OCCn3cc([N+](=O)[O-])cn3)n(C)c2n(C)c1=O 748123725 QJKJSLAIEOBNGZ-UHFFFAOYSA-N 376.329 -0.463 5 20 GBBD CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O)NS(C)(=O)=O 833460049 UHZYTEYFOOYFMZ-UHFFFAOYSA-N 395.415 -0.101 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(=O)OC)c([N+](=O)[O-])n1 833681540 DMTNWUJNHKNNPT-BDAKNGLRSA-N 390.374 -0.162 5 20 GBBD CN(C)S(=O)(=O)N1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 914568065 RQGHPUSOKIZTKC-UHFFFAOYSA-N 397.413 -0.428 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 1261165576 VCIXNIVWOWDLJV-MLGOLLRUSA-N 381.389 -0.296 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCCn1nc2n(c1=O)CCCC2 1324267273 ODQDZHQFHNFIFN-UHFFFAOYSA-N 376.373 -0.343 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)C(=O)O)CC2)ccc1[N+](=O)[O-] 1594279970 XXQOORBJHAFZLQ-UHFFFAOYSA-N 378.341 -0.612 5 20 GBBD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)cc1[N+](=O)[O-] 1799328492 INZVJEAHCGXWFC-ZSBFGKGUSA-N 376.413 -0.006 5 20 GBBD Cn1ccc(CC(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)n1 1843055423 UFJONUPOISOYBE-UHFFFAOYSA-N 387.400 -0.029 5 20 GBBD C[C@H]1CN(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 10538563 UDNCUSLPDNKXOX-JTQLQIEISA-N 391.336 -0.019 5 20 GBBD COC(=O)c1cnc(N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 276491528 AQMLKDDXTOWKHR-UHFFFAOYSA-N 393.400 -0.243 5 20 GBBD CNS(=O)(=O)NC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 280903454 FBAAGXDKRWRNJE-CYBMUJFWSA-N 388.446 -0.147 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 298993696 RLBJEOWPOSTPDS-UHFFFAOYSA-N 391.384 -0.271 5 20 GBBD CCS(=O)(=O)C1CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 456306490 NGKOWNMVAHUKIY-UHFFFAOYSA-N 385.398 -0.021 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 533914691 YSCQZVJEXLBFCS-UHFFFAOYSA-N 392.459 -0.451 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 572029707 ZCCZWTITJODFET-KBPBESRZSA-N 391.450 -0.770 5 20 GBBD COC(=O)[C@](C)(NC(=O)c1cnn(C[C@@H](O)CO)c1)c1cccc([N+](=O)[O-])c1 600537860 PANKHFUYFRRNJU-RHSMWYFYSA-N 392.368 -0.037 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CC[C@H](O)C1 600810216 WUOOEDARAPVNMO-ZDUSSCGKSA-N 386.430 -0.554 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 603873341 SGBCZULXNSCZQA-UHFFFAOYSA-N 375.345 -0.426 5 20 GBBD COC[C@](C)(CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 613534123 JSWFAVMUVIGEIF-AWEZNQCLSA-N 375.403 -0.223 5 20 GBBD CCNS(=O)(=O)CCNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C 746243743 LJDWRPBFIAWWGQ-SNVBAGLBSA-N 376.439 -0.117 5 20 GBBD CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCO1 859279415 RDJIVYUPBZAPGH-SNVBAGLBSA-N 388.402 -0.078 5 20 GBBD O=C(C(=O)N1CCC[C@@H]1CO)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1117901308 KRDRNEITBAOOFO-CYBMUJFWSA-N 390.396 -0.138 5 20 GBBD CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1325748047 LAONSMGSZVJONO-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1326263107 DOBOVNFGHGUKGX-TZMCWYRMSA-N 377.353 -0.181 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)c1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 1609272899 GKYUAIUMPVNUSW-NSHDSACASA-N 378.393 -0.514 5 20 GBBD O=C1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C3)CN1 1801675930 OYJJFDDFYRTVKE-MMWGEVLESA-N 376.373 -0.294 5 20 GBBD CC(C)NC(=O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66889010 BAJGOXPNORDBMG-UHFFFAOYSA-N 387.418 -0.303 5 20 GBBD C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1C 282078626 BZPUFYPMELEWKO-NSHDSACASA-N 399.429 -0.255 5 20 GBBD COC(=O)[C@@H](CF)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 292586591 MFOLBFNLCMZHCG-SNVBAGLBSA-N 392.365 -0.329 5 20 GBBD Cc1cc(=O)c(C(=O)NCCNS(C)(=O)=O)nn1-c1ccccc1[N+](=O)[O-] 298197248 GOGRPIGKAMZVDO-UHFFFAOYSA-N 395.397 -0.272 5 20 GBBD CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 299327943 OTBVMWBAFZRAAZ-UHFFFAOYSA-N 391.428 -0.005 5 20 GBBD CC[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC 458393701 BLDRNIBIGFMEFZ-JTQLQIEISA-N 387.418 -0.303 5 20 GBBD NS(=O)(=O)[C@@H]1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 535888034 LBLHPUWRFOCHCP-GFCCVEGCSA-N 384.414 -0.066 5 20 GBBD Cn1ccnc(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 544645354 SPMVSUSCCZDKDA-UHFFFAOYSA-N 396.385 -0.212 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 555374369 FZKRGTMPGYOPKQ-CCGUKBGLSA-N 396.374 -0.051 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594743126 RIPBAFJKECNBFU-UHFFFAOYSA-N 385.402 -0.653 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 598734195 HETABENUFNHDDU-UHFFFAOYSA-N 398.397 -0.057 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609916925 PUZLNMCWWVENQW-UHFFFAOYSA-N 395.191 -0.681 5 20 GBBD O=[N+]([O-])c1ncccc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 747225927 JZDPZDIEBQIKAO-LLVKDONJSA-N 390.443 -0.371 5 20 GBBD N=C(N)SCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999491 YURSNDGIONNHMS-UHFFFAOYSA-N 381.418 -0.379 5 20 GBBD COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844385822 SHRZQTZXCIKHKF-NSHDSACASA-N 394.388 -0.714 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n(C)c1=O 248063386 VIVDINZJGTVUEX-UHFFFAOYSA-N 384.352 -0.069 5 20 GBBD CCn1nc(C)c([N+](=O)[O-])c1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 281503964 OXYOBATXDXLLGX-UHFFFAOYSA-N 378.393 -0.414 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 283541517 NDMURJWIMIDPON-UHFFFAOYSA-N 382.395 -0.496 5 20 GBBD COc1cc(C(=O)NCCNS(=O)(=O)N(C)C)c([N+](=O)[O-])cc1OC 288324863 UZSRGFBVEDQESI-UHFFFAOYSA-N 376.391 -0.262 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CN(S(C)(=O)=O)C1 492556411 FOBZIYABFMPKHO-SNVBAGLBSA-N 384.414 -0.279 5 20 GBBD COC(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(=O)OC 511331271 CPZMDKJLRZXUSA-SMDDNHRTSA-N 381.341 -0.290 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)O)CCOC1 540672162 KVIOXZFKSSIRDP-AWEZNQCLSA-N 387.370 -0.377 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 598026908 HWEWCPSCCKRZIK-GXTWGEPZSA-N 399.425 -0.027 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NCCNC(=O)c2cnccn2)cc([N+](=O)[O-])c1 608807558 ZEAZHBPRTFCBSB-UHFFFAOYSA-N 393.381 -0.052 5 20 GBBD Cc1nn(C)c(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 609881063 UJOOYAOSFVHQOR-GFCCVEGCSA-N 380.405 -0.700 5 20 GBBD CN(C)c1c(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(=O)n(C)c(=O)n1C 814062431 LURBUHITANOZIH-UHFFFAOYSA-N 377.357 -0.003 5 20 GBBD CN1CCO[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@H]21 821628407 HXJOOXNTYJBIDG-MNOVXSKESA-N 395.401 -0.522 5 20 GBBD Cn1cc([C@H](CO)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 826359015 RPFDKKARYIHHBY-VIFPVBQESA-N 394.373 -0.480 5 20 GBBD O=C(COC(=O)c1csc([N+](=O)[O-])c1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 917283753 ULSBGGFZRWVCCB-MRVPVSSYSA-N 391.383 -0.174 5 20 GBBD CC(C)C(=O)NC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1324316247 LMZQOBLNXMPHPD-UHFFFAOYSA-N 380.405 -0.329 5 20 GBBD CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2[N+](=O)[O-])cn1 1777094272 QGFTXXCEQMJFRX-UHFFFAOYSA-N 397.369 -0.035 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2)c1n[nH]cc1[N+](=O)[O-] 1798011998 KCPUPFAGXIGSJQ-BISCAEAHSA-N 391.384 -0.587 5 20 GBBD NC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1 1818013425 CVUGGCVITNYEBT-WCBMZHEXSA-N 391.392 -0.367 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 65891937 IMGADTWMRXZSTJ-UHFFFAOYSA-N 385.446 -0.300 5 20 GBBD Cc1cc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] 266859967 WCXWFRJWAMPSMD-UHFFFAOYSA-N 384.462 -0.088 5 20 GBBD O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nc1 267029417 LDVRKDBKFLFSFV-LBPRGKRZSA-N 390.443 -0.371 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NC[C@@]2(O)CCOC2)c([N+](=O)[O-])c1 270037376 ZHHSEIAZUMDGDG-HNNXBMFYSA-N 388.446 -0.002 5 20 GBBD COc1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc([N+](=O)[O-])c1C 276879235 XCRYLCCETAOCBV-UHFFFAOYSA-N 386.430 -0.042 5 20 GBBD CN1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 332558019 PFWQWYVQZUGJBL-UHFFFAOYSA-N 389.412 -0.347 5 20 GBBD CCC[C@@H](O)[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 412537728 RXRCFGWKMQVMAK-ZIAGYGMSSA-N 389.430 -0.147 5 20 GBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@]12NC(=O)NC2=O 474532501 DXQJCQBVORBPIW-DIFFPNOSSA-N 389.368 -0.181 5 20 GBBD CNc1nccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1[N+](=O)[O-] 519645564 JKFIMIFZAGESAB-UHFFFAOYSA-N 395.401 -0.099 5 20 GBBD CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 598294554 VRBSJYJXVCTUCO-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD COC(=O)CCNC(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 599476273 NLBFPGRTTXXMSP-UHFFFAOYSA-N 389.386 -0.049 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 603628933 RLMHKOIKICNHAB-SECBINFHSA-N 378.432 -0.240 5 20 GBBD O=C1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611623739 NBXCFMVQSVJAPS-JSGCOSHPSA-N 397.409 -0.090 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC(NS(C)(=O)=O)C1 619778869 XVNAAMHZYFTTCL-GCVQQVDUSA-N 384.414 -0.091 5 20 GBBD CCn1ncc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 842095744 CBWSSTMLOBEVSQ-UHFFFAOYSA-N 397.369 -0.089 5 20 GBBD CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1117604742 TYWWKBCUAYUJEU-LBPRGKRZSA-N 380.405 -0.328 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(=O)N1CC(F)C1 1325509911 LUWGGQYCAXWZRY-UHFFFAOYSA-N 388.377 -0.488 5 20 GBBD COCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1326867828 SMUYJWYPGUITPE-UHFFFAOYSA-N 378.385 -0.016 5 20 GBBD CN(CCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)CC(N)=O 1591068704 LNLNULZXBXGBNF-UHFFFAOYSA-N 376.377 -0.065 5 20 GBBD NC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1804471166 PSABNGIOZORQCK-JGPRNRPPSA-N 379.377 -0.902 5 20 GBBD C[C@H]1CN(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 26776636 MYFJLMDAEKTAHG-RYUDHWBXSA-N 388.450 -0.196 5 20 GBBD COC[C@@H](C)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 265462329 ZABNDPUBHWCETB-SNVBAGLBSA-N 381.432 -0.173 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cn1C 269034765 XLDUZQRDQWDZNF-UHFFFAOYSA-N 397.417 -0.634 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)OC)[C@H](C)O 275714726 HJNMCKVPJDEYFH-CPCISQLKSA-N 376.343 -0.418 5 20 GBBD CO[C@@H](C)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 276063159 RDFPRMSIMSUVPP-GVXVVHGQSA-N 387.414 -0.130 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)cn1C 483528660 XDKGJVAJWHSRHX-UHFFFAOYSA-N 383.434 -0.123 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 598030384 UWWPNEGODVBHAI-GXFFZTMASA-N 399.381 -0.752 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 604207349 GFYLRYBQHOBLCU-UHFFFAOYSA-N 399.429 -0.208 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 732620721 YKFBDSVAVZNMNK-QMMMGPOBSA-N 383.429 -0.115 5 20 GBBD Cc1nc(=NC(=O)Cn2ccc([N+](=O)[O-])n2)n(-c2ccc(-c3nn[nH]n3)cc2)[nH]1 737479587 CFORIXURPOACQF-UHFFFAOYSA-N 395.343 -0.079 5 20 GBBD O=C(Cn1cnnn1)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 737988562 NCJUVKAOKMDZIV-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD CCc1nn(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)c(-c2nn[nH]n2)c1CC 821516722 ARMQEIGNYNRCOO-SNVBAGLBSA-N 389.376 -0.286 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCNCC1 1118198846 VRFWYTFTXHAGGV-UHFFFAOYSA-N 397.457 -0.667 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 1349920145 HQNMAGMZTNQUFY-NSHDSACASA-N 375.455 -0.139 5 20 GBBD O=C1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C3)N1 1795824062 IZZLRCFJVDKWAI-LMLFDSFASA-N 376.373 -0.152 5 20 GBBD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(F)c1[N+](=O)[O-] 1799633866 INQFNGJGBUELSG-DJBIQUGXSA-N 395.391 -0.777 5 20 GBBD CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824806 VZQAELIOFDYXTA-DYVFJYSZSA-N 396.400 -0.236 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(C)C)cc1[N+](=O)[O-] 9215555 OVRXCLRERCSUJW-UHFFFAOYSA-N 388.402 -0.017 5 20 GBBD CN1CC(=O)N(CC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1=O 27246971 ARCCWPVGRXHLES-UHFFFAOYSA-N 376.325 -0.079 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N(C)CC(=O)N(C)C)c([N+](=O)[O-])c1 104732812 UQOUFLSJZJWZSE-UHFFFAOYSA-N 387.462 -0.041 5 20 GBBD C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 130277008 WLXXEHSRGXECPR-GOEBONIOSA-N 380.449 -0.219 5 20 GBBD NC[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 261908992 XJDJWIMRDVRJFY-HIFRSBDPSA-N 398.441 -0.066 5 20 GBBD O=[N+]([O-])c1ccc(OCCN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 270830916 CTQSCCKJXFXUKN-HOTGVXAUSA-N 385.442 -0.251 5 20 GBBD CO[C@H](C)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 276063166 RDFPRMSIMSUVPP-MDZLAQPJSA-N 387.414 -0.130 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cc1[N+](=O)[O-] 276775638 CECBRXOHSVCONY-MRVPVSSYSA-N 390.330 -0.620 5 20 GBBD CN(CCOCCO)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 282215564 SCEWAPSLWJJTJH-UHFFFAOYSA-N 390.418 -0.489 5 20 GBBD O=C(O)[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCS1(=O)=O 424373761 YHGQTJIAMATENW-SECBINFHSA-N 382.347 -0.394 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 427508307 ZWTGJPJDDIPDOY-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCCNS(=O)(=O)c1ccc(F)cc1F 441402342 HKDXRRYQLPLEOA-UHFFFAOYSA-N 390.328 -0.441 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1O 487669662 BQAPOMGOMJXLMY-CMPLNLGQSA-N 383.405 -0.213 5 20 GBBD CN(CCOCCO)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 507251626 JSGMCFGVAQSQPT-UHFFFAOYSA-N 390.418 -0.477 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 541655765 QYIHVJGGIHOPGJ-SNVBAGLBSA-N 376.412 -0.081 5 20 GBBD Cn1ccnc(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O 541805531 VBCDFENZJQKNPR-UHFFFAOYSA-N 396.385 -0.212 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](O)CS(=O)(=O)c2cccs2)c1 571445777 NWRDQHNRKWSZFH-NWDGAFQWSA-N 390.443 -0.362 5 20 GBBD COC[C@](C)(O)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 583301765 RQMYJPRNHVGGKY-AWEZNQCLSA-N 375.403 -0.076 5 20 GBBD O=C1CO[C@H]2CCN(S(=O)(=O)c3cccc(C(=O)O)c3[N+](=O)[O-])C[C@@H]2N1 584533944 UTPHVOOFHUXWFT-UWVGGRQHSA-N 385.354 -0.429 5 20 GBBD CNS(=O)(=O)C1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598596645 RATNQVAFKOXCDR-UHFFFAOYSA-N 386.434 -0.261 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 598976793 CVYJUFGPJMBVJZ-UHFFFAOYSA-N 399.429 -0.912 5 20 GBBD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 603917319 NTJTXUQSSVIPBI-UHFFFAOYSA-N 399.389 -0.676 5 20 GBBD Cn1nncc1S(=O)(=O)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 781738072 MACVBOMCFUTHME-UHFFFAOYSA-N 382.358 -0.652 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cnccn2)cc1[N+](=O)[O-] 802109096 KFCBUXAFRLATTB-UHFFFAOYSA-N 386.367 -0.093 5 20 GBBD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1319592251 SYDDEDDHZGTPMN-LBPRGKRZSA-N 377.401 -0.432 5 20 GBBD CN(C)S(=O)(=O)N1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1591023799 XZNXRVSJINWOPZ-UHFFFAOYSA-N 397.421 -0.512 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1606277083 LGZHQJSGLYOQFW-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1781239461 GNAVFJCPLJWXRM-BZNIZROVSA-N 380.357 -0.234 5 20 GBBD O=C(Cc1cc[nH]n1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1782791681 SLWZUKPMWPSFGL-MRXNPFEDSA-N 389.372 -0.273 5 20 GBBD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-])n1cnnn1 1796853784 HYMNAJDBSFKEMS-CHWFTXMASA-N 389.376 -0.183 5 20 GBBD Cn1cc(CC(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 1842000887 YEGGQUBNUWRSFQ-UHFFFAOYSA-N 387.400 -0.029 5 20 GBBD COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 66236027 ROSSKVWEIFYXAM-UHFFFAOYSA-N 376.343 -0.060 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 275126698 OTKZMVWOLJGKCG-SNVBAGLBSA-N 378.384 -0.224 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 288337356 WAKVYDGIQXKQNN-CYBMUJFWSA-N 386.386 -0.491 5 20 GBBD C[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 298132606 DLEBPJSKSOPZCC-JTQLQIEISA-N 399.429 -0.296 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 489484641 RGPGTXHPUXKTHE-ZJUUUORDSA-N 379.377 -0.410 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 501203102 HPDGYFKESIVIMJ-SNVBAGLBSA-N 375.407 -0.453 5 20 GBBD O=C1C[C@@H](N(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C2CC2)C(=O)N1 524030647 DYWHQCBMESNWNS-CYBMUJFWSA-N 389.368 -0.200 5 20 GBBD COC(=O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 535842652 GZSPDIXZNNTTKD-UHFFFAOYSA-N 380.357 -0.550 5 20 GBBD O=C(c1cnn(C[C@@H](O)CO)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 596784343 GROGDDBZWIVJIP-CQSZACIVSA-N 376.373 -0.498 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 599007935 SIZMSKCWTAMZCI-LLVKDONJSA-N 386.376 -0.193 5 20 GBBD CCn1nncc1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 599114246 YJPNKVZBKIGQKI-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N1 599175658 GUHRXWRYQJOTSZ-ZWNOBZJWSA-N 384.414 -0.096 5 20 GBBD COC(=O)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C(=O)OC)C1 599273211 ADEFGMRJOBTKNS-IUCAKERBSA-N 390.374 -0.556 5 20 GBBD Cc1nn(C)c(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 763827367 KEFXHMXWPXURLB-UHFFFAOYSA-N 382.377 -0.159 5 20 GBBD Cn1[nH]c(COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1=O 765458104 MFAXTDUDERYMOM-UHFFFAOYSA-N 385.358 -0.572 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 845498601 ZUHWGUXPSWAMSD-UHFFFAOYSA-N 399.360 -0.067 5 20 GBBD C[C@@H](N)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1118962576 LNSCXFUVALNTQN-GFCCVEGCSA-N 377.401 -0.315 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1261323234 ALYDJFBKEKBYFI-CQSZACIVSA-N 396.425 -0.370 5 20 GBBD NS(=O)(=O)c1cccc(N2CCN(C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 1320271137 CGWBGPDPSFRBEE-UHFFFAOYSA-N 399.429 -0.184 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1321545959 HRFDCPAGNRDHNZ-UHFFFAOYSA-N 391.428 -0.420 5 20 GBBD CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)C1 1784782902 SWDMVJVTTQIODZ-KRWDZBQOSA-N 377.401 -0.072 5 20 GBBD CNc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 142367584 ZMKBVFAZKRKMJO-UHFFFAOYSA-N 385.446 -0.057 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 264707913 VLMBHCPAXVVCMX-UHFFFAOYSA-N 380.386 -0.258 5 20 GBBD CN(CCCNC(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 299005458 NGFINEPYHCLYGT-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD O=C(CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1)N1CCCCC1 468980247 PLZJYLQIFCQXBX-UHFFFAOYSA-N 391.428 -0.087 5 20 GBBD Cc1cc(=O)c(C(=O)N[C@H]2CC(=O)N(C)C2=O)nn1-c1ccccc1[N+](=O)[O-] 562768398 OSMPGJSIWXSJCE-JTQLQIEISA-N 385.336 -0.064 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 578766872 JNTGBESDBPONQA-GDLCADMTSA-N 375.385 -0.458 5 20 GBBD CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 590992745 ZXNOMWCFSYDHQW-CQSZACIVSA-N 377.401 -0.132 5 20 GBBD CCCS(=O)(=O)N1CCC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 591726069 GUADQSRPXBHVAS-CQSZACIVSA-N 375.451 -0.054 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)CC1 822460376 FDRDDFFTLGNHLV-UHFFFAOYSA-N 391.494 -0.542 5 20 GBBD CN(C)C(=O)CCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1118002550 CDLZFZDRCPGYIL-UHFFFAOYSA-N 392.416 -0.377 5 20 GBBD CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779390005 XUFJHZSKSMQNJT-MRXNPFEDSA-N 394.388 -0.712 5 20 GBBD O=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)C1 1779393396 HBFFJRFZFRDOJG-MRXNPFEDSA-N 377.357 -0.260 5 20 GBBD O=C(CC1(O)CCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1801586093 GJBBHWHALGSLPY-GNXNZQSNSA-N 393.400 -0.174 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CN1 1841110759 FTMFAZOHFUWCPP-GFCCVEGCSA-N 390.400 -0.479 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1[C@H]2COC[C@H]21 1848163509 AYVTZDZFLQKBDB-HCZIRCDUSA-N 375.385 -0.115 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(Cc3nc(=O)[nH][nH]3)CC2)cc1[N+](=O)[O-] 271608906 JYVKHFXKICGVBO-UHFFFAOYSA-N 398.401 -0.479 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 273920274 BHINPLJKWUYFOD-NSHDSACASA-N 392.411 -0.136 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 276586767 WBFJHTFVHFEBAC-LBPRGKRZSA-N 377.401 -0.160 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)C2COC2)CC1 276962094 VQFSPLMCYSPWFJ-UHFFFAOYSA-N 391.427 -0.370 5 20 GBBD COc1ccc(S(=O)(=O)NCCOCCS(N)(=O)=O)cc1[N+](=O)[O-] 288905582 KBOKKXJPAYGTTJ-UHFFFAOYSA-N 383.404 -0.813 5 20 GBBD O=C(C[C@@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 429744240 OEAPHEGCSDEGEQ-CQSZACIVSA-N 398.441 -0.194 5 20 GBBD COCCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 440312386 HBXYIAKZFSGGNQ-OCCSQVGLSA-N 376.435 -0.322 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 447934698 AIJQXPLUVJSDIZ-JTQLQIEISA-N 391.333 -0.595 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 448551342 JQZSKKDYCQMGKI-JTQLQIEISA-N 385.354 -0.193 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 519836128 ZZOONSBOGWBWTM-ZIAGYGMSSA-N 385.384 -0.132 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O 524577854 ZHHXKOIWGYTIPH-SECBINFHSA-N 376.329 -0.577 5 20 GBBD NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 576715515 LXZJUYCUDMDZEX-KGLIPLIRSA-N 396.425 -0.061 5 20 GBBD O=C(NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)[C@H]1CCCN1 578129639 UPCSFGLPNYBKDM-LLVKDONJSA-N 395.441 -0.191 5 20 GBBD O=C1NCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 596642127 GDLAUIUWHWOSKB-CYBMUJFWSA-N 382.398 -0.436 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 598026909 HWEWCPSCCKRZIK-JSGCOSHPSA-N 399.425 -0.027 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2CNS(C)(=O)=O)n1 599214634 ZXKJAAKBFZKENH-VIFPVBQESA-N 381.436 -0.579 5 20 GBBD Cn1nccc1CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 808018705 OITQKUWULIBJIJ-UHFFFAOYSA-N 387.400 -0.269 5 20 GBBD COCCOC[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1261400783 ZXVBTCKDUFODGF-ZDUSSCGKSA-N 395.416 -0.194 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1323043860 BIFIURALYYEMJA-CYBMUJFWSA-N 384.414 -0.249 5 20 GBBD CC[C@@H](NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 1340386958 IJUIMPTXVVCEFR-CQSZACIVSA-N 378.385 -0.035 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1591622806 DVBTUYWEAXEIRH-UHFFFAOYSA-N 388.344 -0.207 5 20 GBBD CC1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1603815586 VWPVLINMRGLYDV-ZYHUDNBSSA-N 388.388 -0.029 5 20 GBBD COC(=O)[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1604959367 VWSJNEABOKVBAS-GMSGAONNSA-N 382.358 -0.138 5 20 GBBD C/C(=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2)C(=O)O 1785415335 TYRCTEBYABWOFJ-CXSQMQJXSA-N 393.356 -0.208 5 20 GBBD CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2)C(=O)O 1796091930 YLSYDIRGKOULPH-VLEAKVRGSA-N 394.388 -0.368 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2 1796342031 XLFYHFXVNHXYRT-DJBIQUGXSA-N 395.391 -0.777 5 20 GBBD COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796719183 QIOXIGCKXKVEFX-QHBPRCKVSA-N 394.384 -0.152 5 20 GBBD COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)c([N+](=O)[O-])cc1O 1847446355 IGMFMPRERLTAMO-UWVGGRQHSA-N 381.341 -0.565 5 20 GBBD CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 270150606 VVQNANMCFNUDJT-DOMZBBRYSA-N 377.361 -0.257 5 20 GBBD O=C(C(=O)N1CCn2ncnc2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 459851160 UXZWLTRVLGGRGW-UHFFFAOYSA-N 385.384 -0.123 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCCN1CCNCC1 583933702 OOKBZJIIPTZCPL-UHFFFAOYSA-N 399.473 -0.325 5 20 GBBD NC[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 595931142 VTLXGODYRGBFDL-OCCSQVGLSA-N 398.441 -0.209 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598601029 CUYIJBZVGKCQGW-ZDUSSCGKSA-N 382.421 -0.649 5 20 GBBD CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCO1 599385036 WTAOYQMMXQFAKF-LLVKDONJSA-N 388.402 -0.078 5 20 GBBD CC(C)(C(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 618173772 NTHVAOCNVUTWRL-UHFFFAOYSA-N 384.414 -0.061 5 20 GBBD Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 619527095 FGLNHTCLKNSKCG-UHFFFAOYSA-N 379.373 -0.924 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCS(=O)(=O)N1CCOCC1 748046064 RKCAYOJOQWFAFN-UHFFFAOYSA-N 375.407 -0.732 5 20 GBBD Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)Cn3cnc([N+](=O)[O-])n3)cn2)c1 748992806 XPPNRXIVTYSTCY-UHFFFAOYSA-N 392.357 -0.419 5 20 GBBD CN(C)S(=O)(=O)N(C)CCOC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 782603244 JXDSDQRJXQGHSI-UHFFFAOYSA-N 388.402 -0.394 5 20 GBBD C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 825000030 MULFVFASUXWJPR-QMMMGPOBSA-N 385.348 -0.361 5 20 GBBD O=C(NCCN1CCNCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 842226340 OJNSZXBTFDHJCN-UHFFFAOYSA-N 390.444 -0.735 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCCC1=O 8633031 WRLHYIMWLLEAHD-UHFFFAOYSA-N 375.293 -0.117 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)NCCOCC(N)=O)cc([N+](=O)[O-])c1C 443771945 MRERRSKSSQEYOQ-UHFFFAOYSA-N 389.386 -0.140 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 489541533 SXRVTDSEGCLOMI-LBPRGKRZSA-N 385.340 -0.140 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCC[C@@H]2C(=O)NN=C2C)cc1[N+](=O)[O-] 541152700 MUMXPOCIVRCHBW-NSHDSACASA-N 377.357 -0.039 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1 555538472 SJJUOHVLUSTVSM-CHWSQXEVSA-N 397.432 -0.055 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 592912307 XJZOURVVFJWWLI-GHMZBOCLSA-N 386.382 -0.006 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCC23CC(CN2)C3)c([N+](=O)[O-])c1 595990584 YIHQTHPOULJPPQ-UHFFFAOYSA-N 383.430 -0.088 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 599412667 MVQBBJXHKWYQMP-JTQLQIEISA-N 390.385 -0.015 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 611005534 RUHWYUHEFMWDRN-NSHDSACASA-N 398.397 -0.530 5 20 GBBD COc1ccc(OCCn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)c([N+](=O)[O-])c1 826211579 LLEPDHJORQCBGQ-UHFFFAOYSA-N 389.328 -0.277 5 20 GBBD C[C@H](OC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 848785500 BVUGBNVNNRVHJP-DTWKUNHWSA-N 386.386 -0.237 5 20 GBBD Cn1cc(N2C[C@H](C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2=O)cn1 860860510 HVFIQBHFNWVRRT-SECBINFHSA-N 394.369 -0.419 5 20 GBBD CS(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 860875317 AKYRACIENIYGCG-VIFPVBQESA-N 392.415 -0.534 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1327152888 VPEOBYDYKVSQFQ-UHFFFAOYSA-N 376.369 -0.246 5 20 GBBD O=C(O)c1ccc(S(=O)(=O)N2CCN([C@@H]3CCNC3)CC2)cc1[N+](=O)[O-] 1610837851 CUOJYKJSJNWTKT-LLVKDONJSA-N 384.414 -0.039 5 20 GBBD O=C(Cn1cncn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379956 OQWGIKAKRLIRGQ-HNNXBMFYSA-N 390.360 -0.947 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389526 QTLYXZOBKUQMQU-MGPLVRAMSA-N 394.388 -0.714 5 20 GBBD NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787479781 AXNVWQHZUIQGOK-DCAQKATOSA-N 394.388 -0.823 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810631312 GBVFMBYMKYNKLI-GWCFXTLKSA-N 390.356 -0.657 5 20 GBBD O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CN1 1841113251 VRNPQHKHJKGNQD-JTQLQIEISA-N 376.373 -0.339 5 20 GBBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)N1CCOCC1 109368269 GHSFBDFYEDFQTO-SNVBAGLBSA-N 385.398 -0.025 5 20 GBBD NS(=O)(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 265518734 RBPIIXLALZILLW-UHFFFAOYSA-N 384.823 -0.242 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C(=O)OC 276054870 AUELEAVMQQFEAH-NSHDSACASA-N 388.354 -0.056 5 20 GBBD CCN1C(=O)[C@H]2CN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CCN2C1=O 361029205 ABNJLIOAJIBUQA-LLVKDONJSA-N 383.386 -0.285 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCn2c(O)nnc2C1 467079901 RIHNELPMTBOJHM-UHFFFAOYSA-N 383.342 -0.117 5 20 GBBD COC(=O)[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCO1 468905550 JHRYXRUQXVMYQU-GFCCVEGCSA-N 387.370 -0.435 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(n2cc(C(N)=O)nn2)C1 501993918 KKXNTRWOZSGZNK-UHFFFAOYSA-N 382.358 -0.461 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 519836122 ZZOONSBOGWBWTM-KGLIPLIRSA-N 385.384 -0.132 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 525247240 WPLSSYOVYJLPEC-UHFFFAOYSA-N 378.393 -0.387 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 542904126 DKCNQLZTHJPSMW-ZDUSSCGKSA-N 378.341 -0.706 5 20 GBBD NS(=O)(=O)c1ccc(OCC(=O)NCC(=O)N2CCCC2)c([N+](=O)[O-])c1 598991864 UFGFHQZUQWJREG-UHFFFAOYSA-N 386.386 -0.640 5 20 GBBD CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCN(S(C)(=O)=O)CC1 609560597 SJYCCPUYMZXNMK-UHFFFAOYSA-N 385.446 -0.057 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 619778908 ZFHYJFBLLFEEAP-UHFFFAOYSA-N 398.397 -0.483 5 20 GBBD COC(=O)CN(CC(=O)O)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 737605822 QFEXGBJKHGWXOT-UHFFFAOYSA-N 381.297 -0.594 5 20 GBBD CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 839685228 PDIPCFXGHJZKDA-ZIAGYGMSSA-N 382.442 -0.096 5 20 GBBD Cn1cnn(CCC(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O 861405589 PCACDGZCQNULAB-UHFFFAOYSA-N 399.385 -0.910 5 20 GBBD CN(CC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1CC1 861407288 MXTYTNKSTNQNQD-UHFFFAOYSA-N 385.398 -0.027 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1593466741 VTUQTWSPPWBGGE-SNVBAGLBSA-N 394.417 -0.521 5 20 GBBD CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795547776 GKVGEQLQGPZQIV-SSYGJKRZSA-N 394.432 -0.106 5 20 GBBD O=C(Cn1nccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1799412511 BUHPZIVOULZFHF-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800287783 KXBBEBADMVWLHS-WDAIWFPHSA-N 389.372 -0.513 5 20 GBBD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1834966018 DYPKVWHFWHDHMR-INIZCTEOSA-N 383.357 -0.096 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 45832343 AVHLWMMPFHBXOK-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD COCCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 264296907 YFMGGIXLSDBZLX-CYBMUJFWSA-N 387.414 -0.191 5 20 GBBD COC[C@H](CCO)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 265873576 VRNFHMAGDOPHFQ-NSHDSACASA-N 390.418 -0.430 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 268250135 JSJUREXJWRPACY-NSHDSACASA-N 387.370 -0.344 5 20 GBBD C[C@H](O)c1cn(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 268854402 OBEIPNXICNHOOR-JTQLQIEISA-N 398.401 -0.666 5 20 GBBD CC(C)NC(=O)CN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 272524069 OCUZLWGIBYQFFO-UHFFFAOYSA-N 385.446 -0.111 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCNS(=O)(=O)N(C)C)ccc1[N+](=O)[O-] 288219855 MLFCZXSOWHZNLP-UHFFFAOYSA-N 387.418 -0.855 5 20 GBBD CCN1CCO[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 369680705 WUKMIWKVNBACKX-CQSZACIVSA-N 386.430 -0.290 5 20 GBBD COc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 430198483 YRCJZZGQWKSPCM-HUUCEWRRSA-N 385.442 -0.121 5 20 GBBD Cn1c(O)ncc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 435222202 ICZHZWJXAHONFS-UHFFFAOYSA-N 397.369 -0.898 5 20 GBBD Cc1c(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] 480878645 MXWDWRSBLZTLRT-UHFFFAOYSA-N 392.459 -0.185 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 565672184 UOZFIALILQPVJT-MNOVXSKESA-N 377.357 -0.688 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2nncn2C[C@@H]1C(=O)O 591652985 IASPMNALEQYOBJ-JOYOIKCWSA-N 388.340 -0.200 5 20 GBBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(CCO)CCOCCO 600115149 DBMPIKPOCNMGKZ-LBPRGKRZSA-N 385.373 -0.378 5 20 GBBD C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)C(=O)N1CCCCC1 603911046 AWZWZYYGFRAYMZ-SNVBAGLBSA-N 379.373 -0.627 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 619875629 STLDFQBABYECSI-GFCCVEGCSA-N 381.341 -0.179 5 20 GBBD Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 761021147 LMNSHAYVJMVATF-MRVPVSSYSA-N 388.358 -0.897 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1[N+](=O)[O-] 822009713 CPNHKFSMJLNXII-MRVPVSSYSA-N 399.375 -0.053 5 20 GBBD COC[C@](C)(NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 831608283 JTHAQWSNDCXVFI-AWEZNQCLSA-N 389.386 -0.179 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1251440877 UNAGGNVDBSVUJE-LBPRGKRZSA-N 384.414 -0.912 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1327118973 QZGCYNCTDCTMEC-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784720564 RUQDFYHTCQKDOI-BDJLRTHQSA-N 379.373 -0.202 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798685917 NSSVQKXJDZVFLJ-VLEAKVRGSA-N 393.404 -0.838 5 20 GBBD COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794584 UJGMOYJXMABKBU-MRXNPFEDSA-N 397.388 -0.576 5 20 GBBD C[C@H](CN)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824274 WRVRCJOLSRFVDJ-GFCCVEGCSA-N 377.401 -0.445 5 20 GBBD CS(=O)(=O)CCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 31575062 FWGQCADYEXGNBT-UHFFFAOYSA-N 393.443 -0.039 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 68360229 CAJWIYSPEBJJKZ-JTQLQIEISA-N 381.341 -0.112 5 20 GBBD Cc1cc(N2CC[C@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)C2=O)n(C)n1 269011796 ACVHMEBRAOTOCP-LBPRGKRZSA-N 376.377 -0.062 5 20 GBBD C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 428718280 FERYLZNOAWBHMJ-ZYJFBCHUSA-N 377.357 -0.542 5 20 GBBD O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCN(Cc2nc[nH]n2)CC1 598630874 NHAJUXFTNOCDBV-UHFFFAOYSA-N 375.393 -0.338 5 20 GBBD NC(=O)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 604435544 PZEPTALCCOAUCP-LLVKDONJSA-N 384.414 -0.013 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1CS(N)(=O)=O 609619724 DYGDMQABFCVXIQ-GXFFZTMASA-N 384.414 -0.007 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)OCC(=O)N1CCN(c2cnccn2)CC1 746595329 XCEQBNZRIBNIGQ-UHFFFAOYSA-N 389.372 -0.137 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O 1347343980 BAYCMHMZQFUNHV-AWEZNQCLSA-N 392.416 -0.043 5 20 GBBD O=C(Cn1cccn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380706 ZYAKORANPUGQCT-INIZCTEOSA-N 389.372 -0.342 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1780420336 SAOSRJZSMNHIMR-PLQHRBFRSA-N 393.400 -0.911 5 20 GBBD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc2c1OCC2 1798520177 ZAKOZDAHLVQTEY-DRXBFXEBSA-N 390.396 -0.308 5 20 GBBD COC(OC)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841488157 YALCMNLOXMFVNE-UHFFFAOYSA-N 394.384 -0.421 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCOCC1 8643576 JEVRIDJWEUFVQP-UHFFFAOYSA-N 377.309 -0.407 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 283661847 ZFTVTTNTYMJZEJ-UHFFFAOYSA-N 392.459 -0.451 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] 416384163 INXBSKBCLIKLNS-LBPRGKRZSA-N 388.354 -0.056 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2C(=O)NC[C@@H]2C1 431578552 MNKOJJORSFIKPV-LLVKDONJSA-N 375.341 -0.444 5 20 GBBD COC(=O)[C@@]1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOC1 446718206 AEJFBAJRLZYVDL-MRXNPFEDSA-N 380.357 -0.158 5 20 GBBD Cc1c(C(=O)NC[C@H](C)N2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 462090561 FBUWXHVSCTXTQX-NSHDSACASA-N 399.473 -0.084 5 20 GBBD CS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 493876616 WAUYWYPMYBPRAB-UHFFFAOYSA-N 393.399 -0.537 5 20 GBBD C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCF 504527453 ZNDZAIVLQQUZLP-JTQLQIEISA-N 390.393 -0.146 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 524475811 KLJUOVBGWWCOMD-UHFFFAOYSA-N 398.387 -0.494 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 547930599 UWKLJCGRPDGTQW-WYVULQQZSA-N 378.384 -0.190 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] 559266445 DFFNLYGZUJMRDO-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD O=C(C(=O)N1CC[C@H]2NCC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 565298594 HWUJDKMTRIMGPT-UKRRQHHQSA-N 388.428 -0.151 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)n1 599255758 KLBXFDVLRUKZRT-UHFFFAOYSA-N 393.447 -0.437 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)O 619471529 DTEYWEVICRTGOS-WBNWAKSLSA-N 378.384 -0.190 5 20 GBBD CC(C)(C)OC(=O)N1CCN(CC(=O)NCCn2cc([N+](=O)[O-])cn2)C(=O)C1 768585507 DQXWBOUHWRADLP-UHFFFAOYSA-N 396.404 -0.013 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)COC)cc1[N+](=O)[O-] 795322710 GVCQSYFUCQWVFV-UHFFFAOYSA-N 375.359 -0.327 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCC(=O)N1CCOCC1 796274100 SRUVAAHZQPFMGK-UHFFFAOYSA-N 387.370 -0.725 5 20 GBBD CC(C)NC(=O)CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 820133367 POTANTDMKZFVQQ-UHFFFAOYSA-N 375.393 -0.184 5 20 GBBD O=C(NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 842330310 HIWPGJJUHYHDKH-VXGBXAGGSA-N 381.366 -0.216 5 20 GBBD CO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1791316261 ARTOWKCWLUPFPA-BJDJZHNGSA-N 381.389 -0.054 5 20 GBBD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1795525833 IAYLYMYMMFSCBX-WDAIWFPHSA-N 392.368 -0.515 5 20 GBBD CS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265280867 IEIKUOUEARNOJP-UHFFFAOYSA-N 394.431 -0.783 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c(C)c([N+](=O)[O-])c1 276810623 DQKNYEIPXVIJDQ-GFCCVEGCSA-N 394.340 -0.659 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CC(CC(N)=O)C2)c(C)c([N+](=O)[O-])c1 280363936 GKABDLJYJKPYPB-UHFFFAOYSA-N 378.341 -0.038 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)c(C)c([N+](=O)[O-])c1 487774608 XIWGEMXDLBTIAZ-WDEREUQCSA-N 381.341 -0.418 5 20 GBBD O=C(NCCCN1C(=O)CNC1=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 521999661 YXAAGSDEJRAORW-SNVBAGLBSA-N 393.356 -0.150 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 609955088 GSSKCZIWDOBGGJ-GFCCVEGCSA-N 391.384 -0.305 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)[C@H]2CCOC2)cc([N+](=O)[O-])c1 733721085 RBDXNRKKNYGBRR-JTQLQIEISA-N 378.384 -0.153 5 20 GBBD CCOC(=O)C1=C(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)NC(=O)N[C@@H]1C 748916242 GRNGLPBUDGCDLZ-SECBINFHSA-N 394.340 -0.182 5 20 GBBD COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 792990434 WTNGLMMCXWNYDF-UHFFFAOYSA-N 381.341 -0.265 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1117956022 QZANXNBKCODQNJ-AWEZNQCLSA-N 396.425 -0.023 5 20 GBBD O=C(Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)N1CCNCC1 1118135840 UOWIMMXVDOMSNZ-UHFFFAOYSA-N 383.368 -0.078 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1328229458 XCARHOBTJVEJLL-ZIAGYGMSSA-N 397.409 -0.592 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1340915806 QDOCRTNXICDLPC-DPDCMNJDSA-N 386.364 -0.320 5 20 GBBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@@H](O)C(=O)O)CC1 1601512114 FZAISANBNVYBMO-CQSZACIVSA-N 379.369 -0.062 5 20 GBBD O=C(c1cc(O)n[nH]1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380005 RQGRVOSKQXNYJH-OAHLLOKOSA-N 391.344 -0.496 5 20 GBBD O=C(c1cc(O)no1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779677475 IBLFGAORJXRWPK-OAHLLOKOSA-N 392.328 -0.231 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1781764122 MVMVBXRHASEQFJ-YOEHRIQHSA-N 395.391 -0.537 5 20 GBBD CN(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810408 OVEFWUMUQJXWAS-OBJOEFQTSA-N 394.432 -0.137 5 20 GBBD CN1C[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 116668397 MPYZQFWOLNHLJM-SECBINFHSA-N 385.402 -0.609 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)N2CCc3c2cccc3[N+](=O)[O-])n(C)c1=O 172423838 MTCHWPHHTHEUMD-UHFFFAOYSA-N 384.352 -0.069 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 268470503 XVRBCYFUOPOAKW-RFGFWPKPSA-N 382.373 -0.679 5 20 GBBD CC(C)NS(=O)(=O)NCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 277190070 ONXAQTQUKQTGKA-UHFFFAOYSA-N 381.436 -0.514 5 20 GBBD Cn1nncc1CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 287599244 NENNTKJSZJIMIW-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD CCCNC(=O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 299172247 QMUZSWIOMXHZBO-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD CCS(=O)(=O)NCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 299576315 ACSRYOQZPZIODC-UHFFFAOYSA-N 379.416 -0.333 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 440031202 UKFLPOSZWPJLDZ-NSHDSACASA-N 391.340 -0.305 5 20 GBBD NC(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 465132724 DSVPJMSXKCDOAN-LLVKDONJSA-N 384.414 -0.013 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)[C@H]1CCOC1 475532149 REPFPIDKRKZOLC-SMDDNHRTSA-N 387.414 -0.223 5 20 GBBD Nc1c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] 486646909 QVBYIORUJNIYDA-UHFFFAOYSA-N 391.384 -0.680 5 20 GBBD COc1ccc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] 520405472 JAJHPMYOLFZPQP-UHFFFAOYSA-N 384.414 -0.337 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 525192515 QIKXZORZJHLLJN-NSHDSACASA-N 378.432 -0.240 5 20 GBBD COCCN(C)CCN1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1=O 574171277 MAJPYTPBOPIXPL-LLVKDONJSA-N 380.405 -0.519 5 20 GBBD NS(=O)(=O)C1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598897134 WKLYRRJUBKIAEV-UHFFFAOYSA-N 385.402 -0.004 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NN1CCS(=O)(=O)CC1 862735574 HXDBVLJUOMLVDS-UHFFFAOYSA-N 387.370 -0.444 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCC3(CC2)OCCO3)c1=O 918716378 QQSAINVBHDVEMK-UHFFFAOYSA-N 381.341 -0.091 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1116999426 TXXHMZNASNLOQM-ZDUSSCGKSA-N 384.414 -0.249 5 20 GBBD C[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779606411 SRGBJKNACAREDV-NSODJVPESA-N 381.389 -0.174 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cnccn1 1794642878 PXBVDDDNDMBALR-PEGIJTEDSA-N 387.356 -0.375 5 20 GBBD CC(C)(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404083 XQBHGZMHOCEIMJ-NOHGZBONSA-N 395.416 -0.072 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796405626 JLLZJLDCEGEEFG-KXGXSXBTSA-N 394.388 -0.954 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)c(=O)n2C 121384847 AFADZKHIRXPFJD-UHFFFAOYSA-N 398.379 -0.073 5 20 GBBD NCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 262692707 ANUKXNQFYJCGNW-UHFFFAOYSA-N 399.473 -0.304 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1csc([N+](=O)[O-])c1 264212922 UHJAWSFUYGPVTF-WDEREUQCSA-N 375.428 -0.116 5 20 GBBD CCc1nn(C)c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 271143092 FWKPJGWRKRCYKO-UHFFFAOYSA-N 380.405 -0.602 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 509941259 HWWSWFYAMUMCRU-NSHDSACASA-N 398.397 -0.400 5 20 GBBD COCCn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)c(O)nc1=O 592356881 KJZPIXMFSBGYMN-UHFFFAOYSA-N 383.292 -0.731 5 20 GBBD C[S@](=O)CCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 609742850 KRPHYMLCTASHFS-DEOSSOPVSA-N 392.459 -0.059 5 20 GBBD O=C(NCc1cc[nH]n1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611627012 CHASMHDHTLCHRP-AAEUAGOBSA-N 395.397 -0.242 5 20 GBBD CO[C@]1(CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCOC1 1323817298 SCXQVJIUKINODS-INIZCTEOSA-N 381.389 -0.124 5 20 GBBD O=C(N[C@H]1CCc2nnnn2CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1331824124 ZUHQMMPGCSDTQG-ZDUSSCGKSA-N 385.384 -0.013 5 20 GBBD NC(=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1592711645 UXPNYPCYZCJYNH-PHIMTYICSA-N 386.372 -0.170 5 20 GBBD CO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783982963 BFVBMJRWZGVZCH-WBMJQRKESA-N 381.389 -0.344 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)OC 32412988 RGIUSYJIBKSEFE-SECBINFHSA-N 376.343 -0.014 5 20 GBBD NC(=O)c1ccc(N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)nc1 269058967 SYOVMYUFXBYCHU-UHFFFAOYSA-N 388.388 -0.183 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298841320 HREGYUQSFDQULT-UHFFFAOYSA-N 382.398 -0.294 5 20 GBBD CC(=O)N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 422151322 CPKPTJPPVIKRAE-GFCCVEGCSA-N 399.429 -0.207 5 20 GBBD CCOC[C@H](O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 433364974 OTVIFIOBPUGJJA-GFCCVEGCSA-N 375.403 -0.223 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 517641572 UWUWUNUBEOKNFI-ZDUSSCGKSA-N 377.401 -0.318 5 20 GBBD Cn1cnc([N+](=O)[O-])c1CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 537428815 JFCHEQZMJJPQBH-UHFFFAOYSA-N 380.361 -0.659 5 20 GBBD COc1cc(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1C 548496181 SJPGTTZTJORWEY-UHFFFAOYSA-N 398.401 0.437 5 20 GBBD Cc1c(CNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] 550672226 ZMRREBKSOLYOEM-UHFFFAOYSA-N 391.428 -0.200 5 20 GBBD C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)NC(N)=O 594213634 XWHIGRGYXHNFQH-LLVKDONJSA-N 399.429 -0.125 5 20 GBBD O=[N+]([O-])c1cncc(Cl)c1N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 596177669 NTOYOGUDIOQCJD-NEPJUHHUSA-N 376.822 -0.077 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 599940210 MRULDRQOSCCCQS-STQMWFEESA-N 398.441 -0.459 5 20 GBBD O=C(CCN1CCOCC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 751372204 SLBGHQPOOGUTAD-UHFFFAOYSA-N 386.430 -0.288 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)C[C@H]1CCCO1 781513825 SUNLRGNFUQBMSM-SECBINFHSA-N 397.365 -0.184 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H](C)S(N)(=O)=O 782037723 LPNNSSBERPXKSR-QMMMGPOBSA-N 375.359 -0.412 5 20 GBBD COc1ccc(S(=O)(=O)NC(=O)c2cn(C)c(=O)nc2O)c([N+](=O)[O-])c1 916795039 QGDVUSRZGSDGFN-UHFFFAOYSA-N 384.326 -0.479 5 20 GBBD COCCN1CCN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1=O 1117974330 WWWBZEPJMWWPIH-UHFFFAOYSA-N 392.412 -0.087 5 20 GBBD CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1325904923 CRSAGUGDPYNFLU-ZDUSSCGKSA-N 398.441 -0.206 5 20 GBBD COCCCN1CCC(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1328508149 SATGIZXUCOYNER-UHFFFAOYSA-N 382.421 -0.475 5 20 GBBD CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)CC1 1598645452 XEYILKAPCPGPPW-UHFFFAOYSA-N 386.386 -0.655 5 20 GBBD COC(=O)NCC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1604952962 RGAWCUKVYFKEDS-UHFFFAOYSA-N 378.349 -0.317 5 20 GBBD C[C@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786784852 WCONKNSWQTUAFO-BLFANLJRSA-N 380.405 -0.494 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@@H]1C[C@@H]1F 1793669606 HQMWCQMBCVEYIB-KHTVDDERSA-N 381.364 -0.261 5 20 GBBD NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)CC2 1814775516 RYIGMIFXWFGOSX-QMMMGPOBSA-N 379.402 -0.181 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)c(C)c([N+](=O)[O-])c1 276826500 GAPQLLYTEILENN-UHFFFAOYSA-N 378.341 -0.071 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 428190771 HHBIWEVWIHLFMZ-UHFFFAOYSA-N 395.441 -0.324 5 20 GBBD Cc1c(C(=O)NCC2(O)CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 474973308 BLCWTOYNTUTBRB-UHFFFAOYSA-N 386.430 -0.263 5 20 GBBD CS(=O)(=O)c1ccc(NCCNS(=O)(=O)N2CCC2)c([N+](=O)[O-])c1 508859187 WGDGYVUTJAPTDW-UHFFFAOYSA-N 378.432 -0.050 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NCC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 513825213 YDHXQFRLXVBZLB-UHFFFAOYSA-N 391.427 -0.381 5 20 GBBD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 543710488 VDRWAODGMDDNST-IAQYHMDHSA-N 377.401 -0.086 5 20 GBBD COCCN(CC(=O)OC)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 549774093 WMBKFBSNMHRNAV-UHFFFAOYSA-N 375.359 -0.496 5 20 GBBD CN(CC(=O)NCC(C)(CO)CO)S(=O)(=O)c1cccc([N+](=O)[O-])c1 565603218 JDHGXSYIVKLKQB-UHFFFAOYSA-N 375.403 -0.678 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OC)cc1[N+](=O)[O-] 569470419 BLMLXUUIRQPJLG-PELKAZGASA-N 388.354 -0.322 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 578766871 JNTGBESDBPONQA-BPNCWPANSA-N 375.385 -0.458 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 579853400 ODSLGLRSHUJBQD-KBPBESRZSA-N 375.385 -0.515 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 584433725 NMMGSNBUZBVEBB-TZMCWYRMSA-N 387.462 -0.054 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 590987126 OVBBZCQUBIHQAE-AWEZNQCLSA-N 390.396 -0.157 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCN1CCNC1=O 771595145 JXHCKDXJWYUEHA-UHFFFAOYSA-N 386.386 -0.168 5 20 GBBD COC[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 774748798 KOAKTALQYIAENQ-GFCCVEGCSA-N 390.370 -0.054 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO 800548964 COLJAHGKMCWMDQ-UHFFFAOYSA-N 391.427 -0.125 5 20 GBBD CN1CCN(C)[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 826038766 XHAUXGKPQYFQAO-JTQLQIEISA-N 396.433 -0.701 5 20 GBBD O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1118841901 VDAMCTXXJOIOIZ-OLZOCXBDSA-N 390.400 -0.166 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1340876602 YBVYYPPXDXYONH-CQSZACIVSA-N 398.441 -0.206 5 20 GBBD NC(=O)CC(=O)N1[C@H]2CC[C@H]1CN(c1cc(-c3nn[nH]n3)ccc1[N+](=O)[O-])C2 1581889702 UAONKFQTRMWLIG-QWRGUYRKSA-N 386.372 -0.170 5 20 GBBD O=C1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]cc2[N+](=O)[O-])N1 1798685707 AVTCKXRWKTZSCJ-VLEAKVRGSA-N 376.373 -0.152 5 20 GBBD COC[C@@H](C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 23561234 NFGKAONAMQKERH-SNVBAGLBSA-N 396.356 -0.272 5 20 GBBD COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 26485505 FRGPRFKZQNJASM-LBPRGKRZSA-N 380.405 -0.028 5 20 GBBD CN(C)C[C@@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 269919269 PMNFGBNSNYNPLM-HNNXBMFYSA-N 388.446 -0.356 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCS(=O)(=O)NCc1ccccc1 299516835 NTMSFMIWYWISIX-UHFFFAOYSA-N 394.409 -0.008 5 20 GBBD O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC(S(=O)(=O)N2CCNCC2)C1 417224330 HXYQOTYVICYBPS-UHFFFAOYSA-N 397.457 -0.234 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])n1 435801503 UVIWQVMIBYBFGT-NSHDSACASA-N 387.418 -0.177 5 20 GBBD CNC(=O)C[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 455467805 QLFJHGBSAMNHBH-JTQLQIEISA-N 387.418 -0.303 5 20 GBBD CN(CC(=O)N1CC(S(C)(=O)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 456975032 ULFVIAZPTYQKIP-UHFFFAOYSA-N 391.427 -0.529 5 20 GBBD CNC(=O)Cn1cc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cn1 518310792 QMLWEWPLVBUPDP-UHFFFAOYSA-N 386.324 -0.228 5 20 GBBD CCS(=O)(=O)N1CCC(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 564873853 UCBWOOJMURKCKH-AWEZNQCLSA-N 375.451 -0.197 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 594878897 MAXSKHFBMIJNAV-KBPBESRZSA-N 390.400 -0.836 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403276 FBAMLUUSKPBAGI-MWGHHZFTSA-N 394.388 -0.967 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CCNC(=O)C3)c([N+](=O)[O-])c2)CC1 15168219 LUUMJQLGSFXTDG-UHFFFAOYSA-N 383.430 -0.533 5 20 GBBD Cn1cc(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cn1 267445393 CWEKXEUXGDVTSJ-UHFFFAOYSA-N 386.368 -0.067 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 274147498 XZBVWDYYCMPINR-SECBINFHSA-N 396.374 -0.305 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 274656813 FTOIENIWEUMHOO-UONOGXRCSA-N 399.425 -0.724 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H](CO)[C@H]1CCOC1 281916029 VCRMDISXEQEWKU-QWRGUYRKSA-N 377.353 -0.048 5 20 GBBD CC(C)N1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 294651328 UQYCNQQIVVKYJE-LLVKDONJSA-N 384.414 -0.001 5 20 GBBD C[C@@H]1NCCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420173749 VUTHYXNFXSNXDD-SMDDNHRTSA-N 398.441 -0.259 5 20 GBBD CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])cnc2O)cn1 439478548 YIMXAUOOOZECRI-UHFFFAOYSA-N 377.361 -0.178 5 20 GBBD O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 471165390 OCVPFTVKMLLOQF-GFCCVEGCSA-N 396.425 -0.046 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N(C)Cc2nnnn2C)c(C)c([N+](=O)[O-])c1 487807130 SOPWBJFOHPQLCT-UHFFFAOYSA-N 391.344 -0.190 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2O)CC1 566272835 MYVYEZVHRXTERM-UHFFFAOYSA-N 395.763 -0.075 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 614817585 QEFXWEWGNNHCNH-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD Cc1nn(CC(=O)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(=O)n1C 847632902 CFOGHMIGZINFSG-UHFFFAOYSA-N 389.777 -0.043 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1591037436 FOVUSBHQOKRHNM-VIFPVBQESA-N 395.401 -0.486 5 20 GBBD Cc1cc(C(=O)O)c([N+](=O)[O-])c(N2CCN(C(=O)CN3CCOCC3)CC2)n1 1600104765 GGQDTEPEISIKOL-UHFFFAOYSA-N 393.400 -0.023 5 20 GBBD CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798685713 BHTCNWTUBVHZHU-ILWJIGKKSA-N 385.402 -0.386 5 20 GBBD CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 23755257 HXKGZJVTFPGJLL-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 62885390 LWCSFBUTKATFTC-NSHDSACASA-N 392.368 -0.316 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 272975896 KDZIYRQANHVYDN-CYBMUJFWSA-N 383.386 -0.565 5 20 GBBD COC(=O)c1cn(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nn1 284382277 GATUXQBMWOEFEN-UHFFFAOYSA-N 390.356 -0.091 5 20 GBBD CC(=O)N1CC[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 472934138 ODUOLMHKEGYPNL-NSHDSACASA-N 399.429 -0.219 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 481775153 HBESRASNHNLFIO-GFCCVEGCSA-N 388.384 -0.339 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@H]1CNC[C@H]1O 493972965 FSCUIGUNPSNZBZ-GARJFASQSA-N 386.430 -0.264 5 20 GBBD C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCF 504525509 KFQJIPJWKOGGDW-JTQLQIEISA-N 390.393 -0.146 5 20 GBBD O=[N+]([O-])c1ccccc1OCCN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 507903819 NXBDWBFIMOMEOI-LSDHHAIUSA-N 385.442 -0.251 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 547863227 YTPQINBGNNQFFW-VHSXEESVSA-N 375.428 -0.428 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 566316520 CJHDGZAHDNUQFU-SECBINFHSA-N 393.399 -0.395 5 20 GBBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)C(N)=O 590537128 AQLKIGHJGQCWAZ-NEPJUHHUSA-N 384.414 -0.591 5 20 GBBD Cn1nnc2c1CC[C@H](NC(=O)CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)C2 594136725 IVEKHRLTQDCAPE-VIFPVBQESA-N 384.352 -0.007 5 20 GBBD CCC[C@H](C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(N)(=O)=O 597499856 GXVZIWFDHQOIGM-GFCCVEGCSA-N 393.443 -0.058 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H](CO)CN1CCOCC1 597618393 UPYXVZTVIASYOV-LLVKDONJSA-N 392.368 -1.000 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 609153446 JUEDGDYZUCROMJ-CYBMUJFWSA-N 392.368 -0.152 5 20 GBBD O=C(O)CNC(=O)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 760335013 ORBGXLQCCPCVDG-UHFFFAOYSA-N 396.175 -0.164 5 20 GBBD O=C(O)C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 833215898 DMIYLPSJUPFSTN-SECBINFHSA-N 377.309 -0.107 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839334593 VLHHFIKMEGDMQV-ZDUSSCGKSA-N 389.412 -0.068 5 20 GBBD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)O1 1323044109 HAWHHZRWYKCDSY-ZIAGYGMSSA-N 378.385 -0.037 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 1323576265 GFETWJSHBFAKEC-CYBMUJFWSA-N 392.416 -0.185 5 20 GBBD NC(=O)CC(=O)N1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]2C1 1581889214 CUNKIGFVZOWCQB-AOOOYVTPSA-N 386.372 -0.455 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c[nH]c(=O)cn1 1848165310 JVCOJXXWYIMHEF-STQMWFEESA-N 387.356 -0.610 5 20 GBBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCNS(=O)(=O)N(C)C)c1C 289033258 WPTOYLVLQSQOIC-UHFFFAOYSA-N 380.448 -0.114 5 20 GBBD CN(C)CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 298300236 JAQWHPUHECAKHY-UHFFFAOYSA-N 391.428 -0.053 5 20 GBBD CCS(=O)(=O)NCCNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 298626887 ZIZUFCVRAILDMP-CHWSQXEVSA-N 390.418 -0.772 5 20 GBBD NC(=O)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 377347213 QPLQADHMLDJBTF-NSHDSACASA-N 399.429 -0.220 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)CC[C@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 498759965 NOCVYCVNTJCLRI-JTQLQIEISA-N 382.398 -0.003 5 20 GBBD NS(=O)(=O)CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 525634644 HYTDOGGJGGYXAM-UHFFFAOYSA-N 392.459 -0.420 5 20 GBBD C[C@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1 542602335 ZAOLCFNMDQSMME-QWRGUYRKSA-N 384.414 -0.096 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O 578905638 DWILVPUMSAYUBY-RYUDHWBXSA-N 376.369 -0.321 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N3)CC2)c([N+](=O)[O-])c1 596665959 IZUAXHWEZRMVNB-NSHDSACASA-N 382.398 -0.465 5 20 GBBD O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 603593200 QIWDKJAPOMGBBN-UHFFFAOYSA-N 396.425 -0.046 5 20 GBBD O=C(O[C@@H]1CCNC1=O)c1ccc(C(=O)O[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 785310474 KQAMKXKHULTDSG-VXGBXAGGSA-N 377.309 -0.315 5 20 GBBD C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824865030 GULYVAOBWSEUDO-MRVPVSSYSA-N 381.374 -0.326 5 20 GBBD O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893086 MKEHMTKTZSUTJT-GHMZBOCLSA-N 396.381 -0.030 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1261522290 RJBQEFOIQDRYMP-CHWSQXEVSA-N 393.400 -0.753 5 20 GBBD CCN([C@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1609221110 GYHQCVAJJSWBLN-VIFPVBQESA-N 381.374 -0.326 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CC1)C2 1794005661 JNVUVLTZBFXSSX-GNXNZQSNSA-N 381.364 -0.117 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)C1CC1 1801642135 VYWWKAHWPRQMMA-YWVIFJGQSA-N 390.396 -0.244 5 20 GBBD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1843350815 BYIQHSYBCUVUOM-ZDUSSCGKSA-N 379.392 -0.234 5 20 GBBD CN(C)c1nc(N)nc(COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 24964305 ZSZLYQNHPRXNID-UHFFFAOYSA-N 375.345 -0.099 5 20 GBBD NC(=O)N1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 266988295 IJEFGPLEMDWOJD-LBPRGKRZSA-N 385.402 -0.468 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 274990187 FAAFVGUGWYTYTJ-NSHDSACASA-N 378.384 -0.224 5 20 GBBD Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc([N+](=O)[O-])c1 276560817 ZPLLZYRPIAFZBV-CABCVRRESA-N 383.426 -0.181 5 20 GBBD CCS(=O)(=O)NCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 298990063 LBQJUTVGVFAYLS-UHFFFAOYSA-N 384.370 -0.754 5 20 GBBD O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 349416286 HLXIRPYMBIGXAT-AAEUAGOBSA-N 398.397 -0.339 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 366080260 PHNDFCXRJHOZDM-WDNDVIMCSA-N 384.414 -0.247 5 20 GBBD CN1C[C@@H](C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 421986460 KIVXKGDSRSCJBQ-NSHDSACASA-N 384.414 -0.190 5 20 GBBD CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422401436 FWFJLOGQRKCGQX-UHFFFAOYSA-N 378.389 -0.767 5 20 GBBD CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 467053165 FXEIRHVUARCBJP-AWEZNQCLSA-N 390.370 -0.026 5 20 GBBD C[C@@](O)(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 480481862 KFTNVLSEWSWWAX-GOSISDBHSA-N 394.428 -0.086 5 20 GBBD O=C(O)[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 486058584 BAKVLXTYBGUIEA-LBPRGKRZSA-N 387.370 -0.425 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 498777272 MGEKFZJQSQNMJJ-LLVKDONJSA-N 392.368 -0.628 5 20 GBBD CC[C@H](C)[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)NCCN1CCOCC1 520367015 BOKLIECDRUYCFE-JSGCOSHPSA-N 397.436 -0.834 5 20 GBBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1CCS(=O)(=O)C1 552012810 ACWIJEWNFLDLTO-SNVBAGLBSA-N 379.398 0.501 5 20 GBBD C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)N1CCN(C)CC1 555559820 SXLKWHPZIHOQJZ-LLVKDONJSA-N 385.446 -0.392 5 20 GBBD Cn1cc([C@H](O)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 743646388 MRGHMBHXADIOJJ-CYBMUJFWSA-N 375.341 -0.097 5 20 GBBD Cn1cnn(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1=O 758295594 VSBZFORRIJPDHE-UHFFFAOYSA-N 396.429 -0.327 5 20 GBBD CCOC(=O)[C@H]1CNCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 1326275308 ILVQHVLNUJBGNQ-CQSZACIVSA-N 378.385 -0.003 5 20 GBBD C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793430711 PNXQVUWUIPOXNU-ORXSELOVSA-N 394.388 -0.967 5 20 GBBD CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005710 MGQKUCBNLKUFAT-QHBPRCKVSA-N 379.373 -0.640 5 20 GBBD CC(C)(O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795365882 DNBBIPYUWFIDLZ-DDFAGTSDSA-N 381.389 -0.318 5 20 GBBD CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1843337623 QTPBYSAHSABRQY-VIFPVBQESA-N 379.377 -0.418 5 20 GBBD O=C([C@H]1COCCN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262650974 VETZDLRIKSJZGW-CQSZACIVSA-N 384.414 -0.584 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 275875813 PIUVYSHMIKHPKN-CQSZACIVSA-N 397.409 -0.244 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)cc1[N+](=O)[O-] 277201641 FLNNQRRBDBZDBG-UHFFFAOYSA-N 391.314 -0.067 5 20 GBBD Cn1cnn(CCC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1=O 294543071 MGOHGCXOLUBPBJ-UHFFFAOYSA-N 388.384 -0.135 5 20 GBBD CCN1CCO[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 369680704 WUKMIWKVNBACKX-AWEZNQCLSA-N 386.430 -0.290 5 20 GBBD O=C(C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 410674405 WXKVQRXQRVTPTF-YDHLFZDLSA-N 389.412 -0.132 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 468711743 QTEATNIQNNTEQO-SECBINFHSA-N 385.402 -0.306 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 513123545 VJRRBZPXUZSKAI-UHFFFAOYSA-N 382.402 -0.094 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 565807191 OKBGBVTVUUWJCS-UHFFFAOYSA-N 393.385 -0.201 5 20 GBBD CNc1nccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1[N+](=O)[O-] 594335851 PGZYKPRTBZWBSV-UHFFFAOYSA-N 379.417 0.331 5 20 GBBD CN(C)S(=O)(=O)N1CC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 599183181 YBXRCULDPBYDNG-UHFFFAOYSA-N 379.420 -0.855 5 20 GBBD Cc1nn(C)c(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1[N+](=O)[O-] 609507759 QTTWFCDVJYCWJE-LLVKDONJSA-N 389.434 -0.145 5 20 GBBD Cn1nncc1C(=O)COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 803323754 JHFPKXDHNBBJRU-UHFFFAOYSA-N 376.329 -0.051 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 916753700 KQVHQRVFAXLDHT-JTQLQIEISA-N 377.400 -0.176 5 20 GBBD O=C(N1CCOCC1)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1592948164 RVNIMJRLPSHBCA-UHFFFAOYSA-N 389.376 -0.256 5 20 GBBD N=C(N)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783359954 QCNXLAVHEIAENX-NHCYSSNCSA-N 394.388 -0.736 5 20 GBBD O=C(Cn1ccnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794276972 NJDTUVDTCGUJJF-CLLJXQQHSA-N 388.388 -0.279 5 20 GBBD C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829490539 YFPWBSKCQIXZSI-BZNIZROVSA-N 383.357 -0.361 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cc(CO)on2)C1 1844820350 ZBDUJFQQIWCSMC-UHFFFAOYSA-N 376.329 -0.071 5 20 GBBD O=C(Cn1ccccc1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66345521 ZVEPLYUVZONIPH-UHFFFAOYSA-N 380.382 -0.149 5 20 GBBD C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)CC1 266387119 VJHADIGRKUGLSE-GFCCVEGCSA-N 398.441 -0.207 5 20 GBBD COCCN1CC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 272372063 HUVLZXNVPUGMTD-UHFFFAOYSA-N 386.386 -0.216 5 20 GBBD NC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 276577004 LARUWJRNXNPXRB-KGLIPLIRSA-N 376.369 -0.088 5 20 GBBD COC(=O)c1cn(CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)nn1 284337634 CHLBBQGZIFDBCK-UHFFFAOYSA-N 397.369 -0.194 5 20 GBBD CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 287928707 QRYKLQOMLPAQRT-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)Cn1ccc([N+](=O)[O-])n1 293722733 CCOMCWMYNWOELX-UHFFFAOYSA-N 383.386 -0.024 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 298089592 IBYMRYNYBACIAD-UHFFFAOYSA-N 385.402 -0.550 5 20 GBBD C[C@@H]1NCCC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420173745 VUTHYXNFXSNXDD-FZMZJTMJSA-N 398.441 -0.259 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(NCc3nnn(C)n3)c([N+](=O)[O-])c2)CC1 486475366 YFZVHDFXYOCZLK-UHFFFAOYSA-N 396.433 -0.334 5 20 GBBD COCCN(CC(=O)N(C)C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 498442518 RQCPPIKPMLGZCT-UHFFFAOYSA-N 394.384 -0.117 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CC(OCC(=O)N(C)C)C2)cc1[N+](=O)[O-] 531463881 OVIXMTISJOVGJP-UHFFFAOYSA-N 394.384 -0.351 5 20 GBBD COC(=O)c1ccc(N2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)nn1 539724243 XGUOEAUYFGJKRQ-UHFFFAOYSA-N 375.345 -0.133 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O 551042618 PCYOZBQRMUYYRE-SOUVJXGZSA-N 399.448 -0.529 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 598863214 BPQYMYKXHVAOFT-SKDRFNHKSA-N 385.354 -0.569 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C 619874462 HFMCJOXJPNZKCG-GFCCVEGCSA-N 397.388 -0.603 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)OCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 801439184 YNUFAKJBKDIQKU-UHFFFAOYSA-N 393.399 -0.566 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847894019 XCDRHOGLFPZJBH-UHFFFAOYSA-N 378.388 -0.780 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=CCC1 1257496286 VLWYWYGFNFCJKL-UHFFFAOYSA-N 382.398 -0.222 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H](N1CCNCC1)C(F)(F)F 1329519558 FVNWCUYFYLTFJR-LBPRGKRZSA-N 377.323 -0.291 5 20 GBBD CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1345552456 HBHREOZLYFYSAQ-UHFFFAOYSA-N 384.414 -0.119 5 20 GBBD CN(C[C@H]1COCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591063984 HNWRFZTVIQRWHU-VIFPVBQESA-N 384.374 -0.189 5 20 GBBD Cc1c(-c2nn[nH]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CCO 1591794772 DKGBDKQPPOARTF-UHFFFAOYSA-N 391.319 -0.414 5 20 GBBD COC[C@]1(C(=O)O)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 1593972825 IEAJHGOWOJMETK-INIZCTEOSA-N 381.341 -0.347 5 20 GBBD Cc1cc(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)cc([N+](=O)[O-])c1F 1607703789 FKCLDPFERRWNMG-SNVBAGLBSA-N 375.334 -0.042 5 20 GBBD O=C(COCCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1789913523 FMNQSVMBXITGCR-OBJOEFQTSA-N 397.384 -0.210 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCOC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798012098 UIBZNRCJLPWYEQ-FMSGJZPZSA-N 393.400 -0.052 5 20 GBBD CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825805 SENOYUOONCNMGY-KRWDZBQOSA-N 395.416 -0.446 5 20 GBBD C[C@H](O)CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 275146947 QRNCFDUCUFRIKW-NSHDSACASA-N 376.369 -0.284 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 276120995 BGMSCAUYRAXEPK-UHFFFAOYSA-N 392.347 -0.164 5 20 GBBD C[C@]1(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 280755963 LAEVMNCGUUCRES-ZDUSSCGKSA-N 391.427 -0.434 5 20 GBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 286593038 XIPWXFPOJOVICR-NSHDSACASA-N 394.203 -0.032 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@@H]1CO 364029646 NMCBDUZYPGECCD-VXGBXAGGSA-N 388.402 -0.990 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] 416429604 WGAWKANUMIBMQM-UFBFGSQYSA-N 387.370 -0.307 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](OC)C2)c(C)c([N+](=O)[O-])c1 453981890 QGKIMZQEGYZFMY-CHWSQXEVSA-N 381.341 -0.154 5 20 GBBD Cc1cc(=O)c(C(=O)NCC(=O)NCCO)nn1-c1ccccc1[N+](=O)[O-] 476455000 GFROURBRWODOIW-UHFFFAOYSA-N 375.341 -0.713 5 20 GBBD COc1cc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 518397378 GONNZSYXZQDHDJ-LBPRGKRZSA-N 380.400 -0.569 5 20 GBBD COC(=O)C1(O)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 538817590 OPGXICDJJUEZJN-UHFFFAOYSA-N 391.336 -0.283 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C(=O)O 548257020 UCPDIQBFQBJHDI-XQHREBAHSA-N 378.384 -0.190 5 20 GBBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CCO[C@H](c2nn[nH]n2)C1 732090473 KDJDLLOCNVHMLU-ONGXEEELSA-N 391.344 -0.094 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 849395989 QHVDLUWPOODNQG-LBPRGKRZSA-N 382.391 -0.130 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] 849397700 AGBMEQQKKBKYIY-PRHODGIISA-N 375.359 -0.253 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1327539825 AFFBKXVBQQCFHD-UHFFFAOYSA-N 389.412 -0.236 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 1347105959 SSFNUPWTKQADIT-ZDUSSCGKSA-N 395.416 -0.048 5 20 GBBD C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1602989530 VDSWXAWCHONHAS-SFYZADRCSA-N 384.378 -0.822 5 20 GBBD Cc1nn(C)c(N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)c1-c1nn[nH]n1 1606109269 AGRDNZWHPQBWGK-UHFFFAOYSA-N 387.364 -0.498 5 20 GBBD CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810011 XVFMASFYSZQCRV-NHCYSSNCSA-N 394.388 -0.953 5 20 GBBD COCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1798008987 WOEALPBHFJIVRG-PTEHBNRSSA-N 393.400 -0.052 5 20 GBBD COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825876 WUCQNSKTCWIVMW-MRXNPFEDSA-N 382.373 -0.361 5 20 GBBD CCCc1[nH]nc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] 264666276 KAOACBLNOFHISJ-UHFFFAOYSA-N 378.389 -0.167 5 20 GBBD CCN(CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 276442036 YDQRZRJHUPLOGW-UHFFFAOYSA-N 375.403 -0.026 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 276583913 OZJCYYWTGFWJIT-QMMMGPOBSA-N 386.342 -0.710 5 20 GBBD CNC(=O)CN1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 298386552 CQVLPCJTMLGKTO-UHFFFAOYSA-N 377.401 -0.349 5 20 GBBD O=C1[C@@H]2[C@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 349416289 HLXIRPYMBIGXAT-YPMHNXCESA-N 398.397 -0.339 5 20 GBBD NC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 423649188 PFICJAIQSKNPJP-ZDUSSCGKSA-N 389.412 -0.171 5 20 GBBD CN(C)CCn1ccc(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 448512081 XKFUAUVIQWZVBP-UHFFFAOYSA-N 389.416 0.520 5 20 GBBD COC(=O)CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 565202203 VYBLFIYFPRLJSG-SECBINFHSA-N 398.397 -0.334 5 20 GBBD CC[C@@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 598197087 NRNODLYAZMSKQJ-WZRBSPASSA-N 387.414 -0.394 5 20 GBBD COC(=O)[C@@](C)(NC(=O)Cn1ccc(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1 600525154 AEGNTCIKVPKKGL-KRWDZBQOSA-N 390.352 -0.340 5 20 GBBD Cn1cc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(=O)n(C)c1=O 735152014 WANYKZJAMXOUBV-CYBMUJFWSA-N 388.336 -0.046 5 20 GBBD Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 737298003 IBEVUUUNLBUTMY-UHFFFAOYSA-N 392.357 -0.215 5 20 GBBD O=CN1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 847371830 RBZGAWKJDBUAGB-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)CC1 917218544 RIOJOIVRKLTDQM-UHFFFAOYSA-N 378.385 -0.016 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1117894277 ZIMLVLBOBOYIFS-CQSZACIVSA-N 396.425 -0.023 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1258353720 JDWQMRHDXQQGFI-UHFFFAOYSA-N 386.430 -0.003 5 20 GBBD CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 1331024695 CPRXLIJHDZXGRQ-HNNXBMFYSA-N 389.412 -0.020 5 20 GBBD Cc1cc(C(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)ncc1[N+](=O)[O-] 1843517030 OUESAWFBZQXSTK-UHFFFAOYSA-N 386.372 -0.198 5 20 GBBD CN1N=C(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O 57404895 YNHRMDPBIFABCD-UHFFFAOYSA-N 383.386 -0.403 5 20 GBBD CC(C)NC(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 269056368 RZSSMDSUQKTSKA-LBPRGKRZSA-N 375.385 -0.120 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 299646582 USORVTZWEHKQMD-CABCVRRESA-N 399.425 -0.412 5 20 GBBD COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 410682179 IAAOHOOHAJFPLW-ZDUSSCGKSA-N 393.400 -0.488 5 20 GBBD C[C@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 423610286 QUORUKBIWNOKEK-ZDUSSCGKSA-N 389.412 -0.301 5 20 GBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H](CO)CN1CCOCC1 425290503 OUNYGFAUHFIZKK-ZDUSSCGKSA-N 381.385 -0.282 5 20 GBBD COCC1(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 451211523 VXVXGCSHROOBPM-UHFFFAOYSA-N 393.443 -0.029 5 20 GBBD CN(CC(=O)N[C@@H]1CCN(C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523138714 GERWRVOSYIQBIW-SNVBAGLBSA-N 385.402 -0.516 5 20 GBBD COc1nccc(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 554923492 XCXVNLKZSZGKBE-UHFFFAOYSA-N 396.385 0.493 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCNC1=O 590916655 LIUSDRDZWPWNJX-LLVKDONJSA-N 399.429 -0.302 5 20 GBBD O=C(NCC(=O)OCC(=O)N1CCNC1=O)NCc1ccc([N+](=O)[O-])cc1 748380940 XRCRMGWPSXKJGI-UHFFFAOYSA-N 379.329 -0.511 5 20 GBBD CCOC(=O)N1CCN(C(=O)COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 748499076 ZYJYAEQWJFZOIG-UHFFFAOYSA-N 396.356 -0.400 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)N(CCO)CCCO)cc1[N+](=O)[O-] 777963501 JPHHORHCXRPPAW-UHFFFAOYSA-N 389.386 -0.083 5 20 GBBD O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)NCCn1cc([N+](=O)[O-])cn1 823201163 BMUSLKLIZNWNKN-UHFFFAOYSA-N 387.364 -0.222 5 20 GBBD O=C(CN1C(=O)NC2(CCCC2)C1=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851328167 ZDSCNQMDHVLUEQ-UHFFFAOYSA-N 397.369 -0.341 5 20 GBBD NC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1802160809 XMHITFUGQUYMEI-YFKFIEJBSA-N 381.345 -0.941 5 20 GBBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1C 265032730 GMNMTPSNWAOKLZ-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 275218642 IIRBJHAQGATCRI-ZETCQYMHSA-N 390.326 -0.339 5 20 GBBD NC[C@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 364304576 MAXAWUTYMPAFED-DZGCQCFKSA-N 398.441 -0.066 5 20 GBBD CCN1CCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1=O 410719348 YPGGONJEGRDSCT-UHFFFAOYSA-N 378.389 -0.355 5 20 GBBD O=C(N[C@@H]1CCCNC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419843171 MHNRBTSRWIJTEP-LLVKDONJSA-N 395.441 -0.191 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2nnnn2c1 531812906 HZVXWEMAELYSNS-UHFFFAOYSA-N 391.369 -0.259 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 533083117 NHFXPPSBVXNOIR-ZDUSSCGKSA-N 384.414 -0.135 5 20 GBBD CS(=O)(=O)NC1(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 591723732 TZZKMHXUTKETBW-ZDUSSCGKSA-N 375.451 -0.006 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 611752919 NCFOARSQWLZEEW-SECBINFHSA-N 378.432 -0.253 5 20 GBBD COCCS(=O)(=O)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 732522578 AXXJDXGCNVXKJJ-UHFFFAOYSA-N 377.400 -0.122 5 20 GBBD CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 748918574 WEIFEBXDJPGRTJ-GFCCVEGCSA-N 380.357 -0.573 5 20 GBBD NC(=O)C[C@@H]1COCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 832751138 NDRKBJNIIJCPMG-MRXNPFEDSA-N 391.428 -0.180 5 20 GBBD C[C@@H](C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])n1nnnc1C(C)(C)C 861326868 QHDZBWJJZBZHPZ-ZETCQYMHSA-N 386.394 -0.322 5 20 GBBD CC(=O)N(C)CC(=O)NCCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1602919672 TUVQTEDTNXGIDK-UHFFFAOYSA-N 376.377 -0.194 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ccno1 1794738605 CROFRKBAAVDREC-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD CN1C(=O)C[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1=O 266102090 HWPYDYDKSCWUCH-LBPRGKRZSA-N 398.397 -0.215 5 20 GBBD CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC(C(N)=O)C(N)=O 269261696 YYUBFZZQEMQAHQ-SNVBAGLBSA-N 399.791 -0.542 5 20 GBBD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273423148 SOOFWUPXSCXTRK-YGRLFVJLSA-N 399.425 -0.240 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCOC[C@@H](O)C1 453818640 CQDAAHDCWQDWBR-JTQLQIEISA-N 381.341 -0.086 5 20 GBBD C[C@@H](CS(C)(=O)=O)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 500553071 KQMHUVGZPBGAPI-JTQLQIEISA-N 393.443 -0.188 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CCO)CCN1CCOCC1 513805536 RZJAJIDCVOBFLR-CQSZACIVSA-N 398.464 -0.020 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1COCCOC1 589869110 VCQOYQIVMOFFCE-UHFFFAOYSA-N 388.402 -0.412 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c1 593235605 JWEGYUUPFDHLOZ-GFCCVEGCSA-N 391.340 -0.092 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 596507119 UFVJSULQAKQXAI-UHFFFAOYSA-N 398.405 -0.770 5 20 GBBD Cn1cc(N2CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CC2=O)cn1 598604516 UIKNWWWDAMKHQQ-UHFFFAOYSA-N 388.388 -0.192 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1-c1nn[nH]n1 826499895 DAEQTNAPJKLMFJ-ZETCQYMHSA-N 382.280 -0.024 5 20 GBBD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 845680467 LXRLNIGDPDYHKV-CYBMUJFWSA-N 380.357 -0.573 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 1590748350 FELXMSQHWYHCOU-UHFFFAOYSA-N 375.345 -0.013 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787476699 KWUBZPRHHXAHLJ-NHCYSSNCSA-N 389.372 -0.052 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796405622 JLLZJLDCEGEEFG-IXLVHKGHSA-N 394.388 -0.954 5 20 GBBD COC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798690035 WJLKPJPFVWEMIQ-ILWJIGKKSA-N 380.361 -0.074 5 20 GBBD O=C(CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1)Nc1nncs1 265114650 LXFVELWXESETQQ-UHFFFAOYSA-N 380.390 -0.574 5 20 GBBD Cn1cc(S(=O)(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O 269685076 HETSTMANOBPGSW-GXTWGEPZSA-N 398.397 -0.595 5 20 GBBD Cc1nn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)c1[N+](=O)[O-] 511221307 FPTVVRQYFBLPPH-ZDUSSCGKSA-N 385.446 -0.261 5 20 GBBD CNC(=O)[C@@H]1CN(c2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])CCO1 541935000 FITRKOOUNAESMP-HZMBPMFUSA-N 394.384 -0.163 5 20 GBBD CNc1nccc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c1[N+](=O)[O-] 576051539 KYADADOSQTYMGF-UHFFFAOYSA-N 386.434 0.032 5 20 GBBD C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 592874145 SAUSFPIGDZWRNI-SNVBAGLBSA-N 399.429 -0.566 5 20 GBBD CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 596272901 WSFJTLZZROXPRV-UHFFFAOYSA-N 387.418 -0.043 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@H]2CC(=O)N(CCCO)C2=O)CC1 840738716 XDPMJSKHPYXZTE-NSHDSACASA-N 396.425 -0.076 5 20 GBBD COCC(COC)S(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 851503210 UIACWISLNAJGFJ-UHFFFAOYSA-N 389.386 -0.568 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1601383961 DHWHOJFAZWJJAE-MRXNPFEDSA-N 380.357 -0.856 5 20 GBBD COc1cc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)ccc1[N+](=O)[O-] 268254726 KYUQWXNMERPLKM-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 417287438 WQXQOQYAEYDHFC-UHFFFAOYSA-N 399.429 -0.743 5 20 GBBD COC(=O)C1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1 501429351 YFSBJDUYCWIJPE-UHFFFAOYSA-N 392.411 -0.007 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCCN2CCNC(=O)C2)cc1OC 510924741 ITSHGBGJBYVUOC-UHFFFAOYSA-N 396.400 -0.210 5 20 GBBD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cn2)C[C@@H](C)O1 525097171 VIOLYEYCZYQAII-GHMZBOCLSA-N 392.376 -0.343 5 20 GBBD Cn1c(=O)ccn(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)c1=O 551927552 LQOZPRGHFCZELG-UHFFFAOYSA-N 399.367 -0.373 5 20 GBBD CNc1nccc(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)c1[N+](=O)[O-] 566471122 SCLSWPJXCUIHPH-GFCCVEGCSA-N 394.432 -0.060 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(NS(C)(=O)=O)CCCCC2)n1 599212470 BAFFIRYMDGOHPH-UHFFFAOYSA-N 395.463 -0.141 5 20 GBBD CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1326253956 HZTPXDYAXIJUFU-GFCCVEGCSA-N 376.369 -0.079 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1328817488 SIBTWEWEPLDTOR-MRXNPFEDSA-N 375.429 -0.159 5 20 GBBD C[C@H](O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1589997313 WNJDBGVWHKVIJD-WPRPVWTQSA-N 384.374 -0.455 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1796082563 GCRFFLRBWJZENA-LMLFDSFASA-N 393.404 -0.838 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798008792 LVKRZDLVWKYTTQ-JJLQDPRZSA-N 392.416 -0.383 5 20 GBBD COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 271207974 XYAJRDHXBCKDDI-ZDUSSCGKSA-N 375.341 -0.052 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@]1(C(=O)OC)CCOC1 276280482 XPMGVOJHCBWXLQ-CQSZACIVSA-N 388.354 -0.008 5 20 GBBD CC(=O)N1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 282628648 FQCKTFVKNWUSBG-UHFFFAOYSA-N 398.441 -0.108 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N(C)CCC(N)=O)c([N+](=O)[O-])c2)CC1 286263570 FEWLGOJLVMEADG-UHFFFAOYSA-N 385.446 -0.158 5 20 GBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 289977983 RMTUXLAKFZPNIC-DYEKYZERSA-N 399.425 -0.034 5 20 GBBD C[C@@H](CCN)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420004627 ZIEHEYMOTZONME-LBPRGKRZSA-N 377.401 -0.267 5 20 GBBD Cn1cc(S(=O)(=O)NCCN2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 459512237 QEGBFYUZOSYUMC-UHFFFAOYSA-N 395.445 -0.176 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCN2C(=O)CCCC2=O)cc1[N+](=O)[O-] 531119201 VIHKSAXAEPDCBU-UHFFFAOYSA-N 392.368 -0.012 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 595130760 YEQBWRADZDGZSU-CMPLNLGQSA-N 387.370 -0.530 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN(CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] 603834882 BTBLUCFCURMBBV-UHFFFAOYSA-N 391.428 -0.135 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756238017 AEUWHJAHNIYZML-VIFPVBQESA-N 386.390 -0.257 5 20 GBBD C[C@@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 827562503 BEARSCCCFWOVNJ-VIFPVBQESA-N 395.415 -0.487 5 20 GBBD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839357081 WTAZXZHFEIVFOC-KRWDZBQOSA-N 396.375 -0.237 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CNCCO3)CC2)c([N+](=O)[O-])c1 262620539 NQJRVZCPWAOECV-OAHLLOKOSA-N 398.441 -0.365 5 20 GBBD C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1c1ncc([N+](=O)[O-])c(N)n1 264963661 OBQBJUVISXQFCX-SSDOTTSWSA-N 376.337 -0.038 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)c1 273136799 CIBSKZHBRQFCDA-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD NC(=O)[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 280670926 UEFLHYIYYUADLN-NEPJUHHUSA-N 386.386 -0.978 5 20 GBBD NC(=O)NC[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 294434990 FYUXZFSZQCJSMR-LLVKDONJSA-N 399.429 -0.078 5 20 GBBD CCN[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420176776 XPPWWPPOCLKARF-CYBMUJFWSA-N 391.428 -0.007 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 476137123 FNNLZOMFIQRAQB-UHFFFAOYSA-N 388.340 -0.100 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)C1 544640566 XMWKYLJXTUVSFV-JTQLQIEISA-N 391.427 -0.145 5 20 GBBD O=C(NCCCN1CCNCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 567598829 PJXNXSAQHZNQKU-UHFFFAOYSA-N 379.417 -0.499 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCc2nncn2C1 570990837 RKICBFSIMNROBV-LLVKDONJSA-N 394.413 -0.157 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 593792476 QNIMJKOEEZLWMB-GHMZBOCLSA-N 388.450 -0.023 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCO[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 599188626 UYICUSNTTXFFNY-PWSUYJOCSA-N 394.384 -0.033 5 20 GBBD NC(=O)CN1CCCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 731051461 NCNWYIJSJBFRBS-UHFFFAOYSA-N 397.819 -0.002 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NN1CC(=O)NC1=O 743287673 PBMCMWPEDSYCCM-ZETCQYMHSA-N 385.358 -0.378 5 20 GBBD CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)Cn1cc([N+](=O)[O-])cn1 744664216 XLJNKURBEJPAEC-UHFFFAOYSA-N 380.317 -0.117 5 20 GBBD C[C@H]1CN(C(=O)COC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCO1 801438989 RVWXUCLVRYNNAR-VIFPVBQESA-N 387.370 -0.354 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 917225205 MYMVXFPOHBVWSD-UHFFFAOYSA-N 393.400 -0.434 5 20 GBBD O=C1COC[C@]2(CNc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])COCCN12 1593400055 AJDWEBRCVFQHKG-HNNXBMFYSA-N 375.345 -0.185 5 20 GBBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1785525565 RVLUDPCHTRFGJL-QGZVFWFLSA-N 397.359 -0.583 5 20 GBBD CS(=O)(=O)NCCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 31218556 WAUQOFMPYYOANJ-UHFFFAOYSA-N 386.386 -0.624 5 20 GBBD COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 66236058 QBLKABSVGKQHEL-UHFFFAOYSA-N 376.343 -0.060 5 20 GBBD Nc1ncnc2c1ncn2CC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 271501487 HMVRIKBSKBXJJL-RISCZKNCSA-N 387.356 -0.473 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 273488569 OUYDPDHRFLAMTD-UHFFFAOYSA-N 386.386 -0.546 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 276458557 ICHRQVCGWACTOU-KGLIPLIRSA-N 385.398 -0.784 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 276507029 DGAZRQDBFORHMM-ZDUSSCGKSA-N 388.358 -0.616 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] 282611247 VFRFYUOPLFBQOB-LLVKDONJSA-N 385.398 -0.021 5 20 GBBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)N1CCS(=O)(=O)CC1 284131783 VMODGAGTKKJIKV-MRVPVSSYSA-N 388.377 -0.309 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 299395269 BHUOWFGWOSVCSH-UHFFFAOYSA-N 378.389 -0.561 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 371988126 ZPLGVRCITTXSQB-LBPRGKRZSA-N 399.429 -0.161 5 20 GBBD O=C(O)[C@@H]1C[S@@](=O)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 548258303 XYLCLSGAKYTPQJ-MYODQAERSA-N 376.412 -0.015 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O 579992554 CQXXOLVRDCBLEH-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD CCc1ccc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 580069504 HXUOLSAELNCUFU-UHFFFAOYSA-N 380.448 -0.169 5 20 GBBD COCCN(C)CCN1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 588878964 DIBJHOQKSWNVSQ-ZDUSSCGKSA-N 395.416 -0.948 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598609949 LRWZXCQUWCFGIG-LLVKDONJSA-N 386.434 -0.261 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CCO1 600230173 PHYLNEOHNRHPEH-BXUZGUMPSA-N 393.400 -0.131 5 20 GBBD CCN(CC(=O)NC(C)C)C(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748920515 KKLOLIZKMIBKDO-UHFFFAOYSA-N 382.373 -0.327 5 20 GBBD O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 750107663 SGAAFLWBDIZSEN-OWCLPIDISA-N 385.442 -0.284 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC(=O)N1CCOCC1 776718476 RMCGPHQYYNGGJJ-UHFFFAOYSA-N 381.341 -0.230 5 20 GBBD O=C(CO[C@@H]1CCCNC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 843405567 ZQOMKNJJNJEPDJ-CYBMUJFWSA-N 386.430 -0.242 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 918479699 SIQJPRZDZYRJJH-UHFFFAOYSA-N 377.400 -0.175 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1325801621 BDCVILZLWDEAJP-UHFFFAOYSA-N 391.428 -0.514 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[C@@H]2C1 1330499830 NLCPJRSKMRWLLS-NWDGAFQWSA-N 396.425 -0.142 5 20 GBBD CC(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1588843403 ZXYAMRSATAMLQE-UHFFFAOYSA-N 376.377 -0.194 5 20 GBBD Cn1cc(C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])CC2)nn1 1592564755 NWHYSGMJRCHSCX-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD Cn1cncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1794834139 WGRYFYWUNCFMBQ-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD N=C(N)NCC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1842882149 SWDVPFQYTWTWSN-DUXPYHPUSA-N 376.373 -0.113 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])c1 15035777 LPQSLZANSGAFGT-UHFFFAOYSA-N 395.401 -0.666 5 20 GBBD COC(=O)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C(=O)OC)C1 272771199 ZTHSBNBLBTWTOE-ZYHUDNBSSA-N 381.341 -0.290 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] 275051092 GTRSTJPZNMIVBX-UHFFFAOYSA-N 396.403 -0.399 5 20 GBBD COC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)O 276686539 CFQBRGHYNHYOJV-TVQRCGJNSA-N 389.386 -0.746 5 20 GBBD COc1ccc(S(=O)(=O)NCCOCCS(N)(=O)=O)c([N+](=O)[O-])c1 289048756 XXWLLDBHMLEUFD-UHFFFAOYSA-N 383.404 -0.813 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1[N+](=O)[O-] 440383834 NYBPRQXSQOROMT-SNVBAGLBSA-N 386.386 -0.179 5 20 GBBD COC(=O)COc1ccc(CN2CCN(CC(N)=O)C(=O)C2)cc1[N+](=O)[O-] 459718939 XTBOHISRVGWDGO-UHFFFAOYSA-N 380.357 -0.724 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 460992009 VGSMXFDHUFBVSU-UHFFFAOYSA-N 388.380 -0.043 5 20 GBBD NC(=O)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 467595375 QZYBLTJHBJZKDA-QMMMGPOBSA-N 383.386 -0.038 5 20 GBBD COc1ccnc(NNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 821903951 OOPBCSZURDOSGI-UHFFFAOYSA-N 393.345 -0.121 5 20 GBBD Cn1cc(C(=O)COC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)nn1 845107593 NCSRLXUIEASBQS-UHFFFAOYSA-N 376.329 -0.051 5 20 GBBD CO[C@@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C[C@H]1O 849396511 ITAUYXHDUQKSNG-CHWSQXEVSA-N 387.370 -0.068 5 20 GBBD CNC(=O)CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1321900414 SDWVOKPSCKATGE-UHFFFAOYSA-N 377.401 -0.114 5 20 GBBD CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1783952247 GPJONEZYQSYRPW-MXAVVETBSA-N 395.416 -0.458 5 20 GBBD CN(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786717228 ULWUYOKRBRSKRG-AVGNSLFASA-N 394.432 -0.137 5 20 GBBD O=C(Cn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1795849159 DJSKNVGXRBIKSK-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD O=C(CN1CCOC1=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998641 DJEBYMNPNAOHOA-UHFFFAOYSA-N 392.372 -0.553 5 20 GBBD O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 14101389 KGXKBTHWQXMEKW-UHFFFAOYSA-N 398.441 -0.240 5 20 GBBD Cc1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(N)c([N+](=O)[O-])c1 264260155 SZKJQHBJPUIOBT-JTQLQIEISA-N 384.414 -0.091 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 371004084 KCGGFRFGFKRHRL-SECBINFHSA-N 396.381 -0.659 5 20 GBBD O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O 424372251 WFMZSWRWXOFZDM-JTQLQIEISA-N 382.347 -0.394 5 20 GBBD CCN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 455407079 LYZKZTDGNPJGHO-NSHDSACASA-N 399.429 -0.207 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]12 490845532 GXRPWOMHHGVJFU-VHSXEESVSA-N 391.340 -0.445 5 20 GBBD Cn1cnnc1COCC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 563630013 IPBYEPFDLJQGQD-UHFFFAOYSA-N 386.372 0.411 5 20 GBBD CNc1nccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1[N+](=O)[O-] 594306417 QBXYCYZNFLPQTD-JDNHERCYSA-N 376.373 0.482 5 20 GBBD COc1ccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] 595128641 IJVPLGJBGGOQQY-BXKDBHETSA-N 387.370 -0.530 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 596747378 GCDPKUDLUZICBS-YPMHNXCESA-N 399.429 -0.367 5 20 GBBD COC(=O)COCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 803801166 GDAMBLURGNTGPR-UHFFFAOYSA-N 395.368 -0.024 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 824002676 DJVRGOJWKPZGJN-UHFFFAOYSA-N 386.434 -0.124 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CNC(=O)CNC(C)=O 918759573 KLMRRBYFSZBHEU-VIFPVBQESA-N 396.356 -0.274 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1344988681 DTOJPHSZFQCYEJ-KRWDZBQOSA-N 376.369 -0.092 5 20 GBBD NC(=O)[C@@H]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 52392157 QWQIRXIMQLPBPK-LLVKDONJSA-N 384.414 -0.073 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 276458559 ICHRQVCGWACTOU-UONOGXRCSA-N 385.398 -0.784 5 20 GBBD COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 293070929 XRYHNJLOVMGYRL-FZMZJTMJSA-N 391.336 -0.284 5 20 GBBD CCN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 455409102 NMPSJGARFLYKFK-NSHDSACASA-N 399.429 -0.207 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CCN(C(=O)CO)CC2)c([N+](=O)[O-])c1 502169037 PVJXHKNDLMTIPY-NSHDSACASA-N 394.384 -0.473 5 20 GBBD O=C(CN1C(=O)NC2(CCNCC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 579470296 DNWJIABQNYMAAR-UHFFFAOYSA-N 391.340 -0.064 5 20 GBBD COC(=O)c1[nH]c(=N[C@H]2C[C@@](C)(O)C2)[nH]c(=N[C@H]2C[C@@](C)(O)C2)c1[N+](=O)[O-] 596272523 RUPMZPNFNYGGGC-FMGMFIGGSA-N 381.389 -0.334 5 20 GBBD CN(CCOC(=O)c1ccc([N+](=O)[O-])n1C)S(=O)(=O)N1CCOCC1 731291889 FQQLXVDPMDWOFW-UHFFFAOYSA-N 376.391 -0.401 5 20 GBBD O=[N+]([O-])c1cnc(NCCNS(=O)(=O)c2cccnc2)c(-c2nn[nH]n2)c1 823651969 UHRAPDQVJGHTFL-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD O=C(O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 826461144 HXFYTBSJOJURIL-MRVPVSSYSA-N 384.330 -0.751 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356662 BPJAGVBNCKWYNK-ADGXKJENSA-N 394.384 -0.084 5 20 GBBD CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795547767 GKVGEQLQGPZQIV-BJUWDHJGSA-N 394.432 -0.106 5 20 GBBD CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(SC)c([N+](=O)[O-])c1 9550509 NDCNFWAEDLZCOA-UHFFFAOYSA-N 377.400 -0.116 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 31672182 RLEHSILQYSSRJF-UONOGXRCSA-N 399.425 -0.049 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@]1(C(=O)OC)CCOC1 273452740 CUNSMUOFSPMMEC-CQSZACIVSA-N 388.354 -0.008 5 20 GBBD NC(=O)C1=NO[C@@H](CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 276233657 KAWOSYOZQROZAX-MRVPVSSYSA-N 381.370 -0.468 5 20 GBBD COCCN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 280806330 QSHAPOSGUQAVHL-UHFFFAOYSA-N 376.369 -0.019 5 20 GBBD NC[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCO1 423159946 YYNCYGOAGXZFPC-INIZCTEOSA-N 391.428 -0.180 5 20 GBBD C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 423718862 LVIQCAHSGPTTJI-LBPRGKRZSA-N 377.401 -0.315 5 20 GBBD Cc1c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cccc1[N+](=O)[O-] 424442936 WWGLAPVHTIJJCO-NSHDSACASA-N 385.354 -0.448 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCNC2=O)CC1 596643037 RHPRFAHLRYRXHG-CYBMUJFWSA-N 396.425 -0.128 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 598029238 QUNKNPIGFTYKTO-NWDGAFQWSA-N 397.365 -0.881 5 20 GBBD CC(C)(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O 609725414 ILPQHRYUCYULFT-UHFFFAOYSA-N 393.443 -0.188 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCO[C@@H](c2nn[nH]n2)C1 731855085 QOPWMIQDICVYIF-GFCCVEGCSA-N 389.328 -0.567 5 20 GBBD CC(C)c1[nH]nc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1[N+](=O)[O-] 771393757 VQQXKCWOSMVASQ-UHFFFAOYSA-N 375.407 -0.167 5 20 GBBD CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 820966635 FTKULMKTLGJMTO-MRVPVSSYSA-N 381.374 -0.326 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 845439953 WLBIMQOWXNBQRZ-UHFFFAOYSA-N 395.397 -0.065 5 20 GBBD COCC(COC)S(=O)(=O)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 851497602 CDYVAAWALBXANY-UHFFFAOYSA-N 399.385 -0.104 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1117956023 QZANXNBKCODQNJ-CQSZACIVSA-N 396.425 -0.023 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1328427987 XDJOMWYLDLUBNG-UKRRQHHQSA-N 391.380 -0.138 5 20 GBBD Cn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n1 1779383563 RZSLADGJFGZIMX-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 1790213537 XVBRYQREHZGMOJ-HERUPUMHSA-N 395.368 -0.796 5 20 GBBD COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795355538 GVQCZHVSQLDGEE-GNXNZQSNSA-N 397.388 -0.816 5 20 GBBD CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-])C(=O)O 1796849917 JPCCRJFWZHSNEF-LMLFDSFASA-N 394.388 -0.368 5 20 GBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)ccc1[N+](=O)[O-] 1801837814 UIDRQKLDHCLCKZ-DRXBFXEBSA-N 378.385 -0.235 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 265376817 ZBPWKMCLTYFFSH-SECBINFHSA-N 386.386 -0.308 5 20 GBBD O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 267072243 QXBIXHTXCYVTPE-LLVKDONJSA-N 390.443 -0.371 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O 269131619 IRTDJSNACIDNCH-MRVPVSSYSA-N 388.789 -0.421 5 20 GBBD O=C(CNC[C@@H]1CCCO1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 269254539 OJETVUPBBMFLBV-ZDUSSCGKSA-N 386.430 -0.242 5 20 GBBD CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O 283039667 PYUXXTHIIGMHCG-CYBMUJFWSA-N 384.414 -0.048 5 20 GBBD NS(=O)(=O)c1cccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1 427798344 OCUWPVCXLSOFGX-UHFFFAOYSA-N 375.388 -0.583 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)O1 470234182 UBSZFUSMZSGNQR-STQMWFEESA-N 379.373 -0.457 5 20 GBBD CCn1cc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)c([N+](=O)[O-])n1 548545160 ZLWGMKHDALVNED-MRVPVSSYSA-N 375.363 -0.977 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cnc[nH]2)cc1 585230613 YCSSUTHWVDXYKP-UHFFFAOYSA-N 375.388 -0.425 5 20 GBBD CC(C)(C)OC(=O)CN1CC[C@@H](n2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1=O 594888721 CHIHRPSOFMDEKR-LLVKDONJSA-N 380.357 -0.030 5 20 GBBD CN(C)S(=O)(=O)N1CC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 599182983 UAHJQBDHYNRGAS-UHFFFAOYSA-N 379.420 -0.855 5 20 GBBD NC(=O)C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 600682461 OINKPLCWBLZIPU-SECBINFHSA-N 376.325 -0.706 5 20 GBBD C[S@@](=O)CCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609742809 FKPQQNRWYKESBG-XMMPIXPASA-N 392.459 -0.059 5 20 GBBD CC[S@](=O)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 733961419 STTAGDJQELOZTB-DEOSSOPVSA-N 392.459 -0.071 5 20 GBBD CN(C)C(=O)c1cccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 734973360 MYUUHXYWJJIKPV-UHFFFAOYSA-N 381.370 -0.002 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 839211882 RNOBCUVZTHNXBN-UHFFFAOYSA-N 375.385 -0.456 5 20 GBBD COC(=O)CCS(=O)(=O)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 842360814 UAHITYKIXLVJMF-UHFFFAOYSA-N 376.343 -0.009 5 20 GBBD O=C(O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 852958939 URRASSWFEUEHMB-HTRCEHHLSA-N 394.266 -0.691 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 857712100 FGNLRZOFHUCKFY-UHFFFAOYSA-N 388.402 -0.106 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@H]3C(=O)OC[C@H]3C2)c([N+](=O)[O-])c1 863765943 HNBLTMYVMZYQOL-MWLCHTKSSA-N 398.397 -0.324 5 20 GBBD CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](CO)C1 879003359 YRPIFKSCRVYBHK-KRWDZBQOSA-N 377.445 -0.148 5 20 GBBD O=C(N[C@H]1CCS(=O)(=O)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1262492273 DIFGFVDZYQJIPD-JTQLQIEISA-N 383.382 -0.512 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1=O 1318449842 BWPJZEPSZCSHCC-UHFFFAOYSA-N 389.368 -0.340 5 20 GBBD O=[N+]([O-])c1ccc([C@H](O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1319846177 SHHPNOIIAVDZHD-ARFHVFGLSA-N 385.442 -0.596 5 20 GBBD COC(=O)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C(=O)OC)C1 1320804275 HLXPKBMFYVSVGS-GHMZBOCLSA-N 381.341 -0.290 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1781239458 GNAVFJCPLJWXRM-BDJLRTHQSA-N 380.357 -0.234 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)c1ccc([N+](=O)[O-])o1 1792356084 JMLLGXKZSMDMGE-ONQKKCPMSA-N 394.384 -0.886 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)NCCc2ccccc2[N+](=O)[O-])n(C)c1=O 266047034 MVHNSEXOASVKQH-UHFFFAOYSA-N 386.368 -0.299 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1[N+](=O)[O-] 273036933 GSWCVHBOKPUANW-LBPRGKRZSA-N 378.385 -0.315 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 283663653 ZJHUTLRKISPHJU-UHFFFAOYSA-N 378.432 -0.326 5 20 GBBD CN(C)S(=O)(=O)NCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 289042663 XNDNSJJOZYHCJL-UHFFFAOYSA-N 380.448 -0.547 5 20 GBBD COCCNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 298116350 RLBGSZWKKYFLQI-UHFFFAOYSA-N 395.401 -0.238 5 20 GBBD CC[C@@H](C)[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)NCCN1CCOCC1 520367016 BOKLIECDRUYCFE-OCCSQVGLSA-N 397.436 -0.834 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 548572474 XETVZRHOERPEAG-SSDOTTSWSA-N 384.413 -0.081 5 20 GBBD O=C(NC[C@H]1COCCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 560247589 WAFODZBUGKNJMQ-ZDUSSCGKSA-N 378.385 -0.225 5 20 GBBD NC(=O)Cn1cc(NC(=O)C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cn1 564616271 ALUKIVHDAFLVSN-UHFFFAOYSA-N 388.340 -0.364 5 20 GBBD Nc1nccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] 565194494 LLQREXWDTYBXAN-NSHDSACASA-N 399.429 -0.161 5 20 GBBD CCNS(=O)(=O)CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 731835295 YASSMTCXHSEPMU-UHFFFAOYSA-N 388.402 -0.611 5 20 GBBD O=C(C[C@H]1NC(=O)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O)N1CCOCC1 776278339 TUHMWMOCIYLZRD-KGLIPLIRSA-N 392.368 -0.203 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 778852837 KSSJTGKSLLAJEE-NSHDSACASA-N 392.324 -0.443 5 20 GBBD O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1(n2cnnn2)CCOCC1 850736334 NSMMWVPYYPXQDP-UHFFFAOYSA-N 396.385 -0.267 5 20 GBBD CN(Cc1nncn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1604826635 GNENXXYNSMLORO-UHFFFAOYSA-N 379.362 -0.276 5 20 GBBD CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717372 JRYNHQRWZDOWEU-KRWDZBQOSA-N 394.384 -0.767 5 20 GBBD COc1cc(CC(=O)N2CCCC23CN(C(=O)C(O)O)C3)ccc1[N+](=O)[O-] 1845147264 UYEZFDMOZLMZCV-UHFFFAOYSA-N 379.369 -0.340 5 20 GBBD C[C@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1846381360 MCESYOSPIDLXJY-OAHLLOKOSA-N 395.372 -0.249 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CC[C@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1 52392765 MLBXQOPAIBWCSL-LBPRGKRZSA-N 397.457 -0.158 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264172210 KDCFVUDFXGORAE-GFCCVEGCSA-N 399.429 -0.219 5 20 GBBD CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 269787483 XRCSDVJDZMVLIF-AWEZNQCLSA-N 375.403 -0.043 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O 299631393 IUZIVRMLCWNARE-BMLIUANNSA-N 389.368 -0.134 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2nncn2C1 367931343 XRDJAARJEHLJDV-LLVKDONJSA-N 394.413 -0.157 5 20 GBBD COC[C@@](C)(O)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 452784446 WFNSNXXMYQAZQE-AWEZNQCLSA-N 375.403 -0.223 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCOC)c([N+](=O)[O-])n1 485935380 VCDWJJVYJOIQAK-GHMZBOCLSA-N 378.407 -0.090 5 20 GBBD C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 498494438 MOTRPDZXDORDCH-LBPRGKRZSA-N 393.400 -0.243 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 513304938 LTGIPVRYDUVIQX-UHFFFAOYSA-N 391.427 -0.284 5 20 GBBD Nc1c(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc(F)cc1[N+](=O)[O-] 564727392 YWLXNWFMAMVCGC-UHFFFAOYSA-N 387.393 -0.625 5 20 GBBD COc1ccc(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)cc1[N+](=O)[O-] 572005833 PLWTVGRXOOPUOP-UHFFFAOYSA-N 389.372 0.137 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 577003233 OAHAXEYABTXQED-LBPRGKRZSA-N 386.430 -0.290 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)C1 593274023 GCPHZGANSXJGSU-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593574134 LNHFTOHBTSTFCG-VIFPVBQESA-N 379.420 -0.816 5 20 GBBD NC(=O)c1cc(N2CCN(C(=O)CN3CCOCC3)CC2)ccc1[N+](=O)[O-] 596066446 PSIJVTFNHMMZAG-UHFFFAOYSA-N 377.401 -0.326 5 20 GBBD O=C(c1cnn(C[C@H](O)CO)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 597264010 JJIQKDSVTKBNJX-OCCSQVGLSA-N 376.373 -0.134 5 20 GBBD CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 817762027 OECKBBMNOSSYFV-AWEZNQCLSA-N 389.412 -0.020 5 20 GBBD CC(C)(O)CONC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 824337138 DLCMVBOPYWGBLX-UHFFFAOYSA-N 376.391 -0.125 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)Cn2nc(C)n(C)c2=O)cc([N+](=O)[O-])c1C 847619027 WLVBOFJWFJGTBY-UHFFFAOYSA-N 383.386 -0.080 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1261323233 ALYDJFBKEKBYFI-AWEZNQCLSA-N 396.425 -0.370 5 20 GBBD O=C(O)[C@@H](CN1CCOCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 1329671705 HVJBSSXGTMIJJR-CQSZACIVSA-N 387.414 -0.158 5 20 GBBD C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H](CO)O1 1590311252 BFKXDMYJFOMYNB-IUCAKERBSA-N 384.374 -0.455 5 20 GBBD Cc1nn(C)c(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)c1-c1nn[nH]n1 1606110231 PCSNFRTZMGVKIZ-UHFFFAOYSA-N 387.364 -0.498 5 20 GBBD CN1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000543 MRAWPYDQEMNGFD-ZDUSSCGKSA-N 390.400 -0.385 5 20 GBBD C[C@@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 23755286 RSWZKQRNWZOJFX-JTQLQIEISA-N 385.402 -0.516 5 20 GBBD COCC(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 46003543 JVGLNERQIQPJSM-UHFFFAOYSA-N 390.352 -0.492 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 265376822 ZBPWKMCLTYFFSH-VIFPVBQESA-N 386.386 -0.308 5 20 GBBD CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265628904 MIRLAVMNDXVAST-LLVKDONJSA-N 384.414 -0.061 5 20 GBBD Cc1cc(C(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)c(N)c([N+](=O)[O-])c1 273249105 VXMYKEUYHOGJPG-UHFFFAOYSA-N 395.401 -0.250 5 20 GBBD CCOC(=O)[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 280134103 PDYTYRNWOHSQNA-LLVKDONJSA-N 385.354 -0.148 5 20 GBBD COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC 293903913 FXQBOOJXGQPJRS-SNVBAGLBSA-N 375.359 -0.823 5 20 GBBD CCNC(=O)CN1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 299365831 ULPWFWFYBRNJCG-UHFFFAOYSA-N 385.446 -0.110 5 20 GBBD NCC(F)(F)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 417683885 VOCYVISJMCBHHX-UHFFFAOYSA-N 381.361 -0.234 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O 425080431 DURLTVJGQWRRNC-JTQLQIEISA-N 376.325 -0.416 5 20 GBBD O=C1CCC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])N1 434143346 SKBXVFSESFNCJM-LLVKDONJSA-N 399.429 -0.159 5 20 GBBD NS(=O)(=O)CCN1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 471017630 GDAFNPHDBZUJRN-UHFFFAOYSA-N 397.457 -0.610 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)nn1 472699246 MSEAZFUPQURIIE-UHFFFAOYSA-N 377.292 -0.554 5 20 GBBD CS(=O)(=O)N1CCC(CS(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 477480929 YKEPABSWMAEIBU-UHFFFAOYSA-N 395.463 -0.618 5 20 GBBD CS(=O)(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 518916803 WIJQCCYPQLWOCW-JTQLQIEISA-N 388.402 -0.152 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 531591140 GDDLNTLPEOZCNG-OLZOCXBDSA-N 378.389 -0.146 5 20 GBBD O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(O)(CO)C1 597706644 ZVLRSYUXDZKUCO-AWEZNQCLSA-N 399.425 -0.296 5 20 GBBD COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 600321506 SQDPKGCUYPXLNP-CMPLNLGQSA-N 381.341 -0.290 5 20 GBBD CCS(=O)(=O)NCCOC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 731692127 ZRJWEXGIKQIRCZ-UHFFFAOYSA-N 389.386 -0.184 5 20 GBBD COc1ccc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nn[nH]n2)cc1[N+](=O)[O-] 821769777 KVZRTYPSCLWXQP-UHFFFAOYSA-N 387.316 -0.125 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 822894797 GKSWQMMBXXYSGW-MRVPVSSYSA-N 383.394 -0.821 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(CCO)c2)c1-c1nn[nH]n1 823648335 UYVYTOLECNMCLR-UHFFFAOYSA-N 380.346 -0.236 5 20 GBBD O=C(CO[C@H]1CCCNC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 843442255 NJGYXMHGHGSOBF-LBPRGKRZSA-N 386.430 -0.242 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 846965755 QNJULIYWZJXNPY-UHFFFAOYSA-N 380.452 -0.619 5 20 GBBD O=C(O)CNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 918146755 LHAMJZSDKZGHFO-UHFFFAOYSA-N 396.175 -0.164 5 20 GBBD COC[C@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1579750277 SJKSDDXODHIHIJ-JTQLQIEISA-N 384.374 -0.189 5 20 GBBD CN(CCn1cnnc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591123652 QIGAYTNHXHBQMG-UHFFFAOYSA-N 379.362 -0.313 5 20 GBBD CC[C@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788812594 JFXRAVJYTPWTTN-MNXVOIDGSA-N 394.432 -0.091 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnco1)C2)c1n[nH]cc1[N+](=O)[O-] 1798008939 QXGNQQCLVHJAKE-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD C/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839813495 MQNVIICKYXVDJY-WOMSROEHSA-N 379.373 -0.036 5 20 GBBD NC(=O)NCC(=O)N1CCCC12CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1847110224 DZAIAJCVBGHUNK-UHFFFAOYSA-N 377.357 -0.214 5 20 GBBD Cn1ncc2c(N3CCN(C(=O)Cn4cc([N+](=O)[O-])ccc4=O)CC3)ncnc21 22357801 XWCPAROPYCWDSG-UHFFFAOYSA-N 398.383 -0.218 5 20 GBBD CN1CCN(C(=O)C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CC1 269085414 FKEJIXQEIVKLIP-UHFFFAOYSA-N 393.448 -0.013 5 20 GBBD CC(C)[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(N)=O 274373857 DZOALHAQSPNUPJ-GFCCVEGCSA-N 387.418 -0.318 5 20 GBBD Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(N)c([N+](=O)[O-])c1 274689934 PKTNDOHHQSWUDJ-KBPBESRZSA-N 398.441 -0.599 5 20 GBBD CO[C@H]1COC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 291149756 JNDQBYXJBPOACM-JQWIXIFHSA-N 388.402 -0.414 5 20 GBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 489209029 ZDHSATDHXWHVRW-NSHDSACASA-N 389.434 -0.159 5 20 GBBD CC(=O)c1cn(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)nn1 593670677 YAFPGGARLDVATR-UHFFFAOYSA-N 384.356 0.560 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598898281 QIJYXSFGRGRURE-LLVKDONJSA-N 385.402 -0.134 5 20 GBBD CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCO1 599385082 YAEWMTZQFPAUMB-LLVKDONJSA-N 388.402 -0.078 5 20 GBBD CN(CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1CC1 609736802 NDWCKISFNLJPGG-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD Cc1c(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 610926747 LHNJSLAOQPCTFL-HZMBPMFUSA-N 386.430 0.000 5 20 GBBD CC(=O)NCC(=O)NCC(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731512762 GNYZPPQKNWFWEG-ZDUSSCGKSA-N 378.341 -0.504 5 20 GBBD COC(=O)CN(CC(=O)O)C(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 737605142 OQUGXJRVXGAYQA-QMMMGPOBSA-N 393.308 -0.335 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)[C@H]2CCOC2)cc1[N+](=O)[O-] 802083297 HBVGORKZHHQJIK-VIFPVBQESA-N 378.384 -0.153 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 850606052 OFXVZWBEOMAPRX-GXSJLCMTSA-N 389.361 -0.091 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 1347105416 PCIZPZFXPNXPMZ-CQSZACIVSA-N 394.432 -0.522 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784720566 RUQDFYHTCQKDOI-BZNIZROVSA-N 379.373 -0.202 5 20 GBBD C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1799288309 FXDYCLNFKWPFEG-NJBDSQKTSA-N 379.373 -0.739 5 20 GBBD C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCOCC1 8633111 IDXNBQILIYIZPO-JTQLQIEISA-N 391.336 -0.019 5 20 GBBD Nc1nc(N)nc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 17284338 MAGDEKGFWDICDX-UHFFFAOYSA-N 394.417 -0.549 5 20 GBBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCC(N)=O)c([N+](=O)[O-])c1 18475167 SZWIAMHOUWFMKN-UHFFFAOYSA-N 388.402 -0.394 5 20 GBBD CCN1C[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 69411354 BXDGFBSCGUIMBZ-NSHDSACASA-N 384.414 -0.142 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 325483414 LQUBIDCYHKLTRJ-SNVBAGLBSA-N 378.384 -0.143 5 20 GBBD CN(CC(=O)O)[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1O 435698966 VQWSUXVINSBTPX-LSDHHAIUSA-N 389.368 -0.018 5 20 GBBD CN(Cc1nnnn1C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 466840873 IYYCGHWTVUEXFX-UHFFFAOYSA-N 383.390 -0.603 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 537748186 JHVZPRCWUJNGGD-SECBINFHSA-N 381.436 -0.487 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 594826837 PGVFRCCFPQQBNK-GXSJLCMTSA-N 380.400 -0.306 5 20 GBBD NCc1cc(O)nc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 595275563 OFIYRCBJULXNIK-UHFFFAOYSA-N 388.388 -0.024 5 20 GBBD CN(C)S(=O)(=O)N1CC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 599185780 SZUJNYGCOVJIEL-UHFFFAOYSA-N 379.420 -0.855 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@@H](CO)[C@H](CO)C1 600017421 MIOFHBXHYJTXQW-QWRGUYRKSA-N 395.368 -0.246 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1cn(C)c(=O)n(C)c1=O 735208559 ZRKXCSLALQQISJ-UHFFFAOYSA-N 382.354 -0.581 5 20 GBBD CN(CC(=O)O[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739175093 UBNCRRKRGZUUBD-NSHDSACASA-N 392.411 -0.054 5 20 GBBD NC(=O)CN1CCC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 748359703 HTUZFBGQTVKKKG-UHFFFAOYSA-N 392.416 -0.540 5 20 GBBD Cn1c(=O)ccn(CC(=O)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c1=O 762738808 LJVWCXZHVFEBGP-UHFFFAOYSA-N 396.381 -0.856 5 20 GBBD O=C(CN1CCCS1(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 770772511 KRLZIBUTLNUFKR-UHFFFAOYSA-N 381.363 -0.426 5 20 GBBD CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)CCO1 833397547 SFXSBTHMLGGHSK-LLVKDONJSA-N 387.370 -0.181 5 20 GBBD O=C1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CN1C1CC1 1593398992 MIEQJRMRYFHKGK-UHFFFAOYSA-N 379.358 -0.272 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)[C@@H]1CCOC1 1791755334 PPVGASWXNOCLMA-OPDFLTKYSA-N 393.400 -0.052 5 20 GBBD CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793075866 WDJMHIVGXBMBCB-IQOUGMIPSA-N 381.389 -0.462 5 20 GBBD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c3c2OCO3)C1 1844757938 CEDKPOMFUSRLRZ-NSHDSACASA-N 391.384 -0.574 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1C[C@H](C(=O)O)CC1=O 274953771 IFMARMHKWAQHOB-SECBINFHSA-N 387.370 -0.185 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 275003280 HETRZOQKLOZDRM-UHFFFAOYSA-N 385.398 -0.023 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cc1[N+](=O)[O-] 277189156 DATVOQQOQFOHJG-QMMMGPOBSA-N 391.314 -0.021 5 20 GBBD O=C(CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCC1 299608017 IWWXSPSNLGQTHT-UHFFFAOYSA-N 391.428 -0.087 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 409794022 UDJSBIJEOBVWQP-ZJUUUORDSA-N 395.463 -0.193 5 20 GBBD O=C(O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 414635174 ZPWPXGVHFDOESK-JTQLQIEISA-N 386.386 -0.011 5 20 GBBD CC(C)N1C(=O)C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O 434384847 FKCREXWHQALPNM-NSHDSACASA-N 390.352 -0.028 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 447032779 ASDRSVNYGOKSKX-UHFFFAOYSA-N 384.292 -0.425 5 20 GBBD CN1CCC[C@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O 498874448 QGNUUBDBCIQUQI-LBPRGKRZSA-N 378.389 -0.308 5 20 GBBD COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)OC 542241312 WLUVWVLINCJZOK-JTQLQIEISA-N 376.343 -0.152 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 598029194 PZGFDFWFTYFAOR-MFKMUULPSA-N 381.370 -0.283 5 20 GBBD CN(CCCNC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)S(C)(=O)=O 603895860 DWZCEVAGRUCBSF-UHFFFAOYSA-N 397.413 -0.298 5 20 GBBD CCCS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 604465214 HSYIULOOHQVYKC-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD Cn1nnnc1COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 733418804 XWWGYNLJWPIUNK-UHFFFAOYSA-N 390.765 -0.207 5 20 GBBD NC(=O)NCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 736108043 SJPCJDZUTBUPOL-CYBMUJFWSA-N 399.429 -0.078 5 20 GBBD NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810370626 JCBWAIIONTUCMH-UHFFFAOYSA-N 395.191 -0.300 5 20 GBBD N=C(N)SCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1795506238 HLCZDGCDJMUUGR-YFKFIEJBSA-N 396.429 -0.247 5 20 GBBD O=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]cc2[N+](=O)[O-])=NN1 1798686919 AVOFHEBJHUOPCX-AYMMMOKOSA-N 375.345 -0.554 5 20 GBBD NCC(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1807028985 LHYXLOJBHIZPEC-SUMWQHHRSA-N 387.400 -0.149 5 20 GBBD CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825850 VGDHTNJJIJQTCP-MRXNPFEDSA-N 380.357 -0.418 5 20 GBBD C[C@H](C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)n1cncn1 1846597898 DJSQBDSJZRBRDX-GFCCVEGCSA-N 388.388 -0.153 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 116433827 DGQGENAXAJALGF-UHFFFAOYSA-N 394.340 -0.803 5 20 GBBD O=C(Cn1ccnn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 267295067 DELWLRDOGRUDTH-UHFFFAOYSA-N 380.386 -0.281 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1c(N)cccc1[N+](=O)[O-])C2 375502828 XAUIMSAINMLCSM-UHFFFAOYSA-N 389.372 -0.721 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)NC)C2)c([N+](=O)[O-])n1 532853591 KDTIIYRZEONHET-VIFPVBQESA-N 381.436 -0.487 5 20 GBBD O=C(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCN([C@@H]2CCNC2)CC1 570674098 XTMGZBNCJSUQPF-OAHLLOKOSA-N 387.440 -0.014 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 592476550 IYNALWHTJFGPTC-BXUZGUMPSA-N 386.430 -0.162 5 20 GBBD NCC12CC(CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C2 595966936 SPVZEUMFCHMWOO-UHFFFAOYSA-N 383.430 -0.006 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCS(=O)(=O)CC1 610102764 OOXPEMOATQDEBL-UHFFFAOYSA-N 399.381 -0.048 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](CC(N)=O)C1 858822052 WFRFZEUOIISKGL-NSHDSACASA-N 388.402 -0.143 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)CC1 917216562 MFRIWBZPLDRCOQ-UHFFFAOYSA-N 378.385 -0.016 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N3CC(O)(C(=O)O)C3)cc2[N+](=O)[O-])CC1 1603026245 UQQUONUSHRQOKI-UHFFFAOYSA-N 392.368 -0.465 5 20 GBBD C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1789878235 YNEADJVDJCGGKB-ZPFDUUQYSA-N 394.388 -0.954 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCCS1(=O)=O 147870609 YZQSCYYUBMZARE-UHFFFAOYSA-N 384.414 -0.134 5 20 GBBD C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)N1CCS(=O)(=O)CC1 264132232 IVATVSJLZYXTSQ-MRVPVSSYSA-N 388.377 -0.309 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCN(CCO)CC1 273516926 PIVXODLBYXNFFD-UHFFFAOYSA-N 394.384 -0.169 5 20 GBBD COC(=O)Cn1cc(CCN2C(=O)c3cc([N+](=O)[O-])ccc3S2(=O)=O)nn1 289575377 QUHPEYGXVVIPBT-UHFFFAOYSA-N 395.353 -0.254 5 20 GBBD CNS(=O)(=O)c1ccc(N(C)[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 291791348 IXEFCELFRBFAEK-JTQLQIEISA-N 392.459 -0.027 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)O)cc1[N+](=O)[O-] 416466210 PSGZTADMFQIXDS-HQJQHLMTSA-N 376.343 -0.418 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1Cc2nnc(O)n2C[C@H]1C(=O)O 424390723 KZDBGZJOOBYHKQ-VIFPVBQESA-N 383.342 -0.142 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O 541114023 SXVMPQBPSGYTBI-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD C[C@]1(c2ccc(CNC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)NC(=O)NC1=O 567891451 GHQANUPULDCPMH-RHSMWYFYSA-N 388.384 -0.003 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCn2nncc2C1 575428448 VGKXWRVQURUJFJ-UHFFFAOYSA-N 395.401 -0.310 5 20 GBBD Cc1nc(CN2CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CC2)n[nH]1 598609956 LUZJZZVSBPEFSY-UHFFFAOYSA-N 389.420 -0.030 5 20 GBBD Cc1nn(C)c(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 609881065 UJOOYAOSFVHQOR-LBPRGKRZSA-N 380.405 -0.700 5 20 GBBD COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)Cn1cnc([N+](=O)[O-])n1 748867824 DJEQQSJDRUPQMQ-YHYXMXQVSA-N 385.358 -0.291 5 20 GBBD Nc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 772987633 GLLXLFJSRVIBOA-ZIAGYGMSSA-N 384.414 -0.907 5 20 GBBD C[C@@]1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC(=O)N1 1325641585 YEPGPQBNSIZZRM-KRWDZBQOSA-N 376.369 -0.031 5 20 GBBD Cc1ccc(Cn2c(=O)c(-c3nn[nH]n3)c(C)n(CCO)c2=O)cc1[N+](=O)[O-] 1592171973 TYPKRMVVSNJFOT-UHFFFAOYSA-N 387.356 -0.244 5 20 GBBD CN1CC[C@H](C(=O)OCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])S1(=O)=O 1604849246 GVHQBULQZKTFDU-LLVKDONJSA-N 382.358 -0.148 5 20 GBBD COC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1802700135 IJOLAKOWDMMTCA-ILWJIGKKSA-N 380.361 -0.074 5 20 GBBD COc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)ccc1[N+](=O)[O-] 1843350891 LHGHOVUJZICTJW-LBPRGKRZSA-N 377.401 -0.294 5 20 GBBD CCN(C)C(=O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 274882511 ZUZSDAPWQWCGDC-UHFFFAOYSA-N 387.418 -0.361 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 297143319 IIRBJHAQGATCRI-SSDOTTSWSA-N 390.326 -0.339 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(S(N)(=O)=O)CC1 359876161 TUQKRLOWTKMGPH-UHFFFAOYSA-N 394.431 -0.497 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@H]2C1 377143549 VFKGVGLVCJLWRM-LBPRGKRZSA-N 391.384 -0.425 5 20 GBBD C[C@H](CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)S(N)(=O)=O 437066443 ZESYDULKUAGYAQ-SNVBAGLBSA-N 384.414 -0.121 5 20 GBBD Cn1cnc(CCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 446499211 VOXWQWOTVIOXJI-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N(CCO)CCCO 462102099 ABMIOMJVLQVQLQ-UHFFFAOYSA-N 389.430 -0.203 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 472710506 UXFDPKNHHFIEEM-AWEZNQCLSA-N 384.364 -0.176 5 20 GBBD CC(C)[C@@H](C(=O)O)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 478991084 MUCLLHGCJQPHGJ-RISCZKNCSA-N 380.357 -0.417 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1 484868848 ZGGJJEVOWAHUKK-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD CNC(=O)Cn1cc(NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1 533462102 JVEPYJAJDUDRCC-UHFFFAOYSA-N 390.356 -0.329 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 823541273 NQWMEOKDSZIVGR-MRVPVSSYSA-N 394.373 -0.827 5 20 GBBD C[C@]1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC(=O)N1 1325641589 YEPGPQBNSIZZRM-QGZVFWFLSA-N 376.369 -0.031 5 20 GBBD O=C(N[C@H]1C[C@H](C(=O)O)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1601575461 FRKPIWSWBFOLMW-XYPYZODXSA-N 377.357 -0.382 5 20 GBBD CCN1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O 1604336256 PQXHCLOKEWQSBA-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1844386112 JIPROIQWVLJNQW-ZDUSSCGKSA-N 393.400 -0.109 5 20 GBBD COCCN(CCO)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 271839881 ZBSOYIBRGDUUML-UHFFFAOYSA-N 375.403 -0.317 5 20 GBBD CNC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CCO1 276308243 DUAVBBIRRJOUKC-LLVKDONJSA-N 387.370 -0.483 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 277713392 MVKSEUDJSHJDNG-UHFFFAOYSA-N 391.431 -0.170 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 283116702 YLSPZRGNJXMKDC-NSHDSACASA-N 384.414 -0.061 5 20 GBBD COc1ccc(C(=O)NCC(=O)N(C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] 299212626 GXYKPQUWSSORJS-UHFFFAOYSA-N 394.384 -0.350 5 20 GBBD CNC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 531453732 NVHGFDOBHGNPNE-ZWNOBZJWSA-N 384.414 -0.001 5 20 GBBD CN(C)CCOCCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 544342822 XVVJYSYMMSHEGP-UHFFFAOYSA-N 388.446 -0.090 5 20 GBBD C[C@@H](N)C[C@@H](C)NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 563537601 UDYJEVNWHIEGTR-GHMZBOCLSA-N 386.430 -0.273 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)CN2CCC1CC2 570815291 VRAJGBIMAYUWPA-GOSISDBHSA-N 391.428 -0.033 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 590986136 XSDLXLPKGMNALM-ZDUSSCGKSA-N 389.412 -0.020 5 20 GBBD CS(=O)(=O)NC1(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCCC1 591723731 TZZKMHXUTKETBW-CYBMUJFWSA-N 375.451 -0.006 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 598030379 UWWPNEGODVBHAI-GWCFXTLKSA-N 399.381 -0.752 5 20 GBBD O=C(COC(=O)Cn1ccc(O)nc1=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 729831479 MKJSZJPMYFHGQM-UHFFFAOYSA-N 392.280 -0.232 5 20 GBBD C[C@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)Nc1ccccc1[N+](=O)[O-] 733565788 VQFUMVZYNKOTBS-QMMMGPOBSA-N 378.297 -0.114 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733567259 XMRWVLMOKQOKJM-UHFFFAOYSA-N 378.297 -0.194 5 20 GBBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NC(=O)N[C@H]1CCS(=O)(=O)C1 916467151 PSMWRSNSZPCSOS-JTQLQIEISA-N 385.354 -0.236 5 20 GBBD COC(=O)CCN1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 1117561881 GDEJOELBICURAH-GFCCVEGCSA-N 396.404 -0.997 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 1117605165 WAYHRBFXCXAKJY-LBPRGKRZSA-N 392.416 -0.043 5 20 GBBD CCN(CC)C(=O)N1CCN(c2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)CC1 1122956590 UYBZWSHCYUAVCU-UHFFFAOYSA-N 392.424 -0.053 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cnc(O)[nH]1 1798181316 CBSYKPXIFHNSIC-AKZRSSKFSA-N 391.344 -0.736 5 20 GBBD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273487 PSSOYFQMOUBNFY-QGZVFWFLSA-N 394.384 -0.671 5 20 GBBD CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839830341 GROASUCYHHHESL-MRXNPFEDSA-N 395.372 -0.633 5 20 GBBD CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1841134516 DRTMXBHQKPDGHG-UHFFFAOYSA-N 379.377 -0.594 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)n1 1843585396 DWWVPKQBCKLMBO-UHFFFAOYSA-N 391.388 -0.702 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1CCCS1(=O)=O 61598366 PFGSHMNUGPFRQA-UHFFFAOYSA-N 398.397 -0.528 5 20 GBBD CC1(C)C(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264205123 VJWBFGQONJRMFR-UHFFFAOYSA-N 399.429 -0.219 5 20 GBBD O=[N+]([O-])c1ccc(OCCN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 270830925 CTQSCCKJXFXUKN-JKSUJKDBSA-N 385.442 -0.251 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 273356806 PZFHABDTFQPLIL-STQMWFEESA-N 388.446 -0.160 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 274945482 RROUJPFKLVHKGY-JTQLQIEISA-N 396.374 -0.305 5 20 GBBD Cn1cnn(CCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O 293150215 KROGOOOMBBGVNB-UHFFFAOYSA-N 388.384 -0.135 5 20 GBBD NC1(CNC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCC1 420097748 WAGDVEJCMLXWBE-UHFFFAOYSA-N 395.441 -0.062 5 20 GBBD CCOC(=O)CNC(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 441121846 KNOGXZJKIADTIL-AWEZNQCLSA-N 383.405 -0.457 5 20 GBBD CS(=O)(=O)C1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 452070232 ODWSIYNPMWPFGT-UHFFFAOYSA-N 378.384 -0.217 5 20 GBBD CC(=O)N1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 472511312 CJLLPMXTNPVXHA-LBPRGKRZSA-N 399.429 -0.207 5 20 GBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 485901245 ZARHLYUHLIFIFP-LLVKDONJSA-N 389.434 -0.159 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 531966382 JKVNRPPCMGJZND-AWEZNQCLSA-N 397.457 -0.015 5 20 GBBD COc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)cc1[N+](=O)[O-] 542999572 GALNRIQUQGQCFX-KRWDZBQOSA-N 396.400 -0.259 5 20 GBBD CN1C(=O)C[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 573576997 MJLGAZPDJVBLQO-NSHDSACASA-N 384.370 -0.911 5 20 GBBD NC(=O)c1ncn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 593068739 NTFVDOJKKVTGQP-UHFFFAOYSA-N 387.356 -0.730 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C 619874463 HFMCJOXJPNZKCG-LBPRGKRZSA-N 397.388 -0.603 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] 746127464 JOAMMINZRBRRMS-SECBINFHSA-N 388.402 -0.065 5 20 GBBD O=C(O)c1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc([N+](=O)[O-])c1 766882945 GOJGUJVSTUONSB-UHFFFAOYSA-N 387.370 -0.315 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1606647065 DDTDGHZHIQZFBC-UHFFFAOYSA-N 386.372 -0.298 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)c([N+](=O)[O-])n1 1777009338 WZOJXLWFLJGAQX-SECBINFHSA-N 389.390 -0.445 5 20 GBBD COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378034 BHTHJIGXFCEZTN-HNNXBMFYSA-N 383.361 -0.620 5 20 GBBD CN[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 262559007 QHMKVRROHOBYJY-AWEZNQCLSA-N 396.429 -0.317 5 20 GBBD Cn1cc(N2CC[C@H](NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cn1 265419933 WZDKRJRLAWGZAP-AWEZNQCLSA-N 386.368 -0.020 5 20 GBBD CN(CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1[N+](=O)[O-] 266269268 GXAYCMSCZBNEFJ-UHFFFAOYSA-N 388.388 -0.612 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 299694111 OCIYMQGDMSZVAB-MRVPVSSYSA-N 395.759 -0.644 5 20 GBBD NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 418924074 OLPSONIOTBIRPB-CQSZACIVSA-N 391.428 -0.433 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H](C)CN1 423650023 KGPSZTHYRLWFJO-STQMWFEESA-N 376.417 -0.153 5 20 GBBD O=C(O)c1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 563229149 AORYFKYMDLSPDL-UHFFFAOYSA-N 393.399 -0.393 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)C1 563954405 DVAGRFYNOFVZRW-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD CNc1nccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[N+](=O)[O-] 594306416 QBXYCYZNFLPQTD-FVMDXXJSSA-N 376.373 0.482 5 20 GBBD COC(=O)CN(CC(=O)O)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 737606383 YRFTUNYGLSECJM-UHFFFAOYSA-N 379.281 -0.723 5 20 GBBD CN(CC(=O)OCCNS(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738675368 YYYSMTJYUVDCFA-UHFFFAOYSA-N 395.415 -0.692 5 20 GBBD Cc1nnc2n1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C2 822519825 MMKZLDRCOXYGFK-UHFFFAOYSA-N 391.373 -0.121 5 20 GBBD O=C(c1cnsn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383057 KHTOJGKAJJSJOZ-AWEZNQCLSA-N 393.385 -0.073 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795529005 YJVFIIKNYRFKMQ-CULMDFNYSA-N 378.385 -0.229 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)NC(N)=O)CC1 30571182 XDPCOPPJGKDYFN-UHFFFAOYSA-N 399.429 -0.205 5 20 GBBD O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 31449946 GUIYYSUOEKCCJG-LLVKDONJSA-N 382.398 -0.294 5 20 GBBD CCCn1cnc2c1c(=O)n(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c(=O)n2C 174753425 WTYXSIBVRCXQSV-LLVKDONJSA-N 377.361 -0.528 5 20 GBBD CC[C@H](C)[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCCN1CCOCC1 264791188 UPRSMYOVMRFNAK-XJKSGUPXSA-N 396.448 -0.229 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN(C(=O)[C@H](C)O)CC2)c([N+](=O)[O-])c1 270769725 GQAPVOZDNPYLMX-NSHDSACASA-N 394.384 -0.473 5 20 GBBD NC(=O)N[C@H]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 273593630 UYUGZRRTFNWPGK-JTQLQIEISA-N 385.402 -0.179 5 20 GBBD C[C@]1(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCOC1=O 292471237 MVVRJVXSBXDOLF-AWEZNQCLSA-N 386.386 -0.134 5 20 GBBD NC(=O)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 376696938 RQJWIZDJCCTNRZ-NSHDSACASA-N 399.429 -0.220 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C2CC2)C1 422031215 YWOPCZDROSMYFD-UHFFFAOYSA-N 382.398 -0.089 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)[C@H]1CCCO1 468672596 YRLAUIQOFQQTMC-UONOGXRCSA-N 387.414 -0.081 5 20 GBBD CS(=O)(=O)N1CCC(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 533580993 QUGDEQDCHFETFW-UHFFFAOYSA-N 378.432 -0.060 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)[C@@H]1CCCOC1 544660100 NEUVYPCLTUJCLA-LLVKDONJSA-N 393.443 -0.029 5 20 GBBD Cn1ccnc(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)c1=O 544702450 SWYHQQBBZZVTKK-UHFFFAOYSA-N 394.413 -0.338 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](CNC(=O)NC)C1 600230274 RVWDYMKGFYAQME-NEPJUHHUSA-N 397.436 -0.016 5 20 GBBD COCCNC(=O)[C@@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 729044998 QISZNEPAASDJJO-SECBINFHSA-N 379.325 -0.115 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](CO)C(=O)O)cc2[N+](=O)[O-])CC1 736133974 ICKRHRWMUIWRHD-LBPRGKRZSA-N 380.357 -0.561 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 776713174 HOWVRUGSHKSONW-LBPRGKRZSA-N 392.411 -0.349 5 20 GBBD COCCNC(=O)Cn1cc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cn1 821691001 DYEGBZZAVVUOMJ-UHFFFAOYSA-N 388.348 -0.127 5 20 GBBD C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)S(C)(=O)=O 824426746 HGRLKEPYDVPIFP-ZETCQYMHSA-N 390.403 -0.514 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](CO)O1 839212446 WZGRYBDBFFFQOI-CZUORRHYSA-N 392.412 -0.148 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc([N+](=O)[O-])ccc1N 857725817 CMRZSAPAUHXYPW-CABZTGNLSA-N 391.340 -0.515 5 20 GBBD C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1320010224 PQNPDGZBZUUWNY-AWEZNQCLSA-N 391.428 -0.088 5 20 GBBD CN(CCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(=O)Cn1cnnn1 1579140409 GAWXKLPTFKXWKX-UHFFFAOYSA-N 387.364 -0.644 5 20 GBBD CC[C@@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788812591 JFXRAVJYTPWTTN-FMSGJZPZSA-N 394.432 -0.091 5 20 GBBD CCC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788814060 VCGPBQWTXASMJQ-KWBADKCTSA-N 379.373 -0.110 5 20 GBBD COC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008629 CZPWMCOHZMHKBN-KQXIARHKSA-N 381.389 -0.196 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 275090351 KDABLPJKXKJLMQ-SECBINFHSA-N 396.374 -0.004 5 20 GBBD C[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC(=O)NC1 281835900 LEHCGHZFSRKRMO-OAHLLOKOSA-N 384.414 -0.094 5 20 GBBD Cc1cc(S(=O)(=O)NCC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 414466881 HTHBLEWGHMTNEX-UHFFFAOYSA-N 386.430 -0.370 5 20 GBBD CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416475841 VYZDJKAFMKAANV-UHFFFAOYSA-N 381.388 -0.791 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 445041464 YZNTWPIDOAUFIN-UWVGGRQHSA-N 395.463 -0.050 5 20 GBBD CCn1cc(S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)c([N+](=O)[O-])n1 532853746 MMVHZWZBNUZOND-UHFFFAOYSA-N 395.463 -0.191 5 20 GBBD CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 555559810 SPHCYTDDWIBMKQ-MRVPVSSYSA-N 379.416 -0.205 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 600311859 YMKCOPYNSQYUDR-NSHDSACASA-N 384.356 -0.411 5 20 GBBD CN(C)CCN(CC(=O)O)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 739607710 ZPSYEXMYQOTXKR-UHFFFAOYSA-N 378.341 -0.334 5 20 GBBD O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 785213554 ZWZRFVZXEBIINL-JTQLQIEISA-N 381.732 -0.051 5 20 GBBD C[C@@]1([C@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)NC(=O)NC1=O 820612819 KECWECCOVLVDAB-AYVTZFPOSA-N 387.360 -0.016 5 20 GBBD O=C(CC1(n2cnnn2)CCOCC1)OCCn1cc([N+](=O)[O-])ccc1=O 850233929 ZMICIUOFBXKEDC-UHFFFAOYSA-N 378.345 -0.118 5 20 GBBD O=C(CC1(n2cnnn2)CCOCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 850730984 GYSYGWRJVFODSP-UHFFFAOYSA-N 396.385 -0.018 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(=O)N(C)C1CC1 1348656937 ACIGMUSTTVRYCG-UHFFFAOYSA-N 384.414 -0.048 5 20 GBBD O=C(COC(F)F)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1609529779 IHJDUZNMNNRANS-UHFFFAOYSA-N 378.273 -0.181 5 20 GBBD C[C@](O)(CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C(=O)O 1776462397 VYLJIAZSKZRSDD-ZDUSSCGKSA-N 389.342 -0.335 5 20 GBBD O=C(Cn1cncn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277047 ROTCELYIJJGISG-CLLJXQQHSA-N 388.388 -0.279 5 20 GBBD O=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)CN1 1794277904 HACTXYCJUFIIEN-FVCCEPFGSA-N 390.400 -0.434 5 20 GBBD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC2(CCCN2C(=O)C(O)O)C1 1841236540 PVSTUXOMQSQBMZ-UHFFFAOYSA-N 375.341 -0.401 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[n+]([O-])cc1 1848165841 LNNNYXOFPNIBGC-GJZGRUSLSA-N 386.368 -0.060 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 266932393 NMVRRKIHHIGZOF-JTQLQIEISA-N 393.443 -0.330 5 20 GBBD CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 273351131 PEYLTZKYPJABPE-OAHLLOKOSA-N 387.458 -0.007 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 298703087 FSSWEAKQNGMRNG-UHFFFAOYSA-N 394.384 -0.302 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cnc1N 410175764 UPXSWKSMHAZBAK-UHFFFAOYSA-N 380.405 -0.565 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)C[C@@H]2CNCCO2)c([N+](=O)[O-])c1 429676840 LSSDERKEJQAAIU-LLVKDONJSA-N 386.430 -0.095 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)c([N+](=O)[O-])c1 499766397 QVYQMHFVXMOJEB-LBPRGKRZSA-N 386.430 -0.290 5 20 GBBD CN(CC(=O)N1CCCO[C@@H](CN)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 569360903 ZWSVYHFRVDLNID-ZDUSSCGKSA-N 386.430 -0.209 5 20 GBBD CCc1[nH]nc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 572439964 LOVIATNWXDFEJB-LBPRGKRZSA-N 394.432 -0.115 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](CO)O1 574046574 PWXNXNIDNDHUDZ-OCCSQVGLSA-N 393.400 -0.753 5 20 GBBD NC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 584737532 NNMQHECOBGGDAR-UONOGXRCSA-N 396.425 -0.061 5 20 GBBD COc1cc(C(=O)NS(=O)(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC 750731663 NOOURIYDUNHNBW-UHFFFAOYSA-N 375.359 -0.081 5 20 GBBD CCN1CCN(CC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)C1=O 916754779 MSCUWMRYXXWCLO-UHFFFAOYSA-N 384.370 -0.910 5 20 GBBD O=C1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)CN1 1783166635 ZOHJJNGQVCIZRK-APPDUMDISA-N 391.384 -0.498 5 20 GBBD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788814171 XNZUYMBZUMHZBM-GVXVVHGQSA-N 394.388 -0.953 5 20 GBBD N=C(N)SCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795504688 BBCSFKCDBFOBPH-DIYOJNKTSA-N 397.417 -0.852 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011193 ZFKPFVZJBGGOFC-PTEHBNRSSA-N 387.356 -0.375 5 20 GBBD CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389037 KHNODQUIBYEATN-VIFPVBQESA-N 379.377 -0.418 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)C1 32438276 NVDVTZBEAYMSQH-JTQLQIEISA-N 391.427 -0.434 5 20 GBBD CO[C@@H](CN)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262907959 QIIUSNUOOMIAOR-CYBMUJFWSA-N 386.430 -0.209 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 272866016 JQKNBOGFHNHAEP-SNVBAGLBSA-N 386.386 -0.308 5 20 GBBD C[C@H](C[S@](C)=O)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 273097530 NXRYIEXCOIVQKM-ZZDSUILFSA-N 392.459 -0.061 5 20 GBBD CC(C)[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 274440536 XKVAGSITLBLYSI-GFCCVEGCSA-N 387.418 -0.318 5 20 GBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCS(=O)(=O)CC1 298765328 MAMLSSQYGMTVBZ-UHFFFAOYSA-N 384.414 -0.829 5 20 GBBD O=C(NC[C@@H]1CNCCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 420205730 SBCHDKUOCTUSRQ-ZDUSSCGKSA-N 377.401 -0.652 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H]1N 423754372 ZMYRIFPEPRVJQX-OCCSQVGLSA-N 389.412 -0.315 5 20 GBBD COc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1[N+](=O)[O-] 442266213 JOYIIYUFISLNPX-LLVKDONJSA-N 380.357 -0.359 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)c(F)c1 551576885 VKPHYGJCIORHPZ-UHFFFAOYSA-N 382.391 -0.048 5 20 GBBD O=C(CN1CCN(C(=O)C(=O)O)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 568095964 MQQKQBXGAADHHY-UHFFFAOYSA-N 380.313 -0.509 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 590819883 ZEHXSOHAZGBZIP-UHFFFAOYSA-N 398.445 -0.098 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 591584724 RAVFAASXHCGXGA-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596168117 KZWDZVCRKURIQH-CYBMUJFWSA-N 397.457 -0.015 5 20 GBBD Cn1cc(C(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O 735897036 FBTZHYZAQZRJRJ-UHFFFAOYSA-N 391.340 -0.640 5 20 GBBD CNC(=O)c1ccc(CS(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 797326573 FONAYKLNIMWKRY-UHFFFAOYSA-N 381.370 -0.203 5 20 GBBD O=C(O)C1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS(=O)(=O)CC1 833176754 VVJFFCVYDVAYNW-GFCCVEGCSA-N 388.398 -0.044 5 20 GBBD COCC1(O)CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 849395788 LMYGUHAMXLMMGU-UHFFFAOYSA-N 387.370 -0.067 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O 1323905649 NBPYKOBOEGPJGQ-LBPRGKRZSA-N 382.421 -0.789 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O 1347343982 BAYCMHMZQFUNHV-CQSZACIVSA-N 392.416 -0.043 5 20 GBBD O=C(c1cc(O)no1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779677474 IBLFGAORJXRWPK-HNNXBMFYSA-N 392.328 -0.231 5 20 GBBD CCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786502603 UJVDXGXKKJHTQL-SRVKXCTJSA-N 381.389 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011182 XGKYPEWWWDNQPS-PTEHBNRSSA-N 387.356 -0.375 5 20 GBBD O=C1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)CN1 1801671743 RRRRKBUWYLPSBB-RVMXOQNASA-N 390.400 -0.434 5 20 GBBD O=C(NCCN1CCOCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273320293 PCWUJGIHLUVNEY-UHFFFAOYSA-N 386.430 0.000 5 20 GBBD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 282076186 LFBMRSLSKAMWQD-QMTHXVAHSA-N 384.414 -0.144 5 20 GBBD COCCN1CC[C@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 286672129 RXCGAAGFBFHMCI-NSHDSACASA-N 390.400 -0.076 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 436960819 ROJKHDOLSFMHBI-UHFFFAOYSA-N 390.352 -0.266 5 20 GBBD CCn1ncnc1CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 474181237 FNLDJTAWUJNJND-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O 498835110 FNEMSZHQLLPPNO-HNNXBMFYSA-N 389.412 -0.020 5 20 GBBD CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 596202023 PMYWPXGEUMUHPV-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] 603877320 YBQPEWFNTWJVEF-UHFFFAOYSA-N 394.384 -0.269 5 20 GBBD Cc1nn(C)c(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 609522378 FJUXBFYOULHEDA-ZDUSSCGKSA-N 394.432 -0.358 5 20 GBBD Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1[N+](=O)[O-] 753679835 TTWATNQLEROOCJ-UHFFFAOYSA-N 381.374 -0.558 5 20 GBBD CNC(=O)[C@H]1CN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 781576444 GAHITSUCLDTWSO-CYBMUJFWSA-N 377.357 -0.232 5 20 GBBD CN(CC(=O)OCC(=O)c1cnn(C)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 791917373 VXAQELGDVZEVTB-UHFFFAOYSA-N 397.369 -0.230 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O 1323009747 CWNONEXZWAYMTJ-JTQLQIEISA-N 385.398 -0.266 5 20 GBBD CN1CC(=O)N(CC(=O)OCc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1=O 1591166868 ZCNPASJJJSVEFR-UHFFFAOYSA-N 375.301 -0.288 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1609538048 NSZUHOPSTZFQJA-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD CCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-] 1776947106 XJTHLRROLJARHI-UHFFFAOYSA-N 395.415 -0.099 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383433 MFTPCIZZWSHTSK-QLJPJBMISA-N 394.388 -0.727 5 20 GBBD CC(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801688333 HLTJCRMAORTZSW-BTTYYORXSA-N 392.416 -0.044 5 20 GBBD CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825849 VGDHTNJJIJQTCP-INIZCTEOSA-N 380.357 -0.418 5 20 GBBD CNc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 9924635 DCHHMXXIEFSNRE-UHFFFAOYSA-N 391.340 -0.344 5 20 GBBD CS(=O)(=O)CCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265247449 IUAIKXJUGGJFIJ-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCn1cncn1 265308566 LDISESYJLRYMTM-UHFFFAOYSA-N 383.390 -0.536 5 20 GBBD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273423137 SOOFWUPXSCXTRK-HZMBPMFUSA-N 399.425 -0.240 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 416513275 VNFDCJUMSZAVMH-WPRPVWTQSA-N 388.354 -0.337 5 20 GBBD CC(=O)N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 422158929 NJHUUWWEAFVKGD-GFCCVEGCSA-N 399.429 -0.207 5 20 GBBD CCN(CC)CC(=O)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 484735549 XTYFXZBSJMXYCW-UHFFFAOYSA-N 379.417 -0.231 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 507683744 LUZKPCUZWGGSEF-NSHDSACASA-N 384.414 -0.048 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 547863225 YTPQINBGNNQFFW-UWVGGRQHSA-N 375.428 -0.428 5 20 GBBD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 577654930 PXDVYCFRNNRYHU-SNVBAGLBSA-N 375.407 -0.170 5 20 GBBD NC[C@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 595931137 VTLXGODYRGBFDL-GXTWGEPZSA-N 398.441 -0.209 5 20 GBBD NC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 609459810 PDDXITKMNXNYLL-UHFFFAOYSA-N 382.398 -0.307 5 20 GBBD CS(=O)(=O)CCS(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O 776536019 FXQZTIQKBRBDLD-JTQLQIEISA-N 380.400 -0.446 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(C(=O)CO)CC1 778403484 XNFFMSBZRQOTNJ-UHFFFAOYSA-N 381.341 -0.542 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)COCC(=O)O)c([N+](=O)[O-])c1 844245885 AQTCCELDJDPPEZ-UHFFFAOYSA-N 375.359 -0.372 5 20 GBBD CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590821687 YNOOJFMIGHSPGI-PSASIEDQSA-N 384.374 -0.143 5 20 GBBD O=C(O)CN1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 1602061941 AJOVGQOIVAYLFJ-UHFFFAOYSA-N 387.370 -0.243 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1779395927 SDNKDQRQJAJDEM-ZKAWZIJESA-N 391.384 -0.346 5 20 GBBD O=C1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]cc2[N+](=O)[O-])N1 1798685706 AVTCKXRWKTZSCJ-LMLFDSFASA-N 376.373 -0.152 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 273003641 PXIZSJPAQLKLDJ-ZDUSSCGKSA-N 378.341 -0.035 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 468652121 GHBUANIHIUJXRD-GFCCVEGCSA-N 378.341 -0.867 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC[C@@H]2CS(=O)(=O)CCO2)ccc1[N+](=O)[O-] 542086406 ZPVGJYRMOUGOJG-GFCCVEGCSA-N 385.398 -0.437 5 20 GBBD COC(=O)[C@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OC 561973613 DBJYPZOQBWOTGF-LBPRGKRZSA-N 389.386 -0.433 5 20 GBBD Cn1nnc2c1CC[C@H](NC(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 594138875 VQIFADSHTASYBY-VIFPVBQESA-N 384.352 -0.007 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 600311848 YMKCOPYNSQYUDR-LLVKDONJSA-N 384.356 -0.411 5 20 GBBD CN1CCN(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609548612 PDXQODGBBFWQOG-UHFFFAOYSA-N 385.446 -0.763 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 748117137 DXEDNHMUTSLNAZ-GHMZBOCLSA-N 386.386 -0.630 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@@H]2COCCO2)cc1[N+](=O)[O-] 837317557 LOSZCKOOHBJBLH-JTQLQIEISA-N 389.386 -0.127 5 20 GBBD CC(C)C(=O)N1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1323615771 LFLJXSJDYAPIOB-UHFFFAOYSA-N 380.405 -0.376 5 20 GBBD CC(=O)NCC(=O)N1CCCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1573509267 IWLIDRAKLMSMLT-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)[C@@H]1CCCOC1 1802072042 ITTUKCDEPYNVLJ-FVCCEPFGSA-N 393.400 -0.052 5 20 GBBD NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1835551082 ACYWIEFOSKDNOA-QGZVFWFLSA-N 396.375 -0.237 5 20 GBBD NC(=O)NCCCCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66346602 DEUGFKOFDLRCRA-UHFFFAOYSA-N 387.418 -0.172 5 20 GBBD CS(=O)(=O)NCCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 265962133 XVFLDXYIFGNQNX-UHFFFAOYSA-N 399.429 -0.389 5 20 GBBD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCn1cc([N+](=O)[O-])cn1 269103440 ACQLWEPRUKAKHH-HNNXBMFYSA-N 394.432 -0.379 5 20 GBBD C[C@@H](CO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272920007 ZZCBQUIIXOGDBU-WZRBSPASSA-N 387.414 -0.537 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C(=O)O)C[C@@H]1C(N)=O 275075441 HRGYGXPSMQCUKT-WCBMZHEXSA-N 387.370 -0.057 5 20 GBBD C[C@@]1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC(=O)NC1 281741662 FDCSCCQAVCZXID-OAHLLOKOSA-N 384.414 -0.094 5 20 GBBD CN(C)C(=O)COC1CN(S(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])C1 414332913 FGTXGSQMWSTDRI-UHFFFAOYSA-N 387.370 -0.229 5 20 GBBD Cc1c(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 469962527 KQHLIOXGECUYQB-SECBINFHSA-N 391.427 -0.142 5 20 GBBD CCNC(=O)CN1CCCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 532536016 XSNVVUHZYIQCNS-UHFFFAOYSA-N 388.450 -0.356 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC([C@@H](O)C(=O)OC)CC2)c([N+](=O)[O-])n1 533174085 IIRRNTJOWWAWQJ-LLVKDONJSA-N 376.391 -0.254 5 20 GBBD COCc1nc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(C)n1 596425613 SNBIRFQPWUNOEG-UHFFFAOYSA-N 398.401 -0.422 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 598031462 XDWIPNOTTUPYFP-STQMWFEESA-N 381.370 -0.283 5 20 GBBD O=C(NC[C@H]1COCCN1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 599962593 STEXANGVPVHNIQ-ZDUSSCGKSA-N 377.401 -0.652 5 20 GBBD CO[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 615925260 HJPHFWCWXOVMPF-CQSZACIVSA-N 388.402 -0.125 5 20 GBBD CS(=O)(=O)CCNC(=S)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 729157617 BUKGJDAEAMWAEI-UHFFFAOYSA-N 382.445 -0.703 5 20 GBBD O=C(CN1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1)N1CCCC1 1319375135 AJIDNOUBWLNDBC-UHFFFAOYSA-N 391.428 -0.087 5 20 GBBD O=C(O)c1cc(C(=O)NC[C@]23COCCN2C(=O)COC3)cc([N+](=O)[O-])c1 1602246571 HKMUJYYPHIZONK-MRXNPFEDSA-N 379.325 -0.349 5 20 GBBD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792352825 NDNKHELPBXBZCG-KEODLESXSA-N 380.357 -0.473 5 20 GBBD COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795133871 UQGPMMXZCVXRNJ-WDAIWFPHSA-N 395.372 -0.526 5 20 GBBD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798749481 UASABVNHXQQIKS-DYNIEEOBSA-N 379.373 -0.739 5 20 GBBD O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1799337859 INMWWFBKKYNDDZ-QHBPRCKVSA-N 382.373 -0.865 5 20 GBBD CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792693 AOKAMJPSMRPPSP-MLGOLLRUSA-N 397.388 -0.841 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)c1 1847446588 IGVNXTRMLCIGFJ-KBPBESRZSA-N 378.385 -0.213 5 20 GBBD O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 274953792 IFRQXEFSPMLWCC-LBPRGKRZSA-N 385.398 -0.010 5 20 GBBD CCN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCNC1=O 282140648 JIEOMOAUMUKSEB-LBPRGKRZSA-N 399.429 -0.219 5 20 GBBD C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 284091874 SAMRAJWVSGSFLJ-NSHDSACASA-N 390.400 -0.076 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 428589748 XUWNOBKCWYZHQM-SNVBAGLBSA-N 399.429 -0.267 5 20 GBBD COc1cccc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1[N+](=O)[O-] 565303058 QGAPDOWHVJMKDN-UHFFFAOYSA-N 384.414 -0.337 5 20 GBBD NS(=O)(=O)CC1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 589112965 HUEYRZKCYHOYQI-UHFFFAOYSA-N 378.432 -0.253 5 20 GBBD NC(=O)[C@@]1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOC1 847053377 KLFMQKDNHLDGMT-QGZVFWFLSA-N 377.401 -0.523 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccccc2[N+](=O)[O-])CC1 917219019 ZNZBIZHGTMOZMR-UHFFFAOYSA-N 378.385 -0.016 5 20 GBBD CCN(CCO)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1325532072 CYLPBWCJNKHWOV-UHFFFAOYSA-N 378.385 -0.280 5 20 GBBD CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1340596240 WQPGACOTLQDYLK-UHFFFAOYSA-N 386.430 -0.001 5 20 GBBD CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1591201426 DCQJQMAHLQZNGB-UHFFFAOYSA-N 395.401 -0.078 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1779388735 GJERDXWRKFBAFC-BLLLJJGKSA-N 379.373 -0.060 5 20 GBBD C[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1781989540 LYUGAZACNFBFAR-KANYHAFZSA-N 381.389 -0.174 5 20 GBBD C=CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1844368877 DLXKYCCAQPTVCN-LBPRGKRZSA-N 390.400 -0.315 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 44712113 ZBAGZQSZAZCJFE-UHFFFAOYSA-N 390.443 -0.009 5 20 GBBD NC(=O)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1I 227866140 MLKRKNXFTHMPPA-QMMMGPOBSA-N 379.110 -0.225 5 20 GBBD Nc1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1[N+](=O)[O-] 265592719 LCWKJGUTTGMDEA-CYBMUJFWSA-N 377.401 -0.160 5 20 GBBD Cc1nnnn1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 268282716 RATODSTWVOQTRZ-UHFFFAOYSA-N 395.401 -0.577 5 20 GBBD CC(C)NS(=O)(=O)NCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 277221431 RSEKNTFKJGFSDQ-UHFFFAOYSA-N 387.418 -0.727 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 283575009 QMSWNFRZVOBZMZ-UHFFFAOYSA-N 392.459 -0.018 5 20 GBBD COC(=O)c1cn([C@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)nn1 364009173 ZWZOJTAMJBBECR-NSHDSACASA-N 390.356 -0.002 5 20 GBBD O=C(COC1CNC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 429731367 RAFWRIACFOKAQB-UHFFFAOYSA-N 384.414 -0.584 5 20 GBBD CN(C)S(=O)(=O)N[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)C1CCCC1 457855650 DEBULDQRGGRZLG-GFCCVEGCSA-N 388.450 -0.138 5 20 GBBD CN(Cc1nncn1C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 485303570 ONHVWBQCZFQJFB-UHFFFAOYSA-N 397.417 -0.157 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)S(C)(=O)=O 1323009748 CWNONEXZWAYMTJ-SNVBAGLBSA-N 385.398 -0.266 5 20 GBBD CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1354356030 QYYPRLYLRRGYFE-UHFFFAOYSA-N 398.441 -0.253 5 20 GBBD CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)C1 1590758141 RNKSAKDTPAJKAY-VIFPVBQESA-N 378.349 -0.227 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778129145 ITBJRRVNWYICSV-HACGYAERSA-N 393.400 -0.608 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 1799477758 ATERYBBREIQARE-USZNOCQGSA-N 392.416 -0.233 5 20 GBBD C/C(=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)C(=O)O 1802014059 PNWLZXHRZSHWQR-JOYDPBAWSA-N 393.356 -0.448 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810631326 GBVFMBYMKYNKLI-GXFFZTMASA-N 390.356 -0.657 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810631327 GBVFMBYMKYNKLI-MFKMUULPSA-N 390.356 -0.657 5 20 GBBD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 27349228 BPKXFLRMEONBRG-CYBMUJFWSA-N 398.441 -0.181 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1[N+](=O)[O-] 275345291 FSKPPNILCJKOJU-UHFFFAOYSA-N 376.366 -0.547 5 20 GBBD CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O 298264909 AHVWTMNNNHRUCF-LBPRGKRZSA-N 396.425 -0.094 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cn1cnnc1O 421978369 GOZREHJVBUGUSR-UHFFFAOYSA-N 384.374 -0.671 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424252219 WDPSHZYKNUOOKU-GFCCVEGCSA-N 399.381 -0.657 5 20 GBBD CCOC[C@@H](O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 433351004 HBBAOTMVMNNKPL-LBPRGKRZSA-N 375.403 -0.271 5 20 GBBD O=C(C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1)N1CCCC1 525699792 RIOTYMNAFFIQJB-UHFFFAOYSA-N 397.413 -0.555 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O 569260357 RJRMJYBASUZWDM-ZIAGYGMSSA-N 375.385 -0.976 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O 578905633 DWILVPUMSAYUBY-NEPJUHHUSA-N 376.369 -0.321 5 20 GBBD O=C(N[C@@H]1CCOC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 591808530 JWUZAYCEMFHQNN-MDZLAQPJSA-N 385.398 -0.376 5 20 GBBD CS(=O)(=O)NC1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596065279 PJHLRWMIPSWSHU-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD C[C@H](C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])S(C)(=O)=O 603659741 XKAAQBPCTCRKLT-SECBINFHSA-N 393.443 -0.041 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 604529681 PHKNIWCIWCVLGD-UHFFFAOYSA-N 388.450 -0.817 5 20 GBBD CCNS(=O)(=O)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 731646768 FPAACAFFQRPKMV-UHFFFAOYSA-N 390.443 -0.159 5 20 GBBD NC(=O)C1=NO[C@H](CNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1 829782031 TUMNZDRSFGOSJM-QMMMGPOBSA-N 397.294 -0.220 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1330956923 DOCZGRHTISWGSY-UHFFFAOYSA-N 391.428 -0.039 5 20 GBBD C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1580443933 PIQSDKUGPORWJQ-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD C=CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844370207 HZHPFYNVRMXVJA-SNVBAGLBSA-N 376.373 -0.174 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 52392841 VMUBXPDNHVBHML-NSHDSACASA-N 385.446 -0.254 5 20 GBBD C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C(N)=O)O1 268345648 LXTIWWPQMZVZCG-PRHODGIISA-N 387.370 -0.371 5 20 GBBD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 282442593 ZNSPWRNFMJTDFI-MFKMUULPSA-N 399.429 -0.303 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 447944496 MUMPZWWPVDGGBA-VIFPVBQESA-N 377.762 -0.090 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 468716052 FYUNHFAEMDFEPP-NSHDSACASA-N 399.429 -0.207 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 478542514 MJEJDTJFXOVMQW-OAHLLOKOSA-N 384.414 -0.013 5 20 GBBD COc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] 479893440 XORMRLZXHWHAQV-ZIAGYGMSSA-N 399.425 -0.481 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)c([N+](=O)[O-])c1 516785370 JIYFMXNJKXUIKD-GFCCVEGCSA-N 380.400 -0.569 5 20 GBBD CN1CCN(C)[C@@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 518975506 CUQNDUDVOYPMJS-NSHDSACASA-N 386.430 -0.110 5 20 GBBD Cn1cnc2c1c(=O)n(Cc1nc(Cc3ccc([N+](=O)[O-])cn3)no1)c(=O)n2C 545071723 LXYNKKKUKOJPSX-UHFFFAOYSA-N 398.339 -0.241 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 567124719 PYECFLUAOFGIGI-GHMZBOCLSA-N 377.357 -0.688 5 20 GBBD NS(=O)(=O)C1(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 569007622 DALGYFMZUNMZRT-UHFFFAOYSA-N 377.400 -0.694 5 20 GBBD Cc1sc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 569990271 PVYDDUNNCWXPIH-QMMMGPOBSA-N 384.413 -0.163 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)CS(=O)(=O)c2cccs2)c1 571445771 NWRDQHNRKWSZFH-NEPJUHHUSA-N 390.443 -0.362 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(CC(=O)NC(C)C)CC2)c([N+](=O)[O-])n1 611104732 AQQWFTSCMKQGMG-UHFFFAOYSA-N 388.450 -0.358 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 783753973 COAAYYGNFMUDJO-JTQLQIEISA-N 399.429 -0.267 5 20 GBBD CN(C)C(=O)NCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591003721 VFHFZXLBHHONGP-UHFFFAOYSA-N 398.405 -0.333 5 20 GBBD CN1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798007737 CTJQGYBMWXWCPD-OPDFLTKYSA-N 392.416 -0.385 5 20 GBBD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)C(=O)O 1841999398 OCORZFMGIPKXAT-GFCCVEGCSA-N 394.388 -0.943 5 20 GBBD CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)NC1=O 265658634 QLJAQFSNKKWHOY-GFCCVEGCSA-N 398.397 -0.521 5 20 GBBD O=C1NC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CCN2C1=O 269040877 MKHJPLROUOHXEO-LLVKDONJSA-N 375.341 -0.302 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 270950970 ZBPCKGXUQVMZAH-LBPRGKRZSA-N 378.385 -0.234 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] 272909355 LDWBGEOXNMMKPW-GFCCVEGCSA-N 393.400 -0.002 5 20 GBBD COc1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc([N+](=O)[O-])c1C 276676761 ZYWTYUCHODNCIZ-UHFFFAOYSA-N 389.372 -0.117 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCOCCS(N)(=O)=O 288116954 CHBGXAJJDDUNHB-SNVBAGLBSA-N 388.402 -0.866 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 364689177 WFWGZXYQKWIUOL-GFCCVEGCSA-N 384.414 -0.217 5 20 GBBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 471327028 KTTFALYUIWEYQT-KGLIPLIRSA-N 387.389 -0.350 5 20 GBBD COC[C@H](CCO)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 525320518 HGBKGKCXUPXFJA-NSHDSACASA-N 390.418 -0.430 5 20 GBBD CNC(=O)NCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 596272937 XXMHOGLVUHXBSJ-UHFFFAOYSA-N 387.418 -0.043 5 20 GBBD Nc1nc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)ncc1[N+](=O)[O-] 603856023 RRFUSNXTWQIZKM-UHFFFAOYSA-N 379.402 -0.059 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 816715371 SSEBEJZUAZCYLN-UHFFFAOYSA-N 378.388 -0.421 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCOCC2)c1-c1nn[nH]n1 826500179 NUPNNJFIJMOLNM-UHFFFAOYSA-N 384.374 -0.405 5 20 GBBD CCCC(=O)NC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1323668063 NBDADLNNEWYJBT-UHFFFAOYSA-N 380.405 -0.185 5 20 GBBD CCN(CCNC(=O)CNC(C)=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1590704587 CDEZFOURXYMFDG-UHFFFAOYSA-N 376.377 -0.147 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C(O)O)CC1 1824025443 ZBFLTWFCJBWDEZ-NSHDSACASA-N 381.389 -0.138 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 65869098 YLLBJYXJWDEYCW-UHFFFAOYSA-N 378.389 -0.607 5 20 GBBD NC(=O)N1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 267006810 LSGBZQDAZYGYDY-LBPRGKRZSA-N 385.402 -0.468 5 20 GBBD Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c(N)c([N+](=O)[O-])c1 267247415 GCLONSZWIWEUHO-JTQLQIEISA-N 384.414 -0.139 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCCN(CC(N)=O)CC2)ccc1[N+](=O)[O-] 370336252 YGCUPGSJGMOENH-UHFFFAOYSA-N 377.401 -0.347 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1ccccc1[N+](=O)[O-] 424524272 UYCPLMJOJYXOEJ-CABZTGNLSA-N 399.381 -0.518 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 425087858 LPRHUZPXEBIBCP-LBPRGKRZSA-N 398.397 -0.473 5 20 GBBD C[C@H](CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)S(N)(=O)=O 437037767 NESIVDLJTKXOIE-SNVBAGLBSA-N 384.414 -0.121 5 20 GBBD Cc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 446518851 DDYBLAIAVNDOAD-GFCCVEGCSA-N 385.398 -0.150 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 468709134 HXYXGDAJHCLJGZ-NSHDSACASA-N 399.429 -0.207 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(NCc2nnn(C)n2)c([N+](=O)[O-])c1 486480360 RFOVETKCNYOBJZ-UHFFFAOYSA-N 398.449 -0.040 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 494373900 FVLRTCFQMCRWCS-UHFFFAOYSA-N 397.406 -0.088 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC(=O)N1CCNCC1 495668027 JFUMOXQNDMJSRZ-LBPRGKRZSA-N 381.437 -0.283 5 20 GBBD NS(=O)(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 534850717 BKEMLHJOXLNOQP-ZDUSSCGKSA-N 384.414 -0.006 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 536812520 YAXUHXNACBLKTR-GFCCVEGCSA-N 380.405 -0.667 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O 733564387 KAXDWDHVNQRUFH-NSHDSACASA-N 390.308 -0.336 5 20 GBBD CN(CC(=O)OCCN1C(=O)CCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738673037 YSOYTDSPAWSROJ-UHFFFAOYSA-N 399.381 -0.093 5 20 GBBD CNS(=O)(=O)CCCOC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796274971 DUPGMJWXJMPCGQ-UHFFFAOYSA-N 395.415 -0.644 5 20 GBBD Cc1nccc(N2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)n1 1323615902 MYUWLMPNUZIUOM-UHFFFAOYSA-N 388.388 -0.645 5 20 GBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@]2(C(=O)O)CC[C@]2(C(=O)O)C1 1777568088 SXKXORGHQYSLKC-ZIAGYGMSSA-N 385.354 -0.002 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1782930062 NOLCAALEHNOLPO-HEHGZKQESA-N 381.364 -0.021 5 20 GBBD COCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786633322 OHMHVNJPBWBYGS-SRVKXCTJSA-N 381.389 -0.052 5 20 GBBD CC(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1834727800 GVJSCIHRDZDXPO-KRWDZBQOSA-N 395.416 -0.096 5 20 GBBD CCCS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57405236 LDYDLXUEBZQUHX-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD NS(=O)(=O)c1cccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] 273531728 ZBCYBXVLSYMQPW-UHFFFAOYSA-N 397.413 -0.831 5 20 GBBD CNS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 289398291 RTWIZYGGNINPDK-UHFFFAOYSA-N 392.459 -0.550 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 298206461 LJVXYYJTYONNQG-ZWNOBZJWSA-N 392.368 -0.397 5 20 GBBD NC[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 417280735 LPLAJKJISUFSPV-LBPRGKRZSA-N 387.418 -0.758 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] 439433884 ACKNEQSSISUFRE-AAEUAGOBSA-N 388.398 -0.394 5 20 GBBD C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 443052678 TXSOMJSJDJWRBD-IINYFYTJSA-N 384.414 -0.096 5 20 GBBD O=C(O)c1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] 572164925 DRZKPTRVXVSSML-UHFFFAOYSA-N 393.399 -0.393 5 20 GBBD COCc1n[nH]c(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 598054932 OIQZMEPCLBZWDM-UHFFFAOYSA-N 398.401 -0.156 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cnn(CC(=O)N2CCOCC2)c1 610199713 HRWFPACNILXXFY-UHFFFAOYSA-N 390.356 -0.550 5 20 GBBD CS(=O)(=O)NC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 737167463 BELGBYWXCLDSNB-SECBINFHSA-N 382.406 -0.065 5 20 GBBD Nc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 772987625 GLLXLFJSRVIBOA-KBPBESRZSA-N 384.414 -0.907 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 832687756 MDPXWSFGTLGHDB-UHFFFAOYSA-N 386.386 -0.191 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CCN(C)S2(=O)=O)ccc1[N+](=O)[O-] 842719099 JEEJLTFRLXIMLF-NSHDSACASA-N 377.400 -0.258 5 20 GBBD O=C(CN1C(=O)NC2(CCCC2)C1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847892860 IKGACSBLMQIHOQ-UHFFFAOYSA-N 397.369 -0.341 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1346240055 NMWWJBGKFVWAKK-AWEZNQCLSA-N 398.441 -0.206 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1)c1nc[nH]c1[N+](=O)[O-] 1799920378 OQWNSPLJUPBEIC-OSUNSFLBSA-N 378.389 -0.708 5 20 GBBD Cn1nc(C(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)cc1O 1842191876 OOZOBRPEWNWWJC-UHFFFAOYSA-N 375.345 -0.112 5 20 GBBD C[C@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412922 FJFWTHAXNDJIGM-OAHLLOKOSA-N 395.372 -0.249 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460684 SDMRTKYVXYQBPK-UHFFFAOYSA-N 387.352 -0.335 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)C[C@@H]1CCOC1 265287221 JRTMTQOIBWORIX-LLVKDONJSA-N 393.443 -0.171 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@H]2C(N)=O)c([N+](=O)[O-])c1 275075322 HPHFLLGADJTMIT-KWQFWETISA-N 387.370 -0.057 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] 275262731 PBGTVZRGZDHBNR-NSHDSACASA-N 388.358 -0.352 5 20 GBBD CN(CCOCCO)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 298703267 ZDEOXNLYOPDGNO-UHFFFAOYSA-N 380.401 -0.289 5 20 GBBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424444196 ZHCDBYZKVDGYMK-JTQLQIEISA-N 389.317 -0.617 5 20 GBBD C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 428718271 FERYLZNOAWBHMJ-JOLIMNQDSA-N 377.357 -0.542 5 20 GBBD COC(=O)CCN1CC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 501828834 SKNICUMAAAQDIR-CYBMUJFWSA-N 392.368 -0.395 5 20 GBBD NC(=O)NC1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 502238881 PWJHPSWHAINDTA-UHFFFAOYSA-N 397.413 -0.371 5 20 GBBD O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(O)CCS(=O)(=O)CC1 551576490 TVSUPDPSXMEOME-UHFFFAOYSA-N 382.391 -0.048 5 20 GBBD Cn1nnnc1CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 612471304 ATVKUCSBWPFIGF-UHFFFAOYSA-N 383.390 -0.566 5 20 GBBD CC(C)NS(=O)(=O)NCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 758162907 XBGOUPOOTSUUCP-UHFFFAOYSA-N 384.418 -0.107 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@]2(CO)C1 782939137 URCJSSCJBSYENN-XHDPSFHLSA-N 384.414 -0.103 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 1325152023 XDGIFDUQPKNBJS-UHFFFAOYSA-N 395.441 -0.285 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cc[nH]n1 1793501773 APGKDGDKYQZMBU-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798012097 UHZFWRGVZNBZTI-PTEHBNRSSA-N 377.357 -0.175 5 20 GBBD C[C@@H]1CN(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 10538562 UDNCUSLPDNKXOX-SNVBAGLBSA-N 391.336 -0.019 5 20 GBBD Cc1nn(CCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(C)c1[N+](=O)[O-] 263874946 JPTVQBKWTGENHC-UHFFFAOYSA-N 391.392 -0.844 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCN1C(=O)CCC1=O 280776085 MZLYBJCKXLMNCI-UHFFFAOYSA-N 398.397 -0.472 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 298292392 AIALOXHAEDQNED-UHFFFAOYSA-N 390.400 -0.009 5 20 GBBD COc1ccc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 494283382 VXKZSVWMEAABGZ-UHFFFAOYSA-N 379.416 -0.227 5 20 GBBD NC(=O)C1(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOCC1 498341560 ATPRMTRHJMZDAE-UHFFFAOYSA-N 393.400 -0.208 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])c1 507905180 WNPVBVRPGMRTJT-JTQLQIEISA-N 380.400 -0.305 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)O)c([N+](=O)[O-])c1 548258318 YULSEOIQMBVQBH-SDWAUSNYSA-N 378.384 -0.190 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 591575330 YWVYTJTWILWWSX-XJKSGUPXSA-N 391.428 -0.182 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 592306791 FEDNUYBFZJHIFN-BXUZGUMPSA-N 386.430 -0.162 5 20 GBBD NS(=O)(=O)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 608906052 VBVGVMGBJREHBT-UHFFFAOYSA-N 380.382 -0.139 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 619778462 HQQUWLYEFUAGMJ-UHFFFAOYSA-N 380.386 -0.015 5 20 GBBD COCC(=O)N(C)CC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl 759381839 PJSIRSRKYNFXAN-UHFFFAOYSA-N 394.793 -0.260 5 20 GBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 797304247 MUJOGUQXSRVLFD-MRVPVSSYSA-N 376.343 -0.010 5 20 GBBD CN(CC(=O)N[C@@H](CO)C(N)=O)c1cc(Br)ccc1[N+](=O)[O-] 804355580 BFVHFFKVODBXGJ-QMMMGPOBSA-N 375.179 -0.244 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 1120716585 AMHCJOMAYPGNBH-LBPRGKRZSA-N 386.382 -0.056 5 20 GBBD COc1ccc(CNC(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] 1323464205 QKQLRSGOTINARU-NSHDSACASA-N 385.398 -0.135 5 20 GBBD CC1([C@H]2CCCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)OCCO1 1343186735 VXLXDWXMETULGG-LBPRGKRZSA-N 381.389 -0.091 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277948 INWDGBHOXFDGTF-DEQVHRJGSA-N 392.416 -0.046 5 20 GBBD COC(OC)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823655 BXINOGTYFJHWEA-UHFFFAOYSA-N 394.384 -0.421 5 20 GBBD CS(=O)(=O)NC1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 10664159 LGFZHLKKJHFBHZ-UHFFFAOYSA-N 384.414 -0.135 5 20 GBBD Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)ccc1[N+](=O)[O-] 275083296 JAIJRWDBJRBVFQ-NSHDSACASA-N 378.384 -0.224 5 20 GBBD C[C@H]1OCC[C@H]1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 276016155 JUXKJBMKJUEPKG-ZWNOBZJWSA-N 393.443 -0.030 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C2 276467989 WXMUEMIQJUSXAI-UHFFFAOYSA-N 388.384 -0.374 5 20 GBBD COC(=O)[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 416206778 WGSFDDCCXSQNBC-AWEZNQCLSA-N 389.386 -0.697 5 20 GBBD O=C1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1 434099080 WDVBKEVQQLZMNO-NSHDSACASA-N 399.429 -0.159 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1[N+](=O)[O-] 442021873 IXJYPQUBRWTDMK-SNVBAGLBSA-N 377.313 -0.696 5 20 GBBD COc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1[N+](=O)[O-] 444826173 NJEYDFKVPOSCQY-QWHCGFSZSA-N 399.425 -0.481 5 20 GBBD COC[C@H](CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC 510584073 ZWIVFHXQTUBYCP-LBPRGKRZSA-N 390.418 -0.166 5 20 GBBD COc1cc(CCNC(=O)C(=O)N(C)CCNC(C)=O)c([N+](=O)[O-])cc1OC 592326040 GKQGIYZTFIIZAF-UHFFFAOYSA-N 396.400 -0.135 5 20 GBBD COC(=O)COCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 599446987 LLVUIKQZVJOKFL-UHFFFAOYSA-N 376.343 -0.166 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)[C@H]1CCOC1 733719784 JMFWESZUCMEATD-LBPRGKRZSA-N 386.386 -0.371 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 743257455 FSPGRAXYRLKKAX-CQSZACIVSA-N 390.466 -0.644 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2cncn2)c1-c1nn[nH]n1 826500109 LKTGYVCOXQBAIE-UHFFFAOYSA-N 379.362 -0.265 5 20 GBBD O=C(NCCCN1CCCCCC1=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1347072497 ZEOUOKFOLHKUOU-UHFFFAOYSA-N 380.405 -0.184 5 20 GBBD O=C(N[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1352822609 BFHBMUYSAYAUOJ-GFCCVEGCSA-N 396.425 -0.453 5 20 GBBD Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1779382953 IKUVEOFNOJWBKB-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD CC[C@@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793390981 FQZANQFMYKRUJV-YGEZULPYSA-N 395.416 -0.072 5 20 GBBD Cc1c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] 275854245 BWWJNTOKULBLOQ-SNVBAGLBSA-N 375.341 -0.989 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] 373970667 RULPJKXKSMALPR-GXTWGEPZSA-N 387.389 -0.039 5 20 GBBD Cc1c(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1[N+](=O)[O-] 481497117 XNAHWVHNJYUDIY-UHFFFAOYSA-N 386.368 -0.033 5 20 GBBD O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2)CCN1 548082375 GVNCLOANKXKPHN-UHFFFAOYSA-N 394.369 -0.309 5 20 GBBD COC(=O)c1cncnc1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 557517951 BFCLEWHZBPYBGA-UHFFFAOYSA-N 381.370 0.562 5 20 GBBD COC(=O)CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(=O)OC 561500123 CPLRVFQRZIZZFT-UHFFFAOYSA-N 383.313 -0.090 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(O)(CO)CC1 596562678 NQKYVRFOCRDNTO-UHFFFAOYSA-N 387.414 -0.103 5 20 GBBD CC(C)[C@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 766964919 UVYVRMYZDLAFFE-SKDRFNHKSA-N 388.402 -0.187 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] 848363044 AKNVHHJXNWNLOS-SNVBAGLBSA-N 384.370 -0.045 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 1323277862 MOIIEFYONDYMEN-LBPRGKRZSA-N 384.414 -0.330 5 20 GBBD CCC[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1CCOC 1327323536 SOHQZHIDFCZYEF-AWEZNQCLSA-N 396.448 -0.133 5 20 GBBD COC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCO1 1331061788 AXARVONNWWYDQY-CQSZACIVSA-N 379.369 -0.004 5 20 GBBD C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CCN1S(C)(=O)=O 1591748157 OKFCUSUMZVHXIY-MRVPVSSYSA-N 382.406 -0.173 5 20 GBBD CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792860281 YWAXZHKOTIPPEZ-NDPMZMCLSA-N 381.389 -0.848 5 20 GBBD C/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832800485 RGADYWJYPWOQMB-YATRRXNKSA-N 393.400 -0.176 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097031 TTXVKXMTWRUKIE-LYOVBCGYSA-N 397.363 -0.254 5 20 GBBD CN[C@H](CC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C(=O)O 1842951335 IFAMUHIQSXZUHH-SECBINFHSA-N 380.361 -0.802 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NC[C@H]2COc3ccccc3O2)c1=O 42650266 AEBAKIWRKVQFBO-NSHDSACASA-N 388.336 -0.188 5 20 GBBD COC1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCNCC1 262655508 XAKKFVSPDKQYAR-UHFFFAOYSA-N 386.430 -0.242 5 20 GBBD C[C@H](O)C(=O)N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 270886537 OIJRZNNMYHLCFI-JTQLQIEISA-N 380.357 -0.213 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 273679506 YQYRKAQNOBBCAI-LBPRGKRZSA-N 392.459 -0.070 5 20 GBBD COCCN(CCOC)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 281072969 BSQRWWGZJCCJTL-UHFFFAOYSA-N 375.403 -0.006 5 20 GBBD CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 298507269 LPHJBORICQHATR-LBPRGKRZSA-N 380.357 -0.200 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 362741438 MFUSSUNBQYYRMG-VIFPVBQESA-N 388.789 -0.421 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1N 423366266 CJPVSAKGUDNTSJ-IUODEOHRSA-N 389.412 -0.315 5 20 GBBD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 443032335 AFKVYELSZCAOFG-QMTHXVAHSA-N 384.414 -0.096 5 20 GBBD CN(C)C(=O)Cn1cnc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 460333346 QHHFGPMRGXVNEM-UHFFFAOYSA-N 389.328 -0.179 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 482212502 PHVVGWQTTDUFNH-UWVGGRQHSA-N 382.398 -0.026 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)Nc1n[nH]c3ccc([N+](=O)[O-])cc13)c(=O)n2C 534009721 HPCVQPVRGRDCME-UHFFFAOYSA-N 398.339 -0.143 5 20 GBBD CC1(C)NC(=O)N(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 543510747 YSCBOAQZPHSQOK-UHFFFAOYSA-N 398.397 -0.185 5 20 GBBD C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 564587285 VOQIKLHEDIUPIK-YUMQZZPRSA-N 375.432 0.093 5 20 GBBD O=C(NCC(=O)N1CCNCC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 568611312 OKUPPZOGHINYRD-UHFFFAOYSA-N 389.412 -0.366 5 20 GBBD CCn1cc(S(=O)(=O)NCc2ccccc2S(N)(=O)=O)c([N+](=O)[O-])n1 572312122 ZHJNPTYENNVVPX-UHFFFAOYSA-N 389.415 -0.063 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 594821639 ICBXZKVFGOKUPU-AAEUAGOBSA-N 378.428 -0.131 5 20 GBBD COCCOc1cccc(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 802893711 SSBYMROALXWDQC-UHFFFAOYSA-N 385.358 -0.283 5 20 GBBD CC1(C)OCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CO1 806655395 CEIXMQWVVDKHEJ-UHFFFAOYSA-N 393.400 -0.094 5 20 GBBD C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1320010225 PQNPDGZBZUUWNY-CQSZACIVSA-N 391.428 -0.088 5 20 GBBD O=C(Cn1ccnn1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415618 KWWHKBLDXGWSEC-INIZCTEOSA-N 389.372 -0.342 5 20 GBBD CO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785217259 ANCPVLBKSZLKBJ-DHMWGJHJSA-N 395.416 -0.194 5 20 GBBD COC(=O)C1(C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CC1 1846016759 LBIXCJQXWQJJLU-UHFFFAOYSA-N 391.384 -0.052 5 20 GBBD Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1[N+](=O)[O-] 52076864 MLFODJCXCDSDEW-UHFFFAOYSA-N 398.401 -0.160 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 263875542 VHMLBZAQZQZCII-SNVBAGLBSA-N 380.357 -0.410 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 267467156 NQMWIBYGPKVDCU-PWSUYJOCSA-N 391.384 -0.427 5 20 GBBD O=C(O)[C@H]1Cn2c(O)nnc2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 424397256 ZGFNDAOVFXSAJY-SNVBAGLBSA-N 383.342 -0.309 5 20 GBBD CCS(=O)(=O)N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 427509091 ISNBXCHFMWJJGP-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCNS(=O)(=O)c1cccs1 437349408 XYASCFJPXJLCQD-UHFFFAOYSA-N 386.411 -0.087 5 20 GBBD C[C@@H]1CN(CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 590628212 UFOWASZZWAVLHX-GFCCVEGCSA-N 386.430 -0.290 5 20 GBBD O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CC(O)(CO)C1 597704533 CMJCUHLSBTZJBQ-LBPRGKRZSA-N 399.425 -0.439 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NC[C@@]1(OCCO)CCOC1 597996539 PYUNKCWUMBOAFJ-KRWDZBQOSA-N 396.400 -0.322 5 20 GBBD COC(=O)c1[nH]c(=NC[C@H]2C[C@@H](O)C2)[nH]c(=NC[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] 599173921 FTGTXKWOCZUGPA-FDNPJPRYSA-N 381.389 -0.619 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 599215886 LDSOFCGMOONUOW-UHFFFAOYSA-N 395.401 -0.667 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c([N+](=O)[O-])n1 599384337 MDWILPQKPPFSGL-UHFFFAOYSA-N 393.447 -0.390 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] 743646271 CQBVBKYYVNDBJZ-CYBMUJFWSA-N 377.357 -0.084 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 854382691 IWYUNBBJSDOBPR-UKRRQHHQSA-N 395.368 -0.465 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]12 1591471888 BYTBHWIWTQMLKC-AXFHLTTASA-N 381.374 -0.582 5 20 GBBD CCC(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1603970872 HRGXYTBBEGGBCS-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD O=C(O)COCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1610785026 LUZGKYCAKKTWAQ-UHFFFAOYSA-N 387.370 -0.471 5 20 GBBD CN[C@@H](CC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C(=O)O 1842951338 IFAMUHIQSXZUHH-VIFPVBQESA-N 380.361 -0.802 5 20 GBBD CCOc1cc(N2CCN(C(=O)C(=O)NCCNC)CC2)ccc1[N+](=O)[O-] 419906079 ZSDLTVZQBGUOJS-UHFFFAOYSA-N 379.417 -0.022 5 20 GBBD O=C(CN1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 441168472 AQPZYRYIDBJOLZ-INIZCTEOSA-N 380.449 -0.218 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 533553168 DXBQWSZPEUBYCC-UHFFFAOYSA-N 387.462 -0.342 5 20 GBBD CN(C)C(=O)NCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 540812645 AHYFZTFFJAHJMU-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 598904921 MDVUCTNKZZYMRZ-ONGXEEELSA-N 392.324 -0.392 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 778140376 LZBBYSFXRFWADO-UHFFFAOYSA-N 393.400 -0.434 5 20 GBBD COc1c(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)cccc1[N+](=O)[O-] 813948625 IRBRNPAULOIHHB-UHFFFAOYSA-N 386.386 -0.258 5 20 GBBD COCCNC(=O)Cn1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cn1 821691022 FSILIXQUEZFGQW-UHFFFAOYSA-N 388.348 -0.127 5 20 GBBD Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O 826356898 KDNXYVOIEZRGGW-UHFFFAOYSA-N 397.311 -0.266 5 20 GBBD CN1CC[C@H](C(=O)NS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)S1(=O)=O 842692510 KEQZCYSJMPRLPO-SNVBAGLBSA-N 381.363 -0.427 5 20 GBBD COCCNS(=O)(=O)c1c[nH]c(C(=O)OCc2cn(C)nc2[N+](=O)[O-])c1 847783439 GABOVJCICIKUQX-UHFFFAOYSA-N 387.374 -0.062 5 20 GBBD CC(C)OCCN1CCC(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1117542926 FGDJMIBIYNNAQO-UHFFFAOYSA-N 396.448 -0.087 5 20 GBBD Cn1c(CCO)nnc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1122955196 CEIMVTODWHCKAX-UHFFFAOYSA-N 396.429 -0.231 5 20 GBBD NCC(=O)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1834669552 QRSPRMVZNZCQHJ-UHFFFAOYSA-N 379.421 -0.538 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N(CCO)CCCO 275842536 CPXSCKMFCJUGAJ-UHFFFAOYSA-N 383.357 -0.102 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N3CCNC(=O)C3)cc2[N+](=O)[O-])CC1 299231719 SIFQKNZZUBTIAP-UHFFFAOYSA-N 375.385 -0.165 5 20 GBBD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 543710487 VDRWAODGMDDNST-ABAIWWIYSA-N 377.401 -0.086 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] 543880010 BEZNZEAJLLTSLK-LBPRGKRZSA-N 375.341 -0.604 5 20 GBBD COC(=O)CCN(C)S(=O)(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 547882741 VBOKLCFYNBARHB-LBPRGKRZSA-N 389.386 -0.080 5 20 GBBD Cc1c(C(=O)N2CCN(C(=O)N(C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 583118284 VTTLHKOWCJHNQW-UHFFFAOYSA-N 399.429 -0.010 5 20 GBBD O=C(OCC(=O)N1CCNC1=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 733556930 AUSBAMIOLRAYQK-SECBINFHSA-N 380.313 -0.113 5 20 GBBD CN(CCOC(=O)CCn1cc([N+](=O)[O-])cn1)S(=O)(=O)N1CCOCC1 741116803 YIKWHFFPEMXKLQ-UHFFFAOYSA-N 391.406 -0.767 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN1C=O 854960669 GDFRRFFJCYCDPS-CQSZACIVSA-N 384.414 -0.048 5 20 GBBD CN1CCN(CC2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C2)CC1 1118806781 ABOBIRJVGGIADR-UHFFFAOYSA-N 377.449 -0.095 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O 1323905648 NBPYKOBOEGPJGQ-GFCCVEGCSA-N 382.421 -0.789 5 20 GBBD O=C(C(=O)N1CCC[C@@H](O)C1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1328248636 AHOHFZNEDHMNAD-CYBMUJFWSA-N 390.396 -0.138 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 1328816943 QAIZQWYIQZGSRH-MRXNPFEDSA-N 377.445 -0.042 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCN(CCCO)CC2)c1 1607079492 IXKHIADKXMKJKL-UHFFFAOYSA-N 397.417 -0.536 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2)c1cc(F)cc([N+](=O)[O-])c1 1799627051 MUFIFWLRUGVWIM-DDFAGTSDSA-N 383.332 -0.752 5 20 GBBD COC(=O)[C@@]1(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCOC1 268033027 HMVQVLMDPFOETP-CQSZACIVSA-N 387.370 -0.387 5 20 GBBD CCOCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272977495 KNCPOJNCKFBFEK-YPMHNXCESA-N 387.414 -0.129 5 20 GBBD CN(C)S(=O)(=O)NCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 288887957 IFFKKLMPYKBJGK-UHFFFAOYSA-N 386.839 -0.078 5 20 GBBD CN1C[C@H](NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 422170769 FSOKEIRBYGIGBW-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cn(CC(=O)OC)nn1 442196123 RIRWFGUNMNVNCZ-NSHDSACASA-N 394.392 -0.092 5 20 GBBD O=C(C(=O)N1C[C@@H](O)[C@@H](CO)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 459844392 HAGZINCOTQQMJJ-IUODEOHRSA-N 378.385 -0.945 5 20 GBBD COc1ccc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 521884012 VQUPEJFRHUYCNX-VIFPVBQESA-N 379.416 -0.084 5 20 GBBD Cc1c(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 575184566 VLYQBLCRLTUOHM-OAHLLOKOSA-N 395.397 -0.237 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 591572974 HHBMYKPQBUFSBX-OCCSQVGLSA-N 392.416 -0.787 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cnn(CCO)c1 738359621 KSPPTSJXQMQNCX-UHFFFAOYSA-N 380.346 -0.236 5 20 GBBD CS(=O)(=O)NCCNC(=S)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 782385287 NNPLBCXKRVYWJQ-UHFFFAOYSA-N 376.464 -0.148 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1258324917 HKNXXZWPIYVKPY-CYBMUJFWSA-N 384.414 -0.596 5 20 GBBD C[C@H]1CN(CCCNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 1323905730 OWOKJACTAVANOW-BETUJISGSA-N 382.421 -0.477 5 20 GBBD C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1602989515 VDSWXAWCHONHAS-HTQZYQBOSA-N 384.378 -0.822 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010998 PTTFTBDWGTURDI-DDFAGTSDSA-N 387.356 -0.375 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2)c1n[nH]cc1[N+](=O)[O-] 1798012495 XLPKIRCHRXLEFO-LFSVMHDDSA-N 379.373 -0.300 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1C[C@H](O)CN1 1798687282 QVVPTJWXKYKBIJ-OSUNSFLBSA-N 378.389 -0.708 5 20 GBBD O=C1CCCN1CC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999201 DGQBRIXMVZLRJR-UHFFFAOYSA-N 390.400 -0.383 5 20 GBBD CCN1C[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 69411350 BXDGFBSCGUIMBZ-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD COCC(=O)N(C)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 270319527 JYHOZPOTGYGUIE-UHFFFAOYSA-N 388.402 -0.906 5 20 GBBD CC(C)[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 274389278 NXDMKSRDIRHJMN-LBPRGKRZSA-N 387.418 -0.318 5 20 GBBD CNS(=O)(=O)CCNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 275864758 JISDXTFSFIOSNS-UHFFFAOYSA-N 396.403 -0.399 5 20 GBBD COC(=O)CC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 276812545 GEBHPCUYBFMEAY-GFCCVEGCSA-N 381.341 -0.064 5 20 GBBD C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H]1CO 297777012 LBTFHJCNMNAEPM-JSGCOSHPSA-N 377.401 -0.132 5 20 GBBD CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 297925455 RYYKNWKNTYDGFD-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD N[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 423403536 YIWUWPHVPNWNLM-ZDUSSCGKSA-N 375.385 -0.561 5 20 GBBD CCn1cc(S(=O)(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)c([N+](=O)[O-])n1 447842737 CPBLZNCICJPCTB-NWDGAFQWSA-N 392.434 -0.154 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc1[N+](=O)[O-] 531198255 GROJRHMWIWGIKE-NSHDSACASA-N 392.368 -0.015 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@](C)(O)CN2CCOCC2)c([N+](=O)[O-])n1 533638082 GWNHNYGJCYQAQK-CYBMUJFWSA-N 377.423 -0.827 5 20 GBBD Cn1cc(S(=O)(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C(N)=O 549815336 UBPXQHCKPLNKGC-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCN2C1=O 594877548 VJCQTVPIRMWURG-NEPJUHHUSA-N 389.368 -0.909 5 20 GBBD O=C1CC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N1 596198295 YVUUSEGQKUBJIR-JTQLQIEISA-N 385.402 -0.549 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 596622968 NYFVANLUDAKWIT-UHFFFAOYSA-N 388.402 -0.328 5 20 GBBD Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)c(C)c1[N+](=O)[O-] 598614189 PKAWILZOCXZMQX-UHFFFAOYSA-N 380.448 -0.114 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 619492741 IHNWGPCAYNKPSJ-SECBINFHSA-N 379.416 -0.084 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN(c3ccc4nncn4n3)CC2)c(-c2nn[nH]n2)c1 738368672 IDQXABQRLDLDHO-UHFFFAOYSA-N 394.359 -0.066 5 20 GBBD C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825006634 MTJQCRHPSJRYPK-RKDXNWHRSA-N 384.374 -0.455 5 20 GBBD O=C(O)CN(CCN1CCOCC1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 833248646 XJXINOGOQTWSRE-UHFFFAOYSA-N 392.368 -0.133 5 20 GBBD C[C@@H]1NC(=O)N(CCOC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O 837484113 FOKQLRQNMOTFJW-JTQLQIEISA-N 393.356 -0.123 5 20 GBBD O=C1CO[C@H]2CCN(C(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]2N1 1118088580 OPWJKFVMXPTETM-STQMWFEESA-N 396.787 -0.020 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1322705207 HLKIZQQRVSGGFJ-UHFFFAOYSA-N 384.414 -0.643 5 20 GBBD CN(CC(C)(CO)CO)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 271177177 VUFPRMDTLZHCSN-UHFFFAOYSA-N 376.387 -0.023 5 20 GBBD CN(C)c1cc(F)c(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 279356666 FSAPORADKKWXKL-UHFFFAOYSA-N 375.382 -0.239 5 20 GBBD COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 416316724 BWCIOZZSGKWXRM-ZDUSSCGKSA-N 392.368 -0.395 5 20 GBBD C[C@H](CN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)O 422929521 QJNLPTSCSJZWFZ-LLVKDONJSA-N 379.373 -0.183 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)OC)[C@H](C)O 468987207 MPELMQFYUZVPAD-CPCISQLKSA-N 376.343 -0.418 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H]1CCCS1(=O)=O 484064245 AARSPASCDUZIAZ-SECBINFHSA-N 381.366 -0.116 5 20 GBBD CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O 498835776 GHQWEVXSEBQHJT-ZDUSSCGKSA-N 389.412 -0.020 5 20 GBBD O=C1NC(=O)[C@H](CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)N1 573926539 ANXMBHOKVGYSEU-NSHDSACASA-N 375.341 -0.523 5 20 GBBD COc1c(F)cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] 594822121 KUWFVRBCROOPAH-KOLCDFICSA-N 398.390 -0.167 5 20 GBBD COC[C@@H](OC)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 597787791 FZVWOSDMXBTVFP-CYBMUJFWSA-N 375.403 -0.007 5 20 GBBD CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O 598293326 BXXLFUSUJZFILP-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 609547628 CYUBMFXOBSXXQC-UHFFFAOYSA-N 392.416 -0.329 5 20 GBBD C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1781246665 AWYJHFOLMAZGCB-ZBEGNZNMSA-N 379.373 -0.499 5 20 GBBD CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1793285738 VVPOUFSHSZOZID-KEODLESXSA-N 379.373 -0.738 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404106 XZEZSYWDOKBPGO-DIYOJNKTSA-N 393.385 -0.314 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010103 XLSDHKVQRPKYSZ-PEGIJTEDSA-N 375.345 -0.442 5 20 GBBD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1)C(=O)O 1844411339 DAEPNBZIDLNGBT-VIFPVBQESA-N 380.361 -0.802 5 20 GBBD COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412023 DVYNQPHYKWHZHW-NSHDSACASA-N 394.388 -0.714 5 20 GBBD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847446169 CLTSCBVAYSUHFN-UWVGGRQHSA-N 379.325 -0.550 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)OC 42632096 DWHRROYTWBIABR-VIFPVBQESA-N 376.343 -0.014 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCC1=O 69411300 OYMLTINGGSGLKV-JTQLQIEISA-N 398.397 -0.473 5 20 GBBD CNC(=O)CCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265365466 WTVVERKNVSZUIZ-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD Cc1c(NC(=O)[C@@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] 268945759 MUYKWCZWCUBUJN-VXGBXAGGSA-N 375.385 -0.127 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 272468776 DIPVUVQAIZRWMP-ZDUSSCGKSA-N 378.385 -0.037 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 362741436 MFUSSUNBQYYRMG-SECBINFHSA-N 388.789 -0.421 5 20 GBBD Nc1nc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ncc1[N+](=O)[O-] 363226719 XVWSQYMUXBNBHW-UHFFFAOYSA-N 387.422 -0.580 5 20 GBBD O=C(NC[C@@H]1CNCCCO1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 420183490 GYNLLCXHNCHKQZ-AWEZNQCLSA-N 378.385 -0.321 5 20 GBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424384545 BWBXVYHZYBJVTP-SECBINFHSA-N 383.342 -0.142 5 20 GBBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1O)C(=O)NC[C@H]1CCS(=O)(=O)C1 513336685 UFVUNIZFYZNREI-DTWKUNHWSA-N 386.386 -0.635 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OC)cc1[N+](=O)[O-] 565234057 BLMLXUUIRQPJLG-UFBFGSQYSA-N 388.354 -0.322 5 20 GBBD COC(=O)c1ccnc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 598607132 NSUPBFLCUAPTPT-SECBINFHSA-N 386.386 -0.484 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 598863212 BPQYMYKXHVAOFT-CABZTGNLSA-N 385.354 -0.569 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 604429813 YVEDGOLTEAGOIV-UHFFFAOYSA-N 396.429 -0.222 5 20 GBBD Cn1cc(S(=O)(=O)NCC(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)cn1 739036129 HQRSYPCZYLVOQC-UHFFFAOYSA-N 383.342 -0.057 5 20 GBBD COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)CCn2cc([N+](=O)[O-])cn2)nn1 811181800 OAWGPSLMMDZKLF-VXGBXAGGSA-N 380.317 -0.257 5 20 GBBD NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O 839582626 MQIKEQNIEOUEMT-UHFFFAOYSA-N 383.748 -0.657 5 20 GBBD COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1117916505 CYFBQMHGCHXDBJ-UHFFFAOYSA-N 392.372 -0.795 5 20 GBBD Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 1322705245 ISHKFBJKELALHJ-UHFFFAOYSA-N 385.380 -0.068 5 20 GBBD CC[C@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403185 CEEWAUANTIVJJI-BYNIDDHOSA-N 395.416 -0.072 5 20 GBBD O=C([C@@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828717 NDTACKMQDNEFLL-OAHLLOKOSA-N 393.400 -0.610 5 20 GBBD O=C(c1cn[nH]c1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824331 CWJLWHRDXHUVEK-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 68855121 CUQDQIMPRKPXMT-LBPRGKRZSA-N 381.341 -0.128 5 20 GBBD CN(CC(=O)NCCS(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265519162 BVFWRWJVBGBNDB-UHFFFAOYSA-N 379.416 -0.624 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]1(O)CCSC1 270973786 KHUPXZGALAQSNR-ZDUSSCGKSA-N 375.428 -0.143 5 20 GBBD CCOC(=O)COCCNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 297008403 GGNNCXVLFJOJOI-UKRRQHHQSA-N 385.373 -0.132 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1=O 416545967 KJXOTOXUHSAFNE-UHFFFAOYSA-N 376.778 -0.434 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 468659297 CYILOIMNUKUULJ-LLVKDONJSA-N 385.354 -0.888 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 496151710 WCAYVROWXJFECH-TVQRCGJNSA-N 380.357 -0.423 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 591572149 WLHCNWDKKCMMOY-CJNGLKHVSA-N 391.428 -0.182 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2nncn2C[C@H]1C(=O)O 591652986 IASPMNALEQYOBJ-SKDRFNHKSA-N 388.340 -0.200 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598911083 ZUPUTVVNOLCQEY-NWDGAFQWSA-N 386.386 -0.356 5 20 GBBD COc1ccc(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1[N+](=O)[O-] 604192746 YBAQGEIIQMLWBN-UHFFFAOYSA-N 383.386 -0.068 5 20 GBBD CN(CCCNC(=O)COC(=O)c1cccc([N+](=O)[O-])c1N)S(C)(=O)=O 758953993 JACZLNXPAHPMKL-UHFFFAOYSA-N 388.402 -0.269 5 20 GBBD C[C@H](C(=O)NC1CC1)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 819854887 CVTLNQREGFBBJA-SNVBAGLBSA-N 387.404 -0.041 5 20 GBBD O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1593317421 ZSNQOZWSLMYYDL-LSCVPOLPSA-N 386.372 -0.325 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCOC[C@@]23CCOC3)c1 1593473613 BHEMZXBCIIDGDN-AWEZNQCLSA-N 396.385 -0.045 5 20 GBBD Cc1nc[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010102 XHXLSYSKJLTTHX-DDFAGTSDSA-N 389.372 -0.134 5 20 GBBD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1847046536 GCPYKUQHZGPWFE-UHFFFAOYSA-N 392.391 -0.037 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NCC2(CO)COC2)c([N+](=O)[O-])c1 269522152 VYJVRWMRAHIXRB-UHFFFAOYSA-N 388.446 -0.145 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 273988144 IMLJAMVJPZROBF-NSHDSACASA-N 388.402 -0.403 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 298475442 SNWTYULSKLUGQT-UHFFFAOYSA-N 385.402 -0.550 5 20 GBBD CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)NCCN1CCOCC1 481884740 XDBPWRDFYYUOPB-WFASDCNBSA-N 396.448 -0.079 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](OC)C[C@H]1C(N)=O 481933978 WXDJPZZQBNTIRX-ONGXEEELSA-N 387.370 -0.355 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC3)CC2)c1 508920609 ZRPZTUQTKGTQKB-UHFFFAOYSA-N 390.443 -0.148 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 513455127 OFHUTBGXCPNPIU-UHFFFAOYSA-N 384.370 -0.330 5 20 GBBD CCS(=O)(=O)NCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 517670242 SCLRKTNWTBSWAV-SNVBAGLBSA-N 388.402 -0.152 5 20 GBBD COc1ccc(NC(=O)CN2CCC(NS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 599647674 RXQAJJILXUAIBQ-UHFFFAOYSA-N 387.418 -0.201 5 20 GBBD O=C(NC(CO)CO)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 612556540 KSABEVUZPXYEDM-AWEZNQCLSA-N 387.414 -0.393 5 20 GBBD O=C(CO)N1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 767521605 MSUPEKXIIKDIBE-UHFFFAOYSA-N 391.428 -0.620 5 20 GBBD Cc1c([N+](=O)[O-])cc(C(=O)NCC(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 825521896 GWYPRSIAGAASKM-UHFFFAOYSA-N 395.372 -0.010 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(C(=O)N2CCCC2)CC1 1117565476 UGPYWLUPQDFQGI-UHFFFAOYSA-N 393.404 -0.733 5 20 GBBD C[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1781988286 SXAVQQNQXMJJMI-DXCKQFNASA-N 395.416 -0.314 5 20 GBBD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1796404367 PEYZEWNWXHVENU-PEGIJTEDSA-N 377.357 -0.500 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 26542094 CYIYRRBYDHODNG-NSHDSACASA-N 384.414 -0.048 5 20 GBBD NC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 28927096 CKORKHMNPTYSCW-UHFFFAOYSA-N 385.402 -0.514 5 20 GBBD CN1CC[C@H](N(C)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 265717695 FNFHJEHJOMVUSM-ZDUSSCGKSA-N 399.429 -0.255 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 274147500 XZBVWDYYCMPINR-VIFPVBQESA-N 396.374 -0.305 5 20 GBBD O=C(CN1CCc2cc([N+](=O)[O-])ccc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 280540432 PUPQBSZPODDQKX-NSHDSACASA-N 382.398 -0.030 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 298118268 RCRDVRUQOPKTEO-UHFFFAOYSA-N 379.416 -0.131 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424372684 WYEUCMHTJWRKNW-NSHDSACASA-N 378.384 -0.224 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 428623377 HVNWTFNWUVXRSR-CYBMUJFWSA-N 377.401 -0.573 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 431578340 LRGPJQGRHKRFBW-SECBINFHSA-N 383.386 -0.600 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1O 487668101 PISFPRJRJYRFNY-VXGBXAGGSA-N 383.405 -0.213 5 20 GBBD COC[C@@H]1CCN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 592800801 OCQRKNFDXZZUBC-SCRDCRAPSA-N 399.425 -0.034 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H]2COC[C@]2(C(=O)O)C1 596001269 RKVXIQQGZBMAKW-MEBBXXQBSA-N 399.381 -0.567 5 20 GBBD COc1ccc(CNC(=O)NCCOCCS(N)(=O)=O)cc1[N+](=O)[O-] 596623026 MIIXOQMRDMAYJJ-UHFFFAOYSA-N 376.391 -0.292 5 20 GBBD CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 599384831 UIVYCWKJZSAAEN-SNVBAGLBSA-N 388.402 -0.078 5 20 GBBD COC(=O)C[C@H](O)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 600058256 KUWXSBVKHUURGA-VIFPVBQESA-N 397.340 -0.265 5 20 GBBD COC(=O)CNC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 733560115 XTQAJCRMZNJDBZ-VIFPVBQESA-N 383.313 -0.375 5 20 GBBD Cn1cc(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 735153412 PHFWQGQKBJRINO-UHFFFAOYSA-N 388.336 -0.262 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785654928 UQYGVHBYTVJQDS-CYBMUJFWSA-N 381.389 -0.485 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591253182 KDTBIWGFNAZGBT-LBPRGKRZSA-N 396.385 -0.453 5 20 GBBD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2)c1n[nH]cc1[N+](=O)[O-] 1820293766 YDWIGWSZWDDPAO-RXMQYKEDSA-N 382.358 -0.689 5 20 GBBD N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840965943 XALSRVLLIKTCHY-UHFFFAOYSA-N 376.373 -0.155 5 20 GBBD CCNC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844229014 BKTGNFDVSMAVTM-JTQLQIEISA-N 393.404 -0.158 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844761803 ABBLMAAKGWVCIK-UHFFFAOYSA-N 387.356 -0.608 5 20 GBBD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1)C(=O)O 1844828226 IFYSYNKKVGEDEZ-NSHDSACASA-N 379.373 -0.197 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 23400650 PCSFQHVBTRFXFY-LLVKDONJSA-N 387.370 -0.344 5 20 GBBD CN(CCCNC(=O)Cn1cc(Cl)cc([N+](=O)[O-])c1=O)S(C)(=O)=O 271188898 NWHVZEOXTVPIRA-UHFFFAOYSA-N 380.810 -0.192 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 272991825 NGVALDQXUZAOIU-KBPBESRZSA-N 390.352 -0.022 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 275440183 SDGVTVWGFKVTFA-UHFFFAOYSA-N 377.350 -0.120 5 20 GBBD COC(=O)CNC(=O)c1ccc(NCC(=O)Nc2ccn(C)n2)c([N+](=O)[O-])c1 425265921 GDOHDZHAWJJGNY-UHFFFAOYSA-N 390.356 0.282 5 20 GBBD CN(CC(N)=O)C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCO1 434219832 YDLJRIVYVIPYRQ-LLVKDONJSA-N 386.430 -0.379 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465040925 YHKGOJXHVMQFBY-LBPRGKRZSA-N 393.352 -0.201 5 20 GBBD Cn1cc(C[C@H](O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 469558574 MRVMBQJCGYPBTN-AWEZNQCLSA-N 382.398 -0.178 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 486022616 FTMWBOLLOJCEIV-FVMDXXJSSA-N 380.357 -0.687 5 20 GBBD CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 493203629 VCGLIAGKJFNCKS-LLVKDONJSA-N 383.382 -0.034 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] 493418564 XGYQFHSLHPSWAQ-JTQLQIEISA-N 388.333 -0.333 5 20 GBBD NC(=O)[C@@H]1CCCN1C(=O)NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 525629771 OAYCMDDIBOKOCE-ZETCQYMHSA-N 389.166 -0.260 5 20 GBBD CN(C)CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 593902203 PALUFOFGHFVJRS-OAHLLOKOSA-N 399.473 -0.293 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)OC)cc1[N+](=O)[O-] 594821131 CIKAGDCMACBQRH-CMPLNLGQSA-N 388.354 -0.010 5 20 GBBD O=C(O)c1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 738694240 MTENVEKRHIPBSH-UHFFFAOYSA-N 379.373 -0.331 5 20 GBBD CNC(=O)[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CCO1 781574916 IQHKZYOVAQHQJV-GUYCJALGSA-N 391.384 -0.234 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)OCc2c(N(C)C)n(C)c(=O)n(C)c2=O)n1 814063407 KFWUNXJHLSUNDS-UHFFFAOYSA-N 380.361 -0.368 5 20 GBBD O=C1NCCn2c(CCNc3cc(F)c(-c4nn[nH]n4)cc3[N+](=O)[O-])nnc21 1593409628 DYQONQCQZIDPIT-UHFFFAOYSA-N 388.323 -0.097 5 20 GBBD CC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477012 WSABMWDRKSWKSE-BJDJZHNGSA-N 381.389 -0.318 5 20 GBBD C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)n1cncn1 1848163636 OEDSPLGUSCJIMP-UBHSHLNASA-N 388.388 -0.154 5 20 GBBD Cc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 3520301 LWNVWGLSIHCGEQ-UHFFFAOYSA-N 376.325 -0.077 5 20 GBBD Cc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)nc2c1c(=O)n(C)c(=O)n2C 269169953 YKPZYYAFMBYFMG-UHFFFAOYSA-N 387.356 -0.525 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 269389563 RCQFWIPCSGRKDD-UHFFFAOYSA-N 382.421 -0.038 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)c1=O 274723268 FZUOYZPORQJSSK-SECBINFHSA-N 390.274 -0.022 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 276063109 BZQKKQFUOAVHPE-QMMMGPOBSA-N 378.384 -0.153 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC(=O)NCC(=O)O)c(C)c1[N+](=O)[O-] 276794807 DCZYQNVVDDNWCZ-UHFFFAOYSA-N 390.330 -0.401 5 20 GBBD Cc1cc(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 277031418 IVDVFIYXAWUAPQ-LLVKDONJSA-N 382.398 -0.457 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)c([N+](=O)[O-])c1 298845840 JZCQSICJOTXSJS-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD CC(C)[C@@H](N)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419971622 FGOYOXBXMGZARW-HNNXBMFYSA-N 391.428 -0.021 5 20 GBBD CNC(=O)Cn1cnc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 460560656 OTESSPUGAKAEFY-UHFFFAOYSA-N 387.312 -0.833 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 543941623 RQADVWLGNOQJCO-UHFFFAOYSA-N 393.400 -0.178 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 598151325 WKZXFOPASHABNK-ZDUSSCGKSA-N 398.441 -0.194 5 20 GBBD Cc1ccc(S(=O)(=O)NCCOCCS(N)(=O)=O)c(C)c1[N+](=O)[O-] 598614137 OPNLJFWPJHMFFC-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD CCOC(=O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCOC1 599272107 PIORAEQYBMDFJY-KOLCDFICSA-N 376.391 -0.035 5 20 GBBD COC(=O)[C@](C)(NC(=O)CNS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 600538632 UGTWGRCWOYRJLN-CQSZACIVSA-N 388.402 -0.505 5 20 GBBD CN1CC(=O)N(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 749361552 FWPJJSIAKXSVDF-UHFFFAOYSA-N 394.296 -0.301 5 20 GBBD COCCOCCS(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 768229836 QWEHOLIELMTPSB-UHFFFAOYSA-N 399.385 -0.102 5 20 GBBD O=C(C(=O)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 776273459 BRNHDYHMNNSQBG-MRXNPFEDSA-N 392.412 -0.369 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 776707204 HOLBZZOSPGQMLP-ZETCQYMHSA-N 384.413 -0.081 5 20 GBBD COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 778054413 ZWAQMYRYJPLWQT-SECBINFHSA-N 389.342 -0.636 5 20 GBBD O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cn1 823140136 PGRIRPZRISZQNS-KBPBESRZSA-N 385.340 -0.006 5 20 GBBD O=C(NC[C@H]1CNCCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 842274009 HMHPHMYFNALPII-MRXNPFEDSA-N 391.428 -0.262 5 20 GBBD COC[C@@H](CS(=O)(=O)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)OC 853203709 HVMHYYAATWNCAA-NSHDSACASA-N 378.407 -0.094 5 20 GBBD CCS(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 853243591 NBMLLXGNMQRHIU-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1326580722 GYAHRZNIZMZPTO-ZIAGYGMSSA-N 392.412 -0.148 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NC[C@@]1(CO)COC[C@@H]2CCCN21 1593472272 XKOABYGJUMVGIZ-XHDPSFHLSA-N 376.377 -0.193 5 20 GBBD Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cn1 1779383984 ZSBBWTVLXOJACU-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 267467154 NQMWIBYGPKVDCU-CMPLNLGQSA-N 391.384 -0.427 5 20 GBBD CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272951266 GKXLPKALORNKQY-WZRBSPASSA-N 387.414 -0.394 5 20 GBBD O=C(O)[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 274953917 IJNKGNPGBRPLSG-MRVPVSSYSA-N 375.334 -0.055 5 20 GBBD CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 299613385 JTBTTXOMLBBGKM-UHFFFAOYSA-N 375.359 -0.358 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC[C@@H](OC)C(=O)OC)cc1[N+](=O)[O-] 416488951 OLZLXJROPYHDNI-LLVKDONJSA-N 376.343 -0.152 5 20 GBBD CN(CC(=O)O)[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1O 435702718 BYVCXIOAVBGBJD-HUUCEWRRSA-N 389.368 -0.018 5 20 GBBD COc1cccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1[N+](=O)[O-] 444365983 QABAEJDYTWLKAE-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCc3nc(COC)nn3C2)c([N+](=O)[O-])n1 532856337 RFBKRQRMBIUSIL-VIFPVBQESA-N 385.406 -0.158 5 20 GBBD CN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 619445101 ZJJUQTPFDKNPRD-LLVKDONJSA-N 384.414 -0.048 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCCN1C(=O)CCC1=O 796272915 HLAYVBATKFSMNM-UHFFFAOYSA-N 385.354 -0.435 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2C[C@H]3C[C@H]2C(=O)O3)c([N+](=O)[O-])c1 861872731 YDHXQZWQVYRJRR-PELKAZGASA-N 384.370 -0.430 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1327032459 GFXUCYFVHYFXGX-CYBMUJFWSA-N 396.425 -0.370 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)c1cc(F)cc([N+](=O)[O-])c1 1790129974 IECQPIYZZOYSBK-HERUPUMHSA-N 397.359 -0.362 5 20 GBBD CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795723571 YDRNGEGHPJLWLK-LSCVPOLPSA-N 380.405 -0.481 5 20 GBBD O=C1OCCN1CCC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1843857137 MHUMYNPMNZDWDJ-UHFFFAOYSA-N 392.372 -0.023 5 20 GBBD NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845994800 BRDUMQSJDQFQGQ-UHFFFAOYSA-N 391.384 -0.775 5 20 GBBD O=C1CN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([N+](=O)[O-])[nH]2)C(=O)N1 1848067790 RBWGKXPMXAZUCI-QWRGUYRKSA-N 390.356 -0.710 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CCNC(N)=O)CC1 14845855 NVIZUQXMISFEJX-UHFFFAOYSA-N 399.429 -0.205 5 20 GBBD Cc1c(NC(=O)[C@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] 268945757 MUYKWCZWCUBUJN-RYUDHWBXSA-N 375.385 -0.127 5 20 GBBD O=C(CCn1cnccc1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 292231313 RPXSDVCKVDHTME-UHFFFAOYSA-N 395.397 -0.364 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(N[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 295998010 MOIADTFVGSUYIR-UKRRQHHQSA-N 388.446 -0.004 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 298213287 QGDLDQDPCWLQNZ-LLVKDONJSA-N 399.381 -0.498 5 20 GBBD NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 366802606 XCYALELHPKQMEC-LLVKDONJSA-N 394.203 -0.032 5 20 GBBD Cc1c(C(=O)N(C)CC(=O)N2CCNCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 428207032 MKYKSELQZUDNKP-UHFFFAOYSA-N 399.429 -0.946 5 20 GBBD C[C@@]1(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC(=O)N1 455620880 JBFWMXDMBWEKHX-HNNXBMFYSA-N 399.429 -0.159 5 20 GBBD COCCNC(=O)C1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 458350614 QPCFWNKYBFMNMZ-UHFFFAOYSA-N 392.368 -0.268 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 532164873 AURIUWQSTZMLMQ-UHFFFAOYSA-N 392.459 -0.073 5 20 GBBD NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-] 565484243 KZGJKABBIQARDM-MRVPVSSYSA-N 375.384 -0.116 5 20 GBBD CNc1nccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 566746281 YROMUTDSGCOYDR-LLVKDONJSA-N 383.430 -0.024 5 20 GBBD CCc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 579348790 GZEGAUNFMILBON-LLVKDONJSA-N 382.398 -0.512 5 20 GBBD C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)C(=O)N1CCCCC1 603911041 AWZWZYYGFRAYMZ-JTQLQIEISA-N 379.373 -0.627 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)C(=O)N2CCOCC2)CC1 619541565 FUHVIBIFALWSDZ-UHFFFAOYSA-N 380.405 -0.897 5 20 GBBD CS(=O)(=O)NCCOC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 730601540 MOFILBXPJPKLQL-UHFFFAOYSA-N 377.400 -0.122 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731511408 MEKCEGXKZWINIR-CQSZACIVSA-N 397.409 -0.026 5 20 GBBD COC[C@H](C)S(=O)(=O)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 733715699 YRVOQMSQYPZAAG-JTQLQIEISA-N 388.402 -0.125 5 20 GBBD CS(=O)(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826222647 GANZAVGHQFCQGS-UHFFFAOYSA-N 376.376 -0.902 5 20 GBBD CCn1ncn(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 854630478 DBFITJMXYAVRPL-UHFFFAOYSA-N 384.374 -0.588 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC(=O)N1CCOCC1 1326562371 CAGDTTDTIFHNEY-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD CCOCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842694129 OVWVYQLMDJYRKA-UHFFFAOYSA-N 378.385 -0.004 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 265009685 AGTDMOHIGNAIJZ-UHFFFAOYSA-N 380.404 -0.887 5 20 GBBD C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)N2CCNC(=O)C2)C1=O 298389534 DSTJGEUCYVZBGA-INIZCTEOSA-N 375.341 -0.680 5 20 GBBD NC(=O)C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 377347212 QPLQADHMLDJBTF-LLVKDONJSA-N 399.429 -0.220 5 20 GBBD COCC[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 467833808 BXRDBLBPKCHDBE-LLVKDONJSA-N 375.403 -0.223 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 468709975 BZRQHTBYAYYAJE-SNVBAGLBSA-N 377.357 -0.150 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3)CC2)c([N+](=O)[O-])c1 478010480 OTMFJXQSJHQLBK-DGCLKSJQSA-N 398.441 -0.630 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] 507908705 NCNKQWXXSAXYCR-VIFPVBQESA-N 380.400 -0.305 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748377632 BGNYIXVCMPVXPY-SECBINFHSA-N 381.345 -0.219 5 20 GBBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCS(=O)(=O)N1CCOCC1 759019479 PAJJOPHIUXUISF-UHFFFAOYSA-N 393.443 -0.324 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 1346251769 JAUJACWOJURUOS-CQSZACIVSA-N 379.417 -0.548 5 20 GBBD O=C(CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NCc1cnn[nH]1 1577768863 FUPVUTUWJXBSMC-VXGBXAGGSA-N 393.404 -0.979 5 20 GBBD CS(=O)(=O)N1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 1607372961 XNMHTXYGCBNTRX-UHFFFAOYSA-N 386.386 -0.509 5 20 GBBD COCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378878 IEGODOWKEVMVPJ-MRXNPFEDSA-N 397.388 -0.576 5 20 GBBD O=C(c1cnc[nH]1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382951 IIGDDBMMGPROQV-OAHLLOKOSA-N 375.345 -0.202 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)C[C@H]1CCCO1 265253892 BNWYEGMNQQAXFI-LLVKDONJSA-N 393.443 -0.029 5 20 GBBD O=C(NCCCOCCO)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 272699387 YFCOOKAQYLTSGK-UHFFFAOYSA-N 390.418 -0.429 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 275181864 WRHGMISCHGGYDF-SNVBAGLBSA-N 378.384 -0.224 5 20 GBBD CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1=O 287528215 VWMIGDKMBUKWCA-VIFPVBQESA-N 398.353 -0.413 5 20 GBBD CC(C)[C@H](N)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 419984947 VJZZAGNPFKNEEX-CYBMUJFWSA-N 386.430 -0.416 5 20 GBBD CO[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C[C@H]1O 453986769 WIRMPIHFTLVHJC-BXUZGUMPSA-N 381.341 -0.087 5 20 GBBD Cn1cc(C(=O)N2CCN(CC(N)=O)C(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 458057877 ZBFJRWVRECJJRT-UHFFFAOYSA-N 386.368 -0.235 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473711703 CXGMTADZMQMSEL-DGCLKSJQSA-N 388.340 -0.271 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 478540660 HUTNXSVAAXXJAU-OAHLLOKOSA-N 384.414 -0.013 5 20 GBBD COC(=O)c1cn(C2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 507630603 KBTAHCDMUQVCHP-UHFFFAOYSA-N 388.340 -0.214 5 20 GBBD NS(=O)(=O)[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 535230213 MAYAJXVFZPELBB-JTQLQIEISA-N 384.370 -0.790 5 20 GBBD CNC(=O)[C@@H]1CN(c2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])CCO1 541935003 FITRKOOUNAESMP-YGRLFVJLSA-N 394.384 -0.163 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CC[C@@H](O)C1 600531174 DZNRECLIUQJABX-CYBMUJFWSA-N 386.430 -0.554 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 746236870 MRYLQOZMLSUPDQ-UWVGGRQHSA-N 379.381 -0.060 5 20 GBBD C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CCn1ccc([N+](=O)[O-])n1 820804408 RVPBBZXCQJCEDV-LLVKDONJSA-N 385.392 -0.028 5 20 GBBD O=C1NCCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826482951 VZMSDTVBOUFXPS-MRVPVSSYSA-N 381.374 -0.278 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CNC(=O)CNC(C)=O 918759572 KLMRRBYFSZBHEU-SECBINFHSA-N 396.356 -0.274 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCN(C(=O)C2CC2)CC1 1325314778 VAIVMCBWCMNOJO-UHFFFAOYSA-N 378.389 -0.622 5 20 GBBD NC(=O)[C@@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1796087095 QXHLHHWSVAVCEO-USZNOCQGSA-N 392.416 -0.233 5 20 GBBD O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)CN1 1800524722 WVGAXAITPSKHGR-ZVXAKGHKSA-N 391.384 -0.738 5 20 GBBD COC[C@@H](O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 265402604 PZVJLXRHJKWBOP-NSHDSACASA-N 376.391 -0.820 5 20 GBBD Cn1cc(N2CC[C@@H](NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cn1 265419934 WZDKRJRLAWGZAP-CQSZACIVSA-N 386.368 -0.020 5 20 GBBD CS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 284177341 UUXIQASRFRROQQ-UHFFFAOYSA-N 384.414 -0.596 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc2c(c1F)CCNC2=O 285393173 WECNXPRJDXHULO-UHFFFAOYSA-N 390.331 -0.029 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 293745848 QZZQLBVWWBDMIY-VHSXEESVSA-N 391.427 -0.578 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCS1(=O)=O 572613606 HWUOURJZBUONIT-GFCCVEGCSA-N 391.427 -0.434 5 20 GBBD O=C(O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 591566713 OVCUSKHVPNTNHO-CQSZACIVSA-N 392.368 -0.445 5 20 GBBD CC(C)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CC[C@H](N(C)C)C1 597691945 JFDRYHJATBUCAJ-STQMWFEESA-N 381.437 -0.120 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598899439 CNQBPRIAWSNPQZ-OAHLLOKOSA-N 395.416 -0.132 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 604466052 PEWOUGIAIHLUFU-UHFFFAOYSA-N 389.409 -0.377 5 20 GBBD CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 741115572 RPCXEKPKUFIUMO-LLVKDONJSA-N 389.390 -0.430 5 20 GBBD CCCCNC(=O)CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 747727519 VDQLVJOGWVUQKH-UHFFFAOYSA-N 379.417 -0.183 5 20 GBBD C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)OC[C@H](C)[N+](=O)[O-] 1589976609 KGCVSJGUXUKMLZ-IUCAKERBSA-N 384.374 -0.258 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)N1CCN(Cc2ccco2)CC1 1592937463 CKFHHRGPNFWYIB-UHFFFAOYSA-N 387.360 -0.091 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1794006013 FGPMDFFSTHEBGD-NFFDBFGFSA-N 393.400 -0.583 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1799756163 IDDLCXZBQCKCMO-WDAIWFPHSA-N 397.359 -0.444 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@@H]1CCCO1 1800727430 DCQFJFLLZPQQRM-LMWOUKEDSA-N 393.400 -0.440 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)c2ccc(O)nn2)C1 1842338302 QHSFXHWRJWWPQK-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)N2CCOCC2)cc1 57484548 HJHRBPWBVYZAEK-UHFFFAOYSA-N 394.431 -0.960 5 20 GBBD CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1=O 265880525 YKWNBTHDXBEPJC-UHFFFAOYSA-N 384.414 -0.106 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)c1=O 274723270 FZUOYZPORQJSSK-VIFPVBQESA-N 390.274 -0.022 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 287491148 YEKCVPCBPGARBH-DGCLKSJQSA-N 386.430 -0.019 5 20 GBBD Cc1cc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc([N+](=O)[O-])c1F 378553631 VXPLHOUXSLQNFX-UHFFFAOYSA-N 384.349 -0.022 5 20 GBBD CN(C[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O 511090649 NFPAMLMEMCAFOE-TZMCWYRMSA-N 375.451 -0.244 5 20 GBBD COC(=O)CCN(C)S(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O 547889589 PUJZHSLWVVSVCG-NSHDSACASA-N 389.386 -0.080 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCS(=O)(=O)NC[C@H]2CCCCO2)c1 572029709 ZCCZWTITJODFET-UONOGXRCSA-N 391.450 -0.770 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])CC1 574330741 VIKHPHZVBATYMI-UHFFFAOYSA-N 393.399 -0.441 5 20 GBBD Cn1cc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(O)nc1=O 609724744 JFIUQLIDKVNNOJ-UHFFFAOYSA-N 397.369 -0.898 5 20 GBBD COc1cccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] 618195859 JENFSKPQWPMYPM-UHFFFAOYSA-N 386.430 -0.090 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCCNS(C)(=O)=O 730628352 PDEAYPMAOZZWLD-UHFFFAOYSA-N 376.343 -0.113 5 20 GBBD C[S@](=O)CCN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 741291775 VGVOZLHIXSBHHP-SANMLTNESA-N 382.442 -0.153 5 20 GBBD Cn1nncc1C(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 798816128 HFEAESVRWYSNBE-UHFFFAOYSA-N 397.369 -0.037 5 20 GBBD CN1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O 826022336 JZTZPQJSHCJBAQ-VIFPVBQESA-N 381.374 -0.374 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1326646816 VCSXRYWNPUHSKX-GFCCVEGCSA-N 384.414 -0.596 5 20 GBBD CN(C)C(=O)NCCN(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1346252200 LOEBRQXWLVTGCT-UHFFFAOYSA-N 381.389 -0.181 5 20 GBBD CO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783982961 BFVBMJRWZGVZCH-LRDDRELGSA-N 381.389 -0.344 5 20 GBBD NC(=O)NC(=O)CCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 64431139 FSVNVSXIGSWOLI-UHFFFAOYSA-N 399.429 -0.124 5 20 GBBD NS(=O)(=O)CCCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 68455453 XQRXQGRNCJEFOW-UHFFFAOYSA-N 392.459 -0.420 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2COCCN2)CC1 262622913 JFWFJGUFSHTOKM-CQSZACIVSA-N 398.441 -0.275 5 20 GBBD COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 272771196 ZTHSBNBLBTWTOE-PWSUYJOCSA-N 381.341 -0.290 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCNCC1 423373308 JDYXEUVGLIMJNE-UHFFFAOYSA-N 375.385 -0.689 5 20 GBBD CNS(=O)(=O)CCNC(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-] 440164191 WZBBGYOYFIYFMC-UHFFFAOYSA-N 391.402 -0.092 5 20 GBBD O=C1NC[C@H]2CN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CCN2C1=O 472358134 FNLMHTSPKIGVLC-AWEZNQCLSA-N 389.412 -0.426 5 20 GBBD COCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 540276663 CPMWQTNAUWIVBM-LLVKDONJSA-N 375.407 -0.364 5 20 GBBD Cn1[nH]cnc1=NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 557344047 SNJPHKVUHPZBRV-UHFFFAOYSA-N 395.401 -0.316 5 20 GBBD C[C@@](O)(CO)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 565077688 QKVMBUGMJQRJJO-HIFRSBDPSA-N 387.414 -0.393 5 20 GBBD O=C(Nc1nc(N2CCNCC2)n[nH]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 572155237 CIRFFVFIIUCDCT-UHFFFAOYSA-N 384.360 -0.045 5 20 GBBD Cc1[nH]c(=NC[C@H](O)[C@@H]2CCCO2)[nH]c(=NC[C@@H](O)[C@H]2CCCO2)c1[N+](=O)[O-] 599131649 AAJXKIKIGUXSLY-RQJABVFESA-N 397.432 -0.559 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 619474543 ZMRYFWFGZHEYQT-UHFFFAOYSA-N 379.416 -0.131 5 20 GBBD Cc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(N)c([N+](=O)[O-])c1 729521640 ROPVQIAAFOILQO-JTQLQIEISA-N 384.414 -0.139 5 20 GBBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@@H](C(N)=O)C2)C1=O 747801831 BJOMBSLDGQZSLT-MLGOLLRUSA-N 377.357 -0.495 5 20 GBBD C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 748132223 GXLWUSPHZYIBOZ-AIPRNEOBSA-N 378.341 -0.115 5 20 GBBD CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 829847702 KPCLKFMGUPGMDH-UHFFFAOYSA-N 397.392 -0.242 5 20 GBBD NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830907164 RXSWJSCHXNWCPK-DUXHTMCSSA-N 394.384 -0.384 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 68302262 GVTOYJCZYXFWHE-UHFFFAOYSA-N 388.354 -0.214 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(Cl)c1 271002263 GIJFCCDLWRSXSQ-VXGBXAGGSA-N 376.822 -0.077 5 20 GBBD COCCN1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1=O 282562425 YOUHYCUGSCEKKB-UHFFFAOYSA-N 386.386 -0.561 5 20 GBBD CCN1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 297395374 BSXDDBZZSFISPT-UHFFFAOYSA-N 376.417 -0.198 5 20 GBBD NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-] 414339155 JMDWNZFMVMBXOL-VIFPVBQESA-N 375.384 -0.116 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 448866118 QEORWZVPTOPPNP-UHFFFAOYSA-N 380.386 -0.258 5 20 GBBD CS(=O)(=O)c1ccc(NCCNS(=O)(=O)NC2CC2)c([N+](=O)[O-])c1 475567832 SSZQMDIMFOBVSO-UHFFFAOYSA-N 378.432 -0.003 5 20 GBBD CCS(=O)(=O)NCCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 490766069 BLVSSBAGJNFWIC-UHFFFAOYSA-N 385.395 -0.040 5 20 GBBD COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 562465417 GVFQADQWEMSHNJ-GFCCVEGCSA-N 391.377 -0.114 5 20 GBBD O=[N+]([O-])c1ccc(N2CC[C@H](CO)[C@H](O)C2)nc1N1CC[C@H](CO)[C@H](O)C1 579897213 IYGQOVJOALNWNX-QHSBEEBCSA-N 382.417 -0.651 5 20 GBBD CCOCCS(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 732510711 BRAGRIPUGAGYTO-UHFFFAOYSA-N 387.370 -0.197 5 20 GBBD COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 797288305 UWNPBDFZKYGXPR-QMMMGPOBSA-N 383.342 -0.203 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)CC1 841121566 OZZCICPSGICHEW-ZIAGYGMSSA-N 397.409 -0.025 5 20 GBBD Cn1cc(C(=O)COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nn1 845075349 AQFNBKHQGAJLFQ-UHFFFAOYSA-N 375.297 -0.125 5 20 GBBD C[C@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-])n1cccn1 851329686 PNMOYYRPIFNXTP-SNVBAGLBSA-N 396.385 -0.289 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c(C)c1[N+](=O)[O-] 856734556 RKXSTUPGAUCOAN-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 916467157 PSMWRSNSZPCSOS-SNVBAGLBSA-N 385.354 -0.236 5 20 GBBD C[S@@](=O)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1591683461 WZXVTMSNZSRSGO-XMMPIXPASA-N 386.415 -0.036 5 20 GBBD CC[C@@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786970005 PKZUDJYQLBQTPU-RVMXOQNASA-N 394.432 -0.091 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2)C(O)O 1792801808 UTJIWVUNFQHIQT-FNVGDTMQSA-N 391.380 -0.492 5 20 GBBD O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nc1 267029408 LDVRKDBKFLFSFV-GFCCVEGCSA-N 390.443 -0.371 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 276015312 ABYQXYXAOOMZQI-UHFFFAOYSA-N 392.347 -0.164 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 276560054 HFAREICOLVADEX-HOTGVXAUSA-N 392.412 -0.148 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 277493558 NOGHOKGCANOVGD-UHFFFAOYSA-N 383.390 -0.644 5 20 GBBD C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 280748796 KGZJIUYAGAVGBI-CYBMUJFWSA-N 399.473 -0.375 5 20 GBBD Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 284429780 TUMGSICRKVWWOM-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD CCOC1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 294298271 CXEYNKKADQMONJ-RISCZKNCSA-N 399.425 -0.034 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOC[C@H](O)C1 297157180 JCPAFEPMQOMULA-GFCCVEGCSA-N 388.402 -0.724 5 20 GBBD CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416458907 RKQHQKDQUQAJGC-AWEZNQCLSA-N 390.370 -0.026 5 20 GBBD C[C@H](O)CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 428495684 CWZDINSHNGEPDO-ZDUSSCGKSA-N 379.417 -0.081 5 20 GBBD COc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] 444826174 NJEYDFKVPOSCQY-STQMWFEESA-N 399.425 -0.481 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[S@](=O)C1 475111086 PUXBGXJHQSPZCC-ZZDSUILFSA-N 390.443 -0.307 5 20 GBBD NS(=O)(=O)N1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 500937744 WKBYCEYHQWYHOK-UHFFFAOYSA-N 378.432 -0.712 5 20 GBBD CNc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] 523697396 CRJQDHMVKJZLMY-ZFWWWQNUSA-N 398.441 -0.136 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 541136406 CVMZKVSCYGYJPF-JTQLQIEISA-N 386.386 -0.308 5 20 GBBD CN(C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1)S(C)(=O)=O 552613585 OOGPRSWOHAWOMJ-LBPRGKRZSA-N 386.430 -0.114 5 20 GBBD CNc1nccc(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)c1[N+](=O)[O-] 566471124 SCLSWPJXCUIHPH-LBPRGKRZSA-N 394.432 -0.060 5 20 GBBD COc1cc(CCNC(=O)C(=O)NC[C@H]2COCCN2)c([N+](=O)[O-])cc1OC 599945368 FNECEKBIPOMDDP-LBPRGKRZSA-N 396.400 -0.625 5 20 GBBD O=C(NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 603593201 QJSXESDKWGKKHU-UHFFFAOYSA-N 396.425 -0.046 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 609737584 PQVFPYFRSMJIQO-GFCCVEGCSA-N 399.429 -0.456 5 20 GBBD CN(CC(=O)N1CCS(=O)(=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609988083 JMBMUHVIVBQGGA-UHFFFAOYSA-N 391.427 -0.528 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 846052268 DVFFPHVSURPIEA-UHFFFAOYSA-N 396.429 -0.011 5 20 GBBD Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)CC2 1117118060 DQUWHJOCCIRPEE-UHFFFAOYSA-N 385.380 -0.068 5 20 GBBD O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 1335302283 XTHDRFBVWFUROL-HRCADAONSA-N 385.442 -0.284 5 20 GBBD CC(=O)NCC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 1588855783 HXABAFSAUACQHC-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)O)C3)C2)n1 1783524585 ZMYXOJIMVCCBAR-PIGZYNQJSA-N 394.384 -0.177 5 20 GBBD CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832796240 PYOJKZQQSIQSAR-MRXNPFEDSA-N 381.389 -0.342 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034213 PEDVFSGYXXNJBG-UHFFFAOYSA-N 395.416 -0.974 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23754022 ZUNBJOAYEGPLPW-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)C[C@H]2COCCN2)c([N+](=O)[O-])c1 262033783 FIVSOVGOAKZCOA-NSHDSACASA-N 386.430 -0.095 5 20 GBBD CN(CC(=O)N[C@]1(CCO)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 277991657 CYGQGBKHULTMFC-OAHLLOKOSA-N 387.414 -0.127 5 20 GBBD O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 278029686 BBYFYQNAUANQEJ-UHFFFAOYSA-N 397.369 -0.029 5 20 GBBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 299727749 VNIALBWFFPFHIS-NSHDSACASA-N 389.368 -0.681 5 20 GBBD O=C(N[C@@H]1CC[C@H]1O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 425064234 ZGEDOIOCJCDZOR-JULQROHOSA-N 385.398 -0.642 5 20 GBBD CO[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 427758188 KKNFLABOPFBKIK-NSHDSACASA-N 375.359 -0.521 5 20 GBBD Cn1nnnc1-c1cccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1 427795524 ZWYNAWCCJNOGPP-UHFFFAOYSA-N 378.374 -0.040 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCC(=O)N1CCN(Cc2ccccc2)CC1 503699231 KWFKFUAWAPDXQW-UHFFFAOYSA-N 387.400 -0.353 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCC[C@H]2C(=O)NN=C2C)cc1[N+](=O)[O-] 541152699 MUMXPOCIVRCHBW-LLVKDONJSA-N 377.357 -0.039 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N(CCO)CCOCCO)OCCO2 565235274 LIKRCDDALFMDOS-UHFFFAOYSA-N 392.386 -0.642 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593527715 TWNXLUCSHOFLRO-UHFFFAOYSA-N 385.402 -0.653 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 598736059 XLFNQYJUJFXFFK-UHFFFAOYSA-N 375.359 -0.599 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600085798 QAHRIAUZBNTNSY-UHFFFAOYSA-N 399.429 -0.298 5 20 GBBD CNC(=O)Cn1cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 604183546 SQJCMFVZGBLHEW-UHFFFAOYSA-N 388.340 -0.099 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 611005533 RUHWYUHEFMWDRN-LLVKDONJSA-N 398.397 -0.530 5 20 GBBD CS(=O)(=O)C1(CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 1323668672 KMZVJJFWXPUTMF-UHFFFAOYSA-N 397.409 -0.122 5 20 GBBD C[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1331107243 SRUVIFYFEDMXCF-SFHVURJKSA-N 390.396 -0.138 5 20 GBBD CC(C)[C@H](O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841423733 UHUWFJWBZAHNOJ-HNNXBMFYSA-N 392.412 -0.023 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842839874 NENMRKQNJTVEFB-UHFFFAOYSA-N 392.416 -0.143 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 36820982 AOJNSVNVXDEEPH-UHFFFAOYSA-N 399.429 -0.725 5 20 GBBD C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 264194873 SJAYNPWHZOWVSP-LLVKDONJSA-N 385.398 -0.265 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 265394252 UWGPPYLIQWIOLS-CYBMUJFWSA-N 399.473 -0.375 5 20 GBBD CCN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 273487983 RTNNNQFXFXWUQN-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD NS(=O)(=O)CCCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 292859794 RIWLJIHZHHWRMV-UHFFFAOYSA-N 395.415 -0.287 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 378178063 ZASPIUKJNMQSIF-GFCCVEGCSA-N 382.398 -0.512 5 20 GBBD O=C(NC1[C@H]2CNC[C@H]12)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 418672726 NSZWGIFGUADOLM-KBPBESRZSA-N 395.441 -0.172 5 20 GBBD NC(=O)C1(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOCC1 515503704 AUYXKFCZVOVSJO-UHFFFAOYSA-N 392.368 -0.282 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 517759760 VIYCBAQNHRUWHQ-VXGBXAGGSA-N 391.384 -0.298 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])CC1 565061030 SHFWXAHJZRIWHA-UHFFFAOYSA-N 393.399 -0.441 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CCO[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 599188624 UYICUSNTTXFFNY-CMPLNLGQSA-N 394.384 -0.033 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@@H](CO)c2cnn(C)c2)cc1[N+](=O)[O-] 611508278 LDGDHURPTDZYAR-LBPRGKRZSA-N 377.357 -0.084 5 20 GBBD NC(=O)[C@@H](O)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 618923607 IZKNGTAWXSFGEN-QMMMGPOBSA-N 379.110 -0.225 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 619490159 ZXDXCMOUPBORTH-LBPRGKRZSA-N 389.430 -0.083 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N 808033782 GLABENSUIQHVJG-ZDUSSCGKSA-N 398.347 -0.164 5 20 GBBD COC(=O)c1ccc(CS(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 920335677 CHHNNZPIUCVJQS-UHFFFAOYSA-N 383.342 -0.381 5 20 GBBD CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1117054352 RAOPHBMOYYFFDE-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD CC(C)NS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 1328015476 KLNYQLMFUPDLHN-UHFFFAOYSA-N 386.430 -0.003 5 20 GBBD O=C(N[C@H]1C[C@H](C(=O)O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1601575446 DLOSAKDWWLBONF-XYPYZODXSA-N 377.357 -0.382 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 1601854607 QXIYIHGCJYIPER-CYBMUJFWSA-N 383.382 -0.333 5 20 GBBD O=C(c1cc(O)no1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380811 MZSAJKKJWXKEKX-HNNXBMFYSA-N 392.328 -0.231 5 20 GBBD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)ccc1[N+](=O)[O-] 1785177711 DSCZGIGZTQQFNP-QGZVFWFLSA-N 395.368 -0.642 5 20 GBBD CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847341775 XOJKBXDKSOOFFX-STQMWFEESA-N 393.404 -0.736 5 20 GBBD O=C1NC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CCN2C1=O 360130521 PTDXVZJZOXGQNZ-ZDUSSCGKSA-N 387.396 -0.022 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1COCCN1C 421982567 HNHAYUHHHKHIFB-AWEZNQCLSA-N 386.430 -0.338 5 20 GBBD CN(C)C(=O)NCCNc1nc(NCCNC(=O)N(C)C)c([N+](=O)[O-])s1 428153748 MYDIHKGHNMENDC-UHFFFAOYSA-N 388.454 0.418 5 20 GBBD Cc1nn(Cc2ccc(C(=O)N(CC(N)=O)CC(N)=O)cc2)c(C)c1[N+](=O)[O-] 499981376 IKMUNUJYCSOGGM-UHFFFAOYSA-N 388.384 -0.131 5 20 GBBD O=C(C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516548167 HCJIWBWUTVYKNL-QEJZJMRPSA-N 389.412 -0.132 5 20 GBBD COC[C@]1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCN1 566973959 MNRPFWIONYXWBL-OAHLLOKOSA-N 386.430 -0.242 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] 583152806 CGGCZUUQLFWYFA-JTQLQIEISA-N 386.434 -0.037 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 598030386 UWWPNEGODVBHAI-MFKMUULPSA-N 399.381 -0.752 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N3C[C@H](C(=O)O)CC3=O)C2)n1 600653931 QQHHBQUKJROBBW-BDAKNGLRSA-N 387.374 -0.976 5 20 GBBD CNC(=O)[C@H](O)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 757692477 FOBUNCCOMTWPGK-CYBMUJFWSA-N 388.402 -0.866 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 768805058 DJWUOKHWEDOMNE-UHFFFAOYSA-N 384.461 -0.231 5 20 GBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 823123114 OKOGGGNMHVJJQT-VIFPVBQESA-N 385.348 -0.526 5 20 GBBD O=C(C(=O)N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 825278480 CVFMYPMFDORJJG-OAHLLOKOSA-N 390.396 -0.079 5 20 GBBD COc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)ccc1[N+](=O)[O-] 849432954 CIEJWJJVZWANBL-JOYOIKCWSA-N 380.400 -0.306 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1CCN([C@H]2CCOC2)CC1 1328148410 NNLLJDOHBSOMCB-ZDUSSCGKSA-N 380.405 -0.723 5 20 GBBD CN1C[C@@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1=O 1579319788 CAWFWGRVNNNDGX-VIFPVBQESA-N 395.401 -0.078 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1841618419 ZOZYDAJMWYEUOW-SNVBAGLBSA-N 399.429 -0.184 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 24698763 YUBSPJGRQKJWHL-UHFFFAOYSA-N 397.457 -0.155 5 20 GBBD N[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 419875005 WGNCLUMYEMKTHH-NSHDSACASA-N 395.441 -0.206 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)[C@H]1CCOC1 420717105 CPPCBXXFEKGXHR-ZDUSSCGKSA-N 393.443 -0.076 5 20 GBBD C[C@H]1CCNC(=O)[C@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 443032333 AFKVYELSZCAOFG-HZMBPMFUSA-N 384.414 -0.096 5 20 GBBD O=[N+]([O-])c1ccc(NCCNS(=O)(=O)N2CCS(=O)(=O)CC2)cc1 500327085 JESVCTUPHSURCO-UHFFFAOYSA-N 378.432 -0.429 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNS(=O)(=O)N(C)C 513133997 RIMISUHJLONMOF-SNVBAGLBSA-N 391.454 -0.661 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](C(=O)OC)C1 543186465 HOYNOIAITVBXNS-NSHDSACASA-N 388.354 -0.056 5 20 GBBD CNS(=O)(=O)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 578758829 ANCLTPHTJMMLBB-JTQLQIEISA-N 375.432 -0.088 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCNC2=O)CC1 596643038 RHPRFAHLRYRXHG-ZDUSSCGKSA-N 396.425 -0.128 5 20 GBBD CN(C)CCN(CC(=O)N(C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 598183871 BIDFDSRGEQVRJP-UHFFFAOYSA-N 379.417 -0.197 5 20 GBBD C[C@@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1 733566186 ZUGPZKRWYDPBLK-MRVPVSSYSA-N 378.297 -0.114 5 20 GBBD C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 788531180 UZQJQWDOCCDLKI-GXFFZTMASA-N 398.397 -0.075 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)c1cn(CC(=O)N(C)C)nn1 789476464 VVCHSAHWVMPWOE-UHFFFAOYSA-N 396.385 -0.298 5 20 GBBD CN(C(=O)COC(=O)CN(C)S(=O)(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 845201871 XHNFGHYPBOMIBI-UHFFFAOYSA-N 388.402 -0.161 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1=O 1323353182 RFWMGSJIWUYDKI-UHFFFAOYSA-N 378.385 -0.163 5 20 GBBD C[C@@H]1CN(CCO)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590307650 JHRATWOYAILYOR-SNVBAGLBSA-N 397.417 -0.538 5 20 GBBD O=C(c1ncon1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779867794 WTDCTEWKDVHKLI-AWEZNQCLSA-N 377.317 -0.542 5 20 GBBD CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999788 MUXUBUWGTICJCB-VZAMPYOESA-N 395.416 -0.602 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845912886 ZTZQJSHJUMNQKL-JTQLQIEISA-N 397.413 -0.288 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCC(=O)NC2CC2)c([N+](=O)[O-])c1 52568380 ZTVAXMUPUGXZJL-UHFFFAOYSA-N 385.402 -0.561 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 298206456 LJVXYYJTYONNQG-GXFFZTMASA-N 392.368 -0.397 5 20 GBBD CCN1CCO[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 369942452 MXHWJTDIKLPCBU-CQSZACIVSA-N 386.430 -0.290 5 20 GBBD O=C(NCCN1CCNCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 418293840 FZPSEXWVXMVADU-UHFFFAOYSA-N 390.444 -0.033 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCCNC1 420005229 WGFJVGSRMIEATP-GFCCVEGCSA-N 398.441 -0.257 5 20 GBBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CN(C)NC1=O 450612988 LRCBGSWHKXALSM-CHWSQXEVSA-N 395.441 -0.092 5 20 GBBD CS(=O)(=O)c1cccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] 497518422 XZXPSKOPJAFUIJ-UHFFFAOYSA-N 396.425 -0.075 5 20 GBBD CN(CC(=O)N1CCCN(C(N)=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523153233 YUJYHGCJNDDJGA-UHFFFAOYSA-N 399.429 -0.172 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598905737 MOFOJLKYFATMPW-UHFFFAOYSA-N 385.402 -0.087 5 20 GBBD NC(=O)CN1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 737752569 HRAGLBFZLQVXRX-UHFFFAOYSA-N 383.372 -0.070 5 20 GBBD C[C@H](C(=O)N1CCOC[C@H]1C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 825990583 NRVYMLFOBIQDFI-KCJUWKMLSA-N 377.309 -0.109 5 20 GBBD NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)O1 826390184 SDMGODMGKNYZHI-VXNVDRBHSA-N 397.373 -0.914 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 845115679 CEXKSFBOECXBMR-UHFFFAOYSA-N 379.281 -0.155 5 20 GBBD NC(=O)C1(O)CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 854358615 ZGRHIPDUWKLJQT-UHFFFAOYSA-N 398.322 -0.128 5 20 GBBD O=C(c1csnn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382915 LXXKFVRNDCXNAM-AWEZNQCLSA-N 393.385 -0.073 5 20 GBBD O=C1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)N1 1841999443 TUPOZQSKHOZHIM-LBPRGKRZSA-N 376.373 -0.727 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 265882954 YZUOIXFPXYLGAW-UHFFFAOYSA-N 378.432 -0.810 5 20 GBBD C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 272336779 OPYVPEUWZWHZRE-VIFPVBQESA-N 399.381 -0.301 5 20 GBBD COCC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 281294198 SXJUSPSAYJNUDD-NSHDSACASA-N 390.418 -0.430 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 288881945 HUHFODZRCDLZSM-WCBMZHEXSA-N 381.366 -0.260 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 296158122 KZDWCZSIEYMXAR-QMMMGPOBSA-N 378.341 -0.025 5 20 GBBD CCS(=O)(=O)NCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 298399989 AFOXZGZKJFDICC-UHFFFAOYSA-N 390.443 -0.159 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 368183441 XKJNYPNLXMYGFV-CYBMUJFWSA-N 377.444 -0.008 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 426888888 KCKVELKUOOZCOB-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC(F)F 444025280 OXKGECBIEPXLJU-UHFFFAOYSA-N 380.329 -0.629 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC(=O)N1 459845873 JDCRUMPLDYKBTC-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c([N+](=O)[O-])n1 533174672 ZLIVWJIFBBFFSP-LBPRGKRZSA-N 389.434 -0.027 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H](C)CN1 568869459 IEPHMOJJPRMODL-STQMWFEESA-N 376.417 -0.153 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)c(C)c([N+](=O)[O-])c1 591564361 MFNMXYLZKNRROO-LBPRGKRZSA-N 395.324 -0.060 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 593817223 YZRIUGNKJODXBE-CHWSQXEVSA-N 387.414 -0.129 5 20 GBBD COC(=O)C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)OC 600843470 YNAMZXDVFGYVEP-SNVBAGLBSA-N 395.324 -0.459 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O 609725357 CNWKTPANEMYFOY-JTQLQIEISA-N 398.397 -0.473 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1C[C@@H](O)C[C@@H](O)C1 610669068 CFPKRFMSVAKZRT-AXFHLTTASA-N 387.414 -0.007 5 20 GBBD C[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748132233 GXLWUSPHZYIBOZ-YQPPGCHHSA-N 378.341 -0.115 5 20 GBBD COc1ccc(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] 813949267 RDUZUZBNQOXCLO-UHFFFAOYSA-N 386.386 -0.258 5 20 GBBD O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)N[C@@H]1CCS(=O)(=O)C1 1320434220 FAKWEVDTBAUUSY-MRVPVSSYSA-N 394.203 -0.178 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1cc(F)ccc1-c1nn[nH]n1 1593310204 HTTAARQWWKBZQN-ZIAGYGMSSA-N 393.379 -0.419 5 20 GBBD CC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477014 WSABMWDRKSWKSE-YFKTTZPYSA-N 381.389 -0.318 5 20 GBBD Cn1ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011101 ONWXWUBQHVWPQI-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD Cn1cc(CC(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)cn1 1846635609 UUAQXZWGIMDOSA-UHFFFAOYSA-N 387.400 -0.029 5 20 GBBD NC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 52392182 LGXKVEIHFIJSPB-LLVKDONJSA-N 384.414 -0.073 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 68302793 YVCTWDQJGGUXSB-UHFFFAOYSA-N 393.308 -0.635 5 20 GBBD O=C1CC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C(=O)N1 276227469 PJSSCUZEEKGGLS-MRVPVSSYSA-N 392.324 -0.384 5 20 GBBD Cc1ccc(C)c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-] 276782374 IFUIVVWFBHEHPS-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)CO 288646943 XEMNHVDXQDGSHX-ZJUUUORDSA-N 379.373 -0.323 5 20 GBBD O=C1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1 436012352 IHCOCQZEABQEOQ-NSHDSACASA-N 384.370 -0.815 5 20 GBBD COC(=O)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C(=O)OC 511331268 CPZMDKJLRZXUSA-BXUZGUMPSA-N 381.341 -0.290 5 20 GBBD COCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 540276665 CPMWQTNAUWIVBM-NSHDSACASA-N 375.407 -0.364 5 20 GBBD O=C(O)CSCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 576075917 DWYDQUCSLYJTHJ-UHFFFAOYSA-N 377.400 -0.193 5 20 GBBD CN1C[C@@H](C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)NC1=O 597787623 DSGCOFOBEMGCRT-LBPRGKRZSA-N 385.402 -0.645 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 598029233 QUNKNPIGFTYKTO-NEPJUHHUSA-N 397.365 -0.881 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)n1 599300854 YAELHJKBDAHCBV-IUCAKERBSA-N 381.436 -0.676 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 599316162 LKNBVQXLEYCXFI-UWVGGRQHSA-N 395.463 -0.285 5 20 GBBD C[S@](=O)CCN1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 771148713 XQMZMTYYTZWXKG-QHCPKHFHSA-N 376.460 -0.257 5 20 GBBD Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 838285926 PVILXFLKUNNKOB-ZDUSSCGKSA-N 384.370 -0.117 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 1329130492 OJQGSDKKFHTVOH-KBPBESRZSA-N 399.425 -0.476 5 20 GBBD O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)N1 1795287838 JATCKHJVLYCWTK-DDIVZENXSA-N 391.384 -0.595 5 20 GBBD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840020286 QBFCCIVQXIKINJ-BZNIZROVSA-N 383.357 -0.361 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 21913574 BQFTYDRHSFJVBN-UHFFFAOYSA-N 398.441 -0.240 5 20 GBBD O=C1CN(C(=O)COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCN1 29375562 AQKYWHRSTPGKMX-UHFFFAOYSA-N 378.341 -0.784 5 20 GBBD O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 274940778 GGVFRDGHALZTEP-QMMMGPOBSA-N 375.334 -0.055 5 20 GBBD Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 419455285 ONUDSGZFQRFNTI-CYBMUJFWSA-N 379.417 -0.074 5 20 GBBD O=C(Cn1cnc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n1)NCc1ccccc1 506486673 OQXBLRQMTXBIJN-UHFFFAOYSA-N 385.344 -0.267 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCNC(=O)c1cc[nH]n1 508196462 ZLCBJFRIWHDDQG-UHFFFAOYSA-N 388.340 -0.411 5 20 GBBD CS(=O)(=O)NCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 518916804 WIJQCCYPQLWOCW-SNVBAGLBSA-N 388.402 -0.152 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 569589162 IKDRHYWUTHWIOI-LBPRGKRZSA-N 392.416 -0.423 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598601028 CUYIJBZVGKCQGW-CYBMUJFWSA-N 382.421 -0.649 5 20 GBBD O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)nc1NCCN1CC[C@@H](O)C1 599175391 ALRRDKILNLWIJW-ZIAGYGMSSA-N 380.449 -0.053 5 20 GBBD CCN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 619803321 PAPHZVPBSUZQBP-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CCO[C@H](c2nn[nH]n2)C1 732090471 KDJDLLOCNVHMLU-KOLCDFICSA-N 391.344 -0.094 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1=O 1117117381 ZQDOQVKSXIALBD-UHFFFAOYSA-N 394.384 -0.463 5 20 GBBD C[C@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CCCN1 1779387098 QYXTYFDZXIPLOT-IAGOWNOFSA-N 392.416 -0.097 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(CCN(C(=O)C3CC3)C2)C1 1784910402 TXNUUKQUKUAUAJ-GOSISDBHSA-N 390.396 -0.004 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1csnn1 1793499975 XHADNMSTZRHSGK-AKZRSSKFSA-N 393.385 -0.314 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011983 HVYGQERLLWGUHN-GNXNZQSNSA-N 393.400 -0.174 5 20 GBBD O=C(CCN1C(=O)CCC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 109255305 JMEIBKSDHDKTQD-UHFFFAOYSA-N 398.397 -0.472 5 20 GBBD COC(=O)[C@H](C)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 263670355 CMUPWHMPUPHKAC-SECBINFHSA-N 388.402 -0.031 5 20 GBBD C[C@H](CO)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 267177173 JNMTXTWIVKSFJM-GFCCVEGCSA-N 388.446 -0.002 5 20 GBBD COC(=O)[C@@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 267769165 KLIICQGAZRUDRC-LBPRGKRZSA-N 387.370 -0.435 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H](C)CO 297881186 UTKPAEKNZZZBPM-KBPBESRZSA-N 394.428 -0.166 5 20 GBBD CN1CCN(C(=O)CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 420998369 BOLITDMGHUURSC-UHFFFAOYSA-N 399.473 -0.421 5 20 GBBD O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 446738520 IRASNOVVFUTXFY-ZDUSSCGKSA-N 396.425 -0.034 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(NC[C@@](C)(O)CO)c([N+](=O)[O-])c1 480838450 IHOUXKDEKQTQTR-OAHLLOKOSA-N 390.462 -0.020 5 20 GBBD CCN(CC)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 503493904 LNDXZTSAQVEDCU-GFCCVEGCSA-N 388.450 -0.456 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCN1C(=O)CNC1=O 521723545 VDMITTKLHYMERU-UHFFFAOYSA-N 391.340 -0.622 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])n1 533175017 WMQGNFDWLSRMSR-SECBINFHSA-N 381.436 -0.487 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O 541114025 SXVMPQBPSGYTBI-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593559206 YEEHZSWQLFMHJT-LKFCYVNXSA-N 383.386 -0.011 5 20 GBBD O=C1NCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 596656121 GMXPLUZYRPXUMU-NSHDSACASA-N 397.413 -0.501 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(N)=O 609953871 JDBXJHKDAGIBOX-CYBMUJFWSA-N 393.400 -0.002 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)N(C)C 726892477 AFUWLCQQOSWSFA-QGHHPUGFSA-N 391.384 -0.045 5 20 GBBD CN(C)C[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825856555 WWQGBKMYFXOLTR-CYBMUJFWSA-N 385.406 -0.634 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(=O)CN2CCc3ccccc3C2=O)n1 861326388 INXMGXGIRLDRTF-UHFFFAOYSA-N 393.381 -0.168 5 20 GBBD CCS(=O)(=O)CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1322476897 BJRKUMQMCRPUET-UHFFFAOYSA-N 385.398 -0.265 5 20 GBBD CCN(C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)[C@@H]1CCS(=O)(=O)C1 1590667257 VTWFUBXEYCMHQY-RKDXNWHRSA-N 398.405 -0.432 5 20 GBBD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 22357813 HAMNXMYELSMBAA-GFCCVEGCSA-N 377.401 -0.432 5 20 GBBD C[C@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 23755282 RSWZKQRNWZOJFX-SNVBAGLBSA-N 385.402 -0.516 5 20 GBBD CCN1CCN(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C(=O)C1=O 48306540 WIPPJBUZVKVVRR-UHFFFAOYSA-N 389.412 -0.066 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)CN3CCOCC3)CC2)n1 281038105 VERRGSCCBUFWAB-UHFFFAOYSA-N 393.400 -0.243 5 20 GBBD COCC[C@@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 281579390 LZLUUCNGIADMSA-JTQLQIEISA-N 390.418 -0.442 5 20 GBBD O=C(N[C@@H]1CCNC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 418386456 QEENBZIJGXDVBM-GFCCVEGCSA-N 383.430 -0.027 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 445066389 LKFMYAXTWNHPKV-LBPRGKRZSA-N 392.411 -0.303 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 553327964 YTBCVIIFRITMOU-UHFFFAOYSA-N 385.446 -0.018 5 20 GBBD CCN(CCOCCO)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 556801674 NKDBWLCULDGTMK-UHFFFAOYSA-N 395.416 -0.504 5 20 GBBD CN(C)[C@H]1CN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O 596568402 NAZAPMGMOLKCST-KBPBESRZSA-N 386.430 -0.315 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 596614191 ODEFGUVLECAWHB-UHFFFAOYSA-N 389.438 -0.466 5 20 GBBD O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1C[C@H](O)[C@@H](O)C1 600216664 ALADKRPREMHQSD-CQDKDKBSSA-N 399.425 -0.441 5 20 GBBD Cn1c(=O)ccn(CC(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1=O 731512086 SJWMYVOWIUPAGA-CYBMUJFWSA-N 388.336 -0.196 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCN1S(C)(=O)=O 1325855528 XTPOXJWEIWAGRZ-NSHDSACASA-N 396.425 -0.071 5 20 GBBD CCN(CCOCCO)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590715640 NVCAVZIKBYLITN-UHFFFAOYSA-N 386.390 -0.206 5 20 GBBD CN1C[C@@H](C(=O)O)N(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1=O 1606198211 SKPZISMFKFYJNF-QWHCGFSZSA-N 376.325 -0.158 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389523 QTLYXZOBKUQMQU-HWPZZCPQSA-N 394.388 -0.714 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1781246662 AWYJHFOLMAZGCB-BZNIZROVSA-N 379.373 -0.499 5 20 GBBD C[C@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 130276765 WLXXEHSRGXECPR-ZBFHGGJFSA-N 380.449 -0.219 5 20 GBBD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 268639820 QWFPRXUQYKLJRU-GFCCVEGCSA-N 382.398 -0.457 5 20 GBBD C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 292099076 MBYKDAKLLYHIJL-GVXVVHGQSA-N 387.414 -0.442 5 20 GBBD CCN(CCOCCO)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 295183920 CDYORANGXIBPTL-UHFFFAOYSA-N 375.403 -0.270 5 20 GBBD COC(=O)c1cn([C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)nn1 364009172 ZWZOJTAMJBBECR-LLVKDONJSA-N 390.356 -0.002 5 20 GBBD CN1C[C@@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])NC1=O 596681706 HPJZDPLUMSAZLZ-NSHDSACASA-N 385.402 -0.450 5 20 GBBD O=C(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N[C@H]1CCS(=O)(=O)C1 1116346306 RQLJQOUOIKEOKH-RYUDHWBXSA-N 383.430 -0.221 5 20 GBBD CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1257453927 KRBXUCAFMGKMOU-ZDUSSCGKSA-N 398.441 -0.206 5 20 GBBD O=C(O)[C@H](CN1CCOCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 1329671703 HVJBSSXGTMIJJR-AWEZNQCLSA-N 387.414 -0.158 5 20 GBBD COCC(=O)NCCN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1605039336 FDONSWIATLAOSR-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1779380747 ABCPGUDPHKZLMJ-ZBEGNZNMSA-N 376.373 -0.711 5 20 GBBD CC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354804 GLOSFWAXMQALCY-CLLJXQQHSA-N 376.369 -0.016 5 20 GBBD C[C@@H](CN)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842870781 KVLUGPVDUSQDPG-LBPRGKRZSA-N 377.401 -0.445 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 265706499 SRXOQPPABGMVHX-CQSZACIVSA-N 399.473 -0.423 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 267995452 BISMBLMOMULXEK-UHFFFAOYSA-N 382.402 -0.165 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 276299748 VLZWASUUPZLRSP-UHFFFAOYSA-N 390.356 -0.597 5 20 GBBD COCC(=O)NC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 276336990 JICUYRNBOSEQHS-UHFFFAOYSA-N 387.370 -0.483 5 20 GBBD O=C(c1cn(CCO)c(=O)nc1O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 498053751 HUCAJLIJYSUTPT-UHFFFAOYSA-N 389.368 -0.188 5 20 GBBD CNC(=O)Cn1cc(NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cn1 515930247 ABUVIJSJIDKXTM-UHFFFAOYSA-N 390.356 -0.086 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)N1 593603285 KRXGNCSEZLLEBD-NSHDSACASA-N 377.400 -0.824 5 20 GBBD CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 597654500 RVATZLNDWQBWMN-SECBINFHSA-N 381.418 -0.078 5 20 GBBD CN(Cc1nnc(O)o1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 598747022 WZXSPRIJBYPVJO-UHFFFAOYSA-N 385.358 -0.038 5 20 GBBD C[S@@](=O)CCN1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 771148710 XQMZMTYYTZWXKG-HSZRJFAPSA-N 376.460 -0.257 5 20 GBBD O=C(CO)N1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 826414995 OAQYAKQEHOYKLM-UHFFFAOYSA-N 384.356 -0.036 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 1321768358 YAXFIKFCRZREGZ-GWCFXTLKSA-N 384.414 -0.078 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] 1323573006 GGNYSEXTNWSVFN-UHFFFAOYSA-N 391.428 -0.248 5 20 GBBD C[C@@H](N)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1329610128 URIDGSZMOBZLLT-SNVBAGLBSA-N 383.430 -0.254 5 20 GBBD Nc1c([N+](=O)[O-])ccc(N2CCN(CC(=O)NC3CC3)CC2)c1-c1nn[nH]n1 1592757928 VKZNZGGYVFRAMM-UHFFFAOYSA-N 387.404 -0.242 5 20 GBBD CC(C)(CNS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-])NS(C)(=O)=O 1776294738 LMUHGSISYSGLPS-UHFFFAOYSA-N 395.415 -0.101 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388103 WZGLCWZFEUTYRQ-JTQLQIEISA-N 399.429 -0.184 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)[C@@H]2CCOC2)c1 265462558 GZRDXVLDKACQNH-GFCCVEGCSA-N 379.416 -0.419 5 20 GBBD COCC(=O)N(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 270349334 UCXPKZHPXGHHEH-UHFFFAOYSA-N 378.385 -0.016 5 20 GBBD CNC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 270451174 JHYKWBGKIKIISK-UHFFFAOYSA-N 399.429 -0.335 5 20 GBBD NC(=O)C1=NO[C@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 275899822 PKEAPZLYPKFPMT-ZETCQYMHSA-N 386.342 -0.726 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)C[C@H]2CNCCO2)c([N+](=O)[O-])c1 429676841 LSSDERKEJQAAIU-NSHDSACASA-N 386.430 -0.095 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 468998659 NVDNSPWNFRRZQZ-UHFFFAOYSA-N 385.446 -0.300 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 487751547 AZSUGYORLGBDIL-ZDUSSCGKSA-N 379.325 -0.279 5 20 GBBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CS(=O)(=O)CCO1 507888669 COFKVDPQBWLFGO-LBPRGKRZSA-N 378.428 -0.130 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCc3nc(COC)nn3C2)c([N+](=O)[O-])n1 532856336 RFBKRQRMBIUSIL-SECBINFHSA-N 385.406 -0.158 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 592917117 QCJRRVWIHQYOAA-ZYHUDNBSSA-N 393.352 -0.297 5 20 GBBD N[C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 598730984 FNRNAPUZVLIJBY-ACJLOTCBSA-N 388.428 -0.022 5 20 GBBD N[C@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(c3ncccc3[N+](=O)[O-])CC1)C2 598732564 SIPBWTMZGBTADM-ACJLOTCBSA-N 388.428 -0.022 5 20 GBBD CN1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 613865158 AFXHUFVMJCHLSE-LBPRGKRZSA-N 396.425 -0.094 5 20 GBBD CCOC(=O)C1=C(COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)NC(=O)N[C@H]1C 748485796 OIAYSJHAYNXIBO-VIFPVBQESA-N 394.340 -0.182 5 20 GBBD CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCS(=O)(=O)C1 779102860 DMMWBMWWFUNYIB-SECBINFHSA-N 386.386 -0.236 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1323535892 JQVYCBLXVSQKAP-UHFFFAOYSA-N 384.414 -0.739 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(O)(CN2CCOCC2)CC1 1593466811 XWEXWBAGBBLEMQ-UHFFFAOYSA-N 390.404 -0.167 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 1777620432 NOQLORDNIZFPQY-SNVBAGLBSA-N 382.347 -0.394 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)c1ccc([N+](=O)[O-])[nH]1 1798745487 YAWDHRUGYNATQE-QHBPRCKVSA-N 389.372 -0.582 5 20 GBBD Cn1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]cc2[N+](=O)[O-])cc1O 1848329280 XBZUNRCMEZGTBT-UWVGGRQHSA-N 375.345 -0.114 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 3509888 GFCAHCWHIUUOMS-UHFFFAOYSA-N 392.324 -0.621 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 53316134 QOOLMVLIOMEZNV-UHFFFAOYSA-N 384.370 -0.394 5 20 GBBD C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 264724252 GZTKUIKMKUMWBE-JTQLQIEISA-N 394.348 -0.441 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 265268967 LSLFDFAPXUUJLK-UHFFFAOYSA-N 383.380 -0.164 5 20 GBBD COc1ccc(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 267444282 GMJLGDAHLTVTLE-LLVKDONJSA-N 391.384 -0.425 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1C 268922419 DBMYTMKGFTXQSD-UHFFFAOYSA-N 397.417 -0.634 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280750637 KLOZZMHMXHGIRA-UHFFFAOYSA-N 379.416 -0.624 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 283336527 WZJCXJUIRIUREC-SNVBAGLBSA-N 385.398 -0.337 5 20 GBBD CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 298328472 YOGUHZKBQGWXSU-UHFFFAOYSA-N 384.414 -0.128 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 363949634 BGHKJPGMXBNYSZ-JTQLQIEISA-N 379.416 -0.084 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] 416373969 MVWFTGPVVZUJFN-UHFFFAOYSA-N 381.388 -0.791 5 20 GBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1Cc2nnc(O)n2C[C@H]1C(=O)O 424384548 BWBXVYHZYBJVTP-VIFPVBQESA-N 383.342 -0.142 5 20 GBBD Cn1ccnc(N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)c1=O 467017405 SKQSXPDWRNJWID-UHFFFAOYSA-N 394.413 -0.338 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 522643636 IHUKRTFONYTWMI-LLVKDONJSA-N 380.386 -0.061 5 20 GBBD CNc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 523374313 PRDWHPMYWHRJPL-CABCVRRESA-N 398.441 -0.448 5 20 GBBD C[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)N(C)C 559450407 NKBCCYCMSUBDSU-ZDUSSCGKSA-N 391.428 -0.055 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CO)CCF 593325538 FBXQFBQQPDCYIZ-SNVBAGLBSA-N 378.382 -0.107 5 20 GBBD Cn1c(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(=O)n(C)c1=O 596133609 XTBPPOYONOLOQD-UHFFFAOYSA-N 383.386 -0.617 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)[C@@H]1CCOC1 733718067 DHGGULUNNREBRH-MRVPVSSYSA-N 383.338 -0.574 5 20 GBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 797288304 UWNPBDFZKYGXPR-MRVPVSSYSA-N 383.342 -0.203 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 824301414 YLUZKALZHLHBEM-UHFFFAOYSA-N 389.376 -0.657 5 20 GBBD CN1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O 826022335 JZTZPQJSHCJBAQ-SECBINFHSA-N 381.374 -0.374 5 20 GBBD COC(=O)CNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 928988727 NIQJJJITBVROCR-SECBINFHSA-N 397.315 -0.081 5 20 GBBD CN(Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 1591136809 JOMARCJPIQDRBC-AWEZNQCLSA-N 377.405 -0.100 5 20 GBBD O=C(c1nc[nH]n1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379416 KXGBTQZBNYSPCN-AWEZNQCLSA-N 376.333 -0.807 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1ncon1 1789085720 NIEUNWDGUCQEQQ-GUBZILKMSA-N 391.344 -0.392 5 20 GBBD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)ccc1[N+](=O)[O-] 1802093767 JHWGADHGPJHOOK-DPIQGUFMSA-N 380.376 -0.175 5 20 GBBD COc1cc(CC(=O)N2CC3(CCCN3C(=O)C(O)O)C2)ccc1[N+](=O)[O-] 1841235649 AKCHUPUEVRVQCZ-UHFFFAOYSA-N 379.369 -0.340 5 20 GBBD COc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c([N+](=O)[O-])c1 66059716 AWYZDEAHMRNREP-UHFFFAOYSA-N 388.340 -0.011 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)C[C@@H]2CCOC2)c1 264571699 VMBBLRNSPZVFPM-LLVKDONJSA-N 393.443 -0.171 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 274885783 JYLRYZFRIBONPW-UHFFFAOYSA-N 379.373 -0.688 5 20 GBBD CN(CC(=O)NCCc1nc(=O)o[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 280036858 FYXCCSWXNREXRL-UHFFFAOYSA-N 385.358 -0.750 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 298276185 AEYZOFHNLNCELU-UHFFFAOYSA-N 392.459 -0.073 5 20 GBBD CN(C)CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 298286330 DAVAJBPPZURRSS-CYBMUJFWSA-N 386.430 -0.666 5 20 GBBD COc1cc(CCNC(=O)Cn2ccc(=O)n(C)c2=O)c([N+](=O)[O-])cc1OC 298419241 LCUHVOKQVWRYQT-UHFFFAOYSA-N 392.368 -0.169 5 20 GBBD CCN1CCN(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C(=O)C1=O 298659479 HVLHXOJGRUORCC-UHFFFAOYSA-N 389.412 -0.066 5 20 GBBD O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(C(=O)Cn2cnnn2)CC1 298748180 SUTPJZORUJWGQZ-UHFFFAOYSA-N 388.388 -0.246 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 446327366 VIMMEZLTMDJCSV-KUDNYVPYSA-N 386.364 -0.320 5 20 GBBD CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)CC1 575400568 JWAXDIMQXRQNBA-UHFFFAOYSA-N 397.407 -0.046 5 20 GBBD O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 584043378 IAMAGSWEZFECJU-HNNXBMFYSA-N 389.412 -0.366 5 20 GBBD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 586831008 QUJAKPQQICHRSZ-KBPBESRZSA-N 391.428 -0.044 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]1CN(C)CCO1 589139360 VDJCDZHGYLTIMA-OCCSQVGLSA-N 394.432 -0.210 5 20 GBBD CCS(=O)(=O)NCCOC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 731719852 RHVFKAYGCPSKHM-UHFFFAOYSA-N 388.402 -0.124 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 737766102 SIVVGCVFTFOIPL-QMMMGPOBSA-N 383.394 -0.821 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 748117275 HBYRNUQKFPHAFI-WDEREUQCSA-N 386.386 -0.630 5 20 GBBD CS(=O)(=O)NCCOC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769672092 JJOZOFBDVBWIJF-UHFFFAOYSA-N 385.354 -0.046 5 20 GBBD O=C(O[C@H]1CCNC1=O)c1ccc(C(=O)O[C@H]2CCNC2=O)c([N+](=O)[O-])c1 785310473 KQAMKXKHULTDSG-RYUDHWBXSA-N 377.309 -0.315 5 20 GBBD O=C(O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 852958946 URRASSWFEUEHMB-XPUUQOCRSA-N 394.266 -0.691 5 20 GBBD CN1C(=O)CN(CC(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O 860551991 OWWMTNKUCOIUBJ-UHFFFAOYSA-N 379.329 -0.457 5 20 GBBD CN(CCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(=O)Cn1ncnn1 1579141420 ZAMRXWFJZBFPHW-UHFFFAOYSA-N 387.364 -0.644 5 20 GBBD CN(CC(=O)NC1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591037783 QBLGYRQNLQEWCZ-UHFFFAOYSA-N 381.374 -0.326 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)ccc1[N+](=O)[O-] 1607577342 UCHHYRWPMYWJRU-LBPRGKRZSA-N 378.341 -0.613 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2)C(O)O 1792793772 VULKRGOGKHMBSB-UJPVVMEISA-N 381.341 -0.899 5 20 GBBD Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)cn1 1794751085 VNPUXVDTRJDZFY-PTEHBNRSSA-N 389.372 -0.432 5 20 GBBD CC(=O)NCC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 263752977 SPCNJSFDULMCPT-UHFFFAOYSA-N 384.414 -0.217 5 20 GBBD CN1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 266140081 AODXPBGBYBMZOU-OAHLLOKOSA-N 398.441 -0.242 5 20 GBBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 271181436 YVGBCAOTHQHEEX-KBPBESRZSA-N 384.414 -0.098 5 20 GBBD C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 272853692 RBGOKYQNYOFCQQ-PVXIVEMSSA-N 399.425 -0.298 5 20 GBBD CNS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 298086944 JXYZDIDCFYYSRM-UHFFFAOYSA-N 399.429 -0.113 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCC(N)=O)CC1 299349916 QWQGNXNFHRICON-UHFFFAOYSA-N 384.414 -0.095 5 20 GBBD CC(=O)N1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 472502786 PVRGPJJXMLDDOS-LBPRGKRZSA-N 399.429 -0.207 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 481023105 WTSJIDZXLDQYEP-VIFPVBQESA-N 378.432 -0.253 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCCN1CC2 542738073 MFTWIRLYCOODIS-HNNXBMFYSA-N 382.442 -0.125 5 20 GBBD CN(CCN1CCNCC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 592468946 PQKBFGNUPZNQEI-UHFFFAOYSA-N 377.401 -0.316 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 600327798 VKIUWFYGFLHYSC-UHFFFAOYSA-N 385.402 -0.846 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 609916848 IZRMCUIAGMSMIT-UHFFFAOYSA-N 395.191 -0.681 5 20 GBBD Cn1cc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 611941175 DCIDTTPEBROEPY-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@H]2COCCO2)cc1[N+](=O)[O-] 837317564 LOSZCKOOHBJBLH-SNVBAGLBSA-N 389.386 -0.127 5 20 GBBD CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 919520013 WTNMRWSQIVCGAA-SNVBAGLBSA-N 383.361 -0.080 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1329729238 JTPIRFGJYVRIOB-LLVKDONJSA-N 396.425 -0.165 5 20 GBBD CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cc(C(=O)O)c2=O)C1 1591366105 KEFPKJAYVJYIRP-ZDUSSCGKSA-N 396.400 -0.072 5 20 GBBD O=C(COCCO)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1781318196 UJBWLLFODSPCKF-MRXNPFEDSA-N 382.373 -0.625 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477590 ZOKFKKVLVKRCTP-CYDGBPFRSA-N 390.400 -0.561 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 279040389 AANBNUCINRDRIX-DYZYQPBXSA-N 389.368 -0.086 5 20 GBBD C[C@H]1CCNC(=O)[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 282076181 LFBMRSLSKAMWQD-IINYFYTJSA-N 384.414 -0.144 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 484034316 BZAYSEYXOFIRJY-UHFFFAOYSA-N 399.411 -0.080 5 20 GBBD CNC(=O)c1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 501248418 NSQYATAABPPDMY-HUUCEWRRSA-N 398.441 -0.766 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 546084961 VGENPJSMYVYHGD-UHFFFAOYSA-N 376.373 -0.521 5 20 GBBD Cn1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 566912181 FLRVJPQDSVLMRN-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598597123 VWVZHRQBKVNEMO-NSHDSACASA-N 386.434 -0.261 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)n1 599246014 XYTULJUMWSRANN-JTQLQIEISA-N 394.413 -0.016 5 20 GBBD Cn1c(=O)c2nc(COC(=O)c3cc(O)cc([N+](=O)[O-])c3)[nH]c2n(C)c1=O 750814960 XOSQAEUHNZLIRV-UHFFFAOYSA-N 375.297 -0.069 5 20 GBBD C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 820778055 UUYXEDCUJYUCIP-SNVBAGLBSA-N 399.375 -0.501 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 920119378 LQJKADLWEWIGFE-UHFFFAOYSA-N 388.340 -0.098 5 20 GBBD CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1117551555 ATDLJODPACJHBS-AWEZNQCLSA-N 382.421 -0.620 5 20 GBBD CCNS(=O)(=O)CCNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 1328698829 FVKRGTFMUREUKQ-UHFFFAOYSA-N 386.430 -0.349 5 20 GBBD NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c([N+](=O)[O-])c3)[C@H]2C1 1790023756 OTZQFOPXGRSRCY-HUBLWGQQSA-N 378.385 -0.148 5 20 GBBD O=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C3)=NN1 1798373479 QFQCEZOEPGUWJH-AYMMMOKOSA-N 375.345 -0.554 5 20 GBBD NC(=O)c1ncccc1C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388444 IRFVTKQLWZBNRC-UHFFFAOYSA-N 399.367 -0.057 5 20 GBBD CCNC(=O)[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 66360362 KYIXUAYVOOCYCB-SNVBAGLBSA-N 387.418 -0.303 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269088800 GLDLDVVVBWGCRF-AWEZNQCLSA-N 379.421 -0.261 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 276509327 QZSHCENPSRCQGK-OCCSQVGLSA-N 385.398 -0.784 5 20 GBBD COC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O 276686513 CFQBRGHYNHYOJV-RNCFNFMXSA-N 389.386 -0.746 5 20 GBBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)NC[C@H]1CCS(=O)(=O)C1 436965014 JMTCGYJFFWQINT-VHSXEESVSA-N 385.398 -0.030 5 20 GBBD COCC(COC)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 455403782 ODNAPBVFZRHDIV-UHFFFAOYSA-N 390.418 -0.166 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C(=O)OC)C1 469327934 MKQAWEWFJNSQAX-LLVKDONJSA-N 388.354 -0.056 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 511353969 TZTPSYFXPGYFAM-UHFFFAOYSA-N 398.376 -0.142 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2cc[nH]n2)cc1[N+](=O)[O-] 513646941 CKHUUQXCQQFHCI-UHFFFAOYSA-N 381.370 -0.119 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 576588144 LHOUPKGCQBNEHO-SECBINFHSA-N 393.399 -0.395 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2COCCN2)c(C)c([N+](=O)[O-])c1 599900743 ZUUSWBJCFQPNTP-NSHDSACASA-N 380.357 -0.267 5 20 GBBD CCNS(=O)(=O)CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 731646650 OUJOZBOMRQCLSV-UHFFFAOYSA-N 387.418 -0.551 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 739698572 JUZNCOKRQHZNTM-NSHDSACASA-N 396.429 -0.024 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1=CN2CCS(=O)(=O)N=C2C=C1 761360727 QNFJEQNWQVJDNV-UHFFFAOYSA-N 394.365 -0.203 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 854590410 ULWAQKMFQPOKRR-LBPRGKRZSA-N 391.427 -0.102 5 20 GBBD CC(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832795919 HXMRUTDMZXFSNK-QGZVFWFLSA-N 395.416 -0.096 5 20 GBBD C[C@H](C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)n1ccnn1 1842000305 KWYFIAHNTXHWBC-GFCCVEGCSA-N 388.388 -0.153 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)C[C@H]2CCCO2)cc1 263657254 GLADBEOJADXBEY-GFCCVEGCSA-N 393.443 -0.029 5 20 GBBD COC(=O)C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 267858084 GNSYIUCQYRXNQR-JTQLQIEISA-N 391.336 -0.019 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)cc1[N+](=O)[O-] 272999989 XNRNDFMKUNOFRH-GFCCVEGCSA-N 380.357 -0.095 5 20 GBBD Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 275083291 JAIJRWDBJRBVFQ-LLVKDONJSA-N 378.384 -0.224 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCO1 369177587 SJTMTIFBNHTTRL-ZJUUUORDSA-N 382.398 -0.026 5 20 GBBD NC(=O)[C@@H]1CCCN(C(=O)CN2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 459496873 QKWCWYZBAMXAIT-CYBMUJFWSA-N 376.417 -0.164 5 20 GBBD CNC(=O)[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 460443438 AZGYJHDVWYUWQT-GFCCVEGCSA-N 388.402 -0.866 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 542068832 WQKBYRSWVFJAPE-UHFFFAOYSA-N 379.329 -0.400 5 20 GBBD COCCN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 590844492 LSPRUIMCNMHBRR-UHFFFAOYSA-N 375.359 -0.567 5 20 GBBD COC(=O)CCNC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 729948149 CYUALTZFOQNQAG-UHFFFAOYSA-N 395.324 -0.457 5 20 GBBD NC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)O 776445468 XFXQNNGECMQJGY-ZETCQYMHSA-N 396.175 -0.036 5 20 GBBD Cn1c(=O)c2c(ncn2CCOC(=O)c2cc([N+](=O)[O-])cnc2N)n(C)c1=O 779101531 NBOMSZSNTYLFFN-UHFFFAOYSA-N 389.328 -0.824 5 20 GBBD CN1CC[C@H](C(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 861407141 QMAFKKYFUBEYPT-NSHDSACASA-N 385.398 -0.027 5 20 GBBD CN(CC1(O)CCOCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591050871 SYLZSWHLNQHLBP-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1591051901 RKXXGWFVDREKBT-CABCVRRESA-N 388.388 -0.002 5 20 GBBD Cc1nc2ncn(Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])n2c(=O)c1CCO 1592405771 NYJBWPTXGCJDEX-UHFFFAOYSA-N 397.355 -0.129 5 20 GBBD O=C1COC[C@]2(CNc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)COCCN12 1593400059 ALSSMYFWMYNKQS-AWEZNQCLSA-N 376.333 -0.790 5 20 GBBD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)[nH]1 1793537209 LKRAZVXPAJJNCS-DDFAGTSDSA-N 389.372 -0.134 5 20 GBBD N=C1NCCN1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796024373 AWVIEYYJNLBCKI-JGPRNRPPSA-N 390.404 -0.590 5 20 GBBD CN(C)CC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824232 RAHULSPBVGACFP-UHFFFAOYSA-N 377.401 -0.479 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 267739889 VNMVSTVOGMVZHK-INIZCTEOSA-N 394.428 -0.134 5 20 GBBD NCC(F)(F)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 275133909 NHZQITQWKVVTMQ-UHFFFAOYSA-N 381.361 -0.246 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 372661525 OKIFGGGPTWFPMB-UHFFFAOYSA-N 387.356 -0.076 5 20 GBBD CNS(=O)(=O)c1ccc(N2CC[C@H](S(=O)(=O)NC)C2)c([N+](=O)[O-])c1 372739923 JUXHJLGFKOONEV-JTQLQIEISA-N 378.432 -0.369 5 20 GBBD CNC[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423599098 XDXOTHCHZZKRJP-ZDUSSCGKSA-N 376.417 -0.151 5 20 GBBD Cc1c(C(=O)NCC2(S(C)(=O)=O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 477251049 CPLZXABIWBEQOH-UHFFFAOYSA-N 391.427 -0.142 5 20 GBBD Cn1nnc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 490666284 BEMNFKRVZPYMAR-LBPRGKRZSA-N 395.401 -0.412 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N(C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 550464397 JUWPYBSVPHNXLO-CYBMUJFWSA-N 385.446 -0.241 5 20 GBBD COC(=O)c1cn(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)nn1 551679159 KUQVXWNQBADEBC-UHFFFAOYSA-N 386.328 -0.016 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 565672186 UOZFIALILQPVJT-QWRGUYRKSA-N 377.357 -0.688 5 20 GBBD CNS(=O)(=O)CCCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 600666590 YCLJSHAMFLLGCQ-UHFFFAOYSA-N 398.397 -0.083 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1C[C@@H](O)C[C@@H](O)C1 610669069 CFPKRFMSVAKZRT-OUAUKWLOSA-N 387.414 -0.007 5 20 GBBD O=C(CN1CCCC1)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 610864361 YJHBGQZMDFUJKB-UHFFFAOYSA-N 379.421 -0.259 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2CCCNC(=O)C2)c([N+](=O)[O-])c1 726787390 QJEGGHTYWMCNGW-UHFFFAOYSA-N 385.446 -0.239 5 20 GBBD CS(=O)(=O)Nc1ccc(C(=O)COC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 728330213 GTWMFAIERNFIMJ-UHFFFAOYSA-N 383.342 -0.016 5 20 GBBD O=C(NCCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1)c1ccc([N+](=O)[O-])cc1 732091119 RYSYBWZZUYZGMU-GFCCVEGCSA-N 375.345 -0.172 5 20 GBBD C[S@](=O)CCN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 853368958 DYSANIGSCLNRBK-QHCPKHFHSA-N 376.460 -0.257 5 20 GBBD O=C(C(=O)N1CCS(=O)(=O)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1344601402 UHXXMLKSPWPCQF-UHFFFAOYSA-N 396.425 -0.500 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 1346251767 JAUJACWOJURUOS-AWEZNQCLSA-N 379.417 -0.548 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2)c1ccc([N+](=O)[O-])[nH]1 1798745213 CJQPITPYUHWKKC-ICCCGROCSA-N 390.356 -0.131 5 20 GBBD O=C1CN(CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)C(=O)N1 1840965228 UTBHWUKHFLJGDW-UHFFFAOYSA-N 391.340 -0.443 5 20 GBBD COc1cc(C(=O)N2CCCC23CN(C(=O)C(O)O)C3)cc([N+](=O)[O-])c1OC 1845551131 UFNCPLIQISNQQZ-UHFFFAOYSA-N 395.368 -0.260 5 20 GBBD CC[C@@H](NC)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824219 QCUGVWNHORHPRG-CYBMUJFWSA-N 391.428 -0.042 5 20 GBBD C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C(N)=O 55138942 USKVUFSCHYVAHL-MNOVXSKESA-N 384.414 -0.015 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 278125664 MDMYARHMASZOHV-UHFFFAOYSA-N 396.429 -0.336 5 20 GBBD O=C(CN1CCOCC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 332565328 YXCIIOXVLUTINA-UHFFFAOYSA-N 376.369 -0.262 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 372041068 DJPQHOWGCPRWBC-SECBINFHSA-N 393.312 -0.563 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424252221 WDPSHZYKNUOOKU-LBPRGKRZSA-N 399.381 -0.657 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1cccc([N+](=O)[O-])c1 424513491 CYIXTSNDYRRZDF-SKDRFNHKSA-N 399.381 -0.518 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)[C@@H]1CCCO1 468661182 KCMUUROLVUWOAT-KGLIPLIRSA-N 387.414 -0.081 5 20 GBBD COC(=O)CNS(=O)(=O)c1cccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 481633699 YPNIOWPCDDZYHA-UHFFFAOYSA-N 397.369 -0.119 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 498777234 ZWMPFGRDBUVCFN-NEPJUHHUSA-N 382.421 -0.121 5 20 GBBD O=C(C(=O)N1CC[C@H](N2CCNCC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 564827396 LCYPOSNVOBDRCF-HNNXBMFYSA-N 387.440 -0.014 5 20 GBBD CCc1nn(C)c(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1[N+](=O)[O-] 573238873 ZZHJUIXDBPFHNN-UHFFFAOYSA-N 378.389 -0.312 5 20 GBBD Cc1[nH]c(=NC[C@@H]2CCCNC2=O)[nH]c(=NC[C@@H]2CCCNC2=O)c1[N+](=O)[O-] 591183101 KJNRMNYMFJIUFO-RYUDHWBXSA-N 391.432 -0.587 5 20 GBBD C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824450550 XTPQOVUGYSWZKE-ZETCQYMHSA-N 390.403 -0.514 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1CCN(CCc2cnn[nH]2)CC1 1577968090 RAAUUGSTORMQIN-UHFFFAOYSA-N 375.389 -0.302 5 20 GBBD NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780235155 QPDVEVTURRJMFH-KRWDZBQOSA-N 392.368 -0.274 5 20 GBBD CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476603 YPGMYJBATDHTRD-DCAQKATOSA-N 394.388 -0.953 5 20 GBBD CCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810376 NNMHAZISSPNHJQ-GVXVVHGQSA-N 381.389 -0.052 5 20 GBBD Cn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401489 IROPTIKHKIPRAM-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485242 ZIQQBFHZQGEDEV-SJKOYZFVSA-N 396.400 -0.147 5 20 GBBD CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11388670 VHGICFJWPQSCAW-QMMMGPOBSA-N 392.324 -0.032 5 20 GBBD COC(=O)CNC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 22345457 NAXWQMQSNKIBML-QMMMGPOBSA-N 393.308 -0.588 5 20 GBBD CN(CCN1CCOCC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 263906517 ZTPRZWKDMAIQPO-UHFFFAOYSA-N 376.369 -0.019 5 20 GBBD COc1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] 268228359 DYYNYTKMTWAPRU-UHFFFAOYSA-N 379.416 -0.083 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 411681901 WPTUOQGVRASNCT-ZDUSSCGKSA-N 380.357 -0.095 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)OC)cc([N+](=O)[O-])c1C 539372627 IBDVTVRURCONSV-NSHDSACASA-N 390.370 -0.108 5 20 GBBD C[C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1 542602337 ZAOLCFNMDQSMME-WDEREUQCSA-N 384.414 -0.096 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 576071948 OWJZDBRCQSDJLV-GFCCVEGCSA-N 388.450 -0.042 5 20 GBBD CN(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)O)S(C)(=O)=O 592135907 UTCSQSFPJXCJNT-UHFFFAOYSA-N 395.415 -0.147 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 592308909 OXFOAJLRDQHJBR-BXUZGUMPSA-N 386.430 -0.210 5 20 GBBD Cc1nn(CCC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c(C)c1[N+](=O)[O-] 610061154 VEQTWFODEJOJOO-GFCCVEGCSA-N 388.450 -0.170 5 20 GBBD Nc1ccccc1S(=O)(=O)NCC(=O)OCCn1cc([N+](=O)[O-])ccc1=O 800234422 FTSDOJXLZRBQMA-UHFFFAOYSA-N 396.381 -0.140 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1=O 1325953198 NELUFRPGJOTPSH-CYBMUJFWSA-N 390.352 -0.552 5 20 GBBD COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CCO1 1327789845 BAIAPCLYTFWFMR-CYBMUJFWSA-N 381.341 -0.380 5 20 GBBD Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 1343184947 OXMRJKBHLGEJGY-ZDUSSCGKSA-N 393.429 -0.042 5 20 GBBD CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H](CO)O1 1603787424 LRPOWIBINAVDGO-SECBINFHSA-N 398.401 -0.065 5 20 GBBD CC(C)(CNS(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-])NS(C)(=O)=O 1776294861 MDWZFIFZURGPNY-UHFFFAOYSA-N 395.415 -0.101 5 20 GBBD CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834986179 NCDXTDAHCUBACI-MRXNPFEDSA-N 397.388 -0.576 5 20 GBBD O=C1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CN1 1847318618 NEDKCQWTUBCGQW-UBHSHLNASA-N 390.400 -0.481 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 52615524 NTUZEOQEACRROZ-UHFFFAOYSA-N 383.430 -0.631 5 20 GBBD O=C1NC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CCN2C1=O 268553373 BTECBVLQDAZDCG-SECBINFHSA-N 388.789 -0.421 5 20 GBBD COC[C@@H](CO)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 280260455 NYELXKYKQPXYPB-SECBINFHSA-N 375.359 -0.163 5 20 GBBD CNC(=O)C(C)(C)CNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 288558068 QVIVYFCSGYLDAX-UHFFFAOYSA-N 376.373 -0.024 5 20 GBBD CC[C@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 292809486 IMNXUDGYELTMGU-AWEZNQCLSA-N 399.385 -0.375 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CN2CCOCC2)CC1 294941334 JRWXAIHAMODVEF-UHFFFAOYSA-N 392.412 -0.023 5 20 GBBD O=C1CN2C(=O)N(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2CN1 348609404 WJQQPYGKADFAEG-LLVKDONJSA-N 382.354 -0.869 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 428145178 KEWASZPYQDNCBS-UHFFFAOYSA-N 387.418 -0.598 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)CN1CCOCC1 443245409 GENMPQNUDRHPNM-OAHLLOKOSA-N 389.430 -0.035 5 20 GBBD COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 444439416 VEVLIRZQCRRQEH-UKRRQHHQSA-N 394.384 -0.081 5 20 GBBD COC[C@@H](CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC 510584071 ZWIVFHXQTUBYCP-GFCCVEGCSA-N 390.418 -0.166 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 592909014 ILPQWXVEKVEWSZ-ZYHUDNBSSA-N 386.382 -0.006 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 594876070 BYXHXQYUFSIVGD-GDLCADMTSA-N 375.385 -0.517 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(c3ccnc(O)c3[N+](=O)[O-])CC2)CC1 596074536 VGAXNDCGUFNEQC-UHFFFAOYSA-N 386.434 -0.690 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](O)[C@@H]1CCCO1 600239935 XLWAEFWJYBUXQJ-KBPBESRZSA-N 387.414 -0.081 5 20 GBBD Cc1cc(=O)c(C(=O)NN2CC(=O)N(C)C2=O)nn1-c1ccccc1[N+](=O)[O-] 770453228 ANWWZVFYWIAHMR-UHFFFAOYSA-N 386.324 -0.012 5 20 GBBD NC(=O)c1ccc(SCC(=O)NN2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 862739374 XITMSQODPSCWEE-UHFFFAOYSA-N 388.427 -0.453 5 20 GBBD O=C([C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCOCC1 1319368748 FRBPGDASAIVBOT-CYBMUJFWSA-N 378.385 -0.004 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCNC1=O 1325961381 YYORKEQKELRLTA-OAHLLOKOSA-N 389.412 -0.020 5 20 GBBD CCC(=O)NCC(=O)NCCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1590363922 RNERDDDEDRRIFH-UHFFFAOYSA-N 376.377 -0.147 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3-c3nn[nH]n3)CCN12 1593405283 OHISYZFNIKSVKE-VIFPVBQESA-N 394.373 -0.827 5 20 GBBD Cn1ccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383478 PVPLSOBSJHHFHJ-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1795529232 PYSPUQJCZMASPL-DPIQGUFMSA-N 380.376 -0.175 5 20 GBBD CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1830524709 FYDAMKOPVCAHRF-DYVFJYSZSA-N 396.400 -0.236 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCn1cncn1 263854873 SZRVERHRCMOJRK-UHFFFAOYSA-N 383.390 -0.536 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 274932829 PKWZLDWNEHIZJL-JTQLQIEISA-N 396.374 -0.305 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1C[C@H](C(=O)O)CC1=O 274932858 DMGMXLQXSFKGQU-SECBINFHSA-N 387.370 -0.185 5 20 GBBD O=C(NC1[C@@H]2CNC[C@@H]12)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 418682455 ZUWZISMTGIOTQD-ZIAGYGMSSA-N 395.441 -0.172 5 20 GBBD C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)NC[C@H]1CCS(=O)(=O)C1 436959878 FEZWZPKOZBCDHU-VHSXEESVSA-N 385.398 -0.030 5 20 GBBD CNc1nc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 454306507 CGGJLWDHJHSVGD-UHFFFAOYSA-N 392.416 -0.352 5 20 GBBD COc1cc(CCNC(=O)C(=O)NC[C@@H]2COCCO2)c([N+](=O)[O-])cc1OC 550247217 RNMNBUOXCBWLAC-GFCCVEGCSA-N 397.384 -0.198 5 20 GBBD Cn1cnn(CCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1=O 555313941 NKIGMDIDGVTHRS-UHFFFAOYSA-N 394.413 -0.074 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)OC 582796548 GCKPCKMXNQKSCV-ONGXEEELSA-N 388.354 -0.322 5 20 GBBD COC(=O)c1cn(C2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C2)nn1 598614624 QZJSUYRMLPYFAD-UHFFFAOYSA-N 390.360 -0.339 5 20 GBBD O=C1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)=NN1 731867152 XKCQSVAQAFZOIH-UHFFFAOYSA-N 381.370 -0.696 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 757336251 SHRXWZLNISJDTC-UHFFFAOYSA-N 375.359 -0.081 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 770773691 WJBGLFSNBSYEOW-UHFFFAOYSA-N 395.390 -0.036 5 20 GBBD Cn1ncc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 792278751 IRFOAIJPQFQCMM-UHFFFAOYSA-N 383.342 -0.572 5 20 GBBD COc1ccc(NC(=O)COC(=O)Cn2nc(C)n(C)c2=O)c([N+](=O)[O-])c1 848846323 RWSNYJSXQNWGPM-UHFFFAOYSA-N 379.329 -0.011 5 20 GBBD O=C(N[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1335343136 SHMPSSOSOJMJFT-GFCCVEGCSA-N 396.425 -0.453 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1ncc[nH]1 1794499089 QLLSIQRPLULIQL-GNXNZQSNSA-N 389.372 -0.582 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCC(=O)N1CCNC1=O 23225258 YAWCOYUJLXSFRH-UHFFFAOYSA-N 378.297 -0.585 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 284142594 WCXOUUUBHHEKCJ-UHFFFAOYSA-N 378.324 -0.713 5 20 GBBD CN[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 423402500 XTZLEVMQQRQZAQ-AWEZNQCLSA-N 389.412 -0.301 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H]1N 423754367 ZMYRIFPEPRVJQX-GXTWGEPZSA-N 389.412 -0.315 5 20 GBBD CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])nn1C)C(=O)NCCN1CCOCC1 481884739 XDBPWRDFYYUOPB-SWLSCSKDSA-N 396.448 -0.079 5 20 GBBD O=C(COC1CCNCC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 564905285 RHSOBBMIYALJHH-UHFFFAOYSA-N 386.430 -0.242 5 20 GBBD O=C(NCC(=O)N1CCNCC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 567667764 VCHCOYVJMNVKGJ-NSHDSACASA-N 379.373 -0.660 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 573183988 DXKMSBOKDIBNTN-KRWDZBQOSA-N 390.400 -0.638 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 576164788 INDSQJMRUCQEOF-UHFFFAOYSA-N 386.434 -0.623 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)c2cn(C)c(=O)n(C)c2=O)cc([N+](=O)[O-])c1C 735202891 HWBKXODSCJIWMX-UHFFFAOYSA-N 396.381 -0.272 5 20 GBBD Cn1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CC2)c1=O 745972308 MWKFTXCREYWCBI-UHFFFAOYSA-N 394.413 -0.338 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 826425714 PVYYUVZUPMGXQJ-GFCCVEGCSA-N 385.344 -0.034 5 20 GBBD O=C(O)CN(CCN1CCOCC1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 833248045 JIGONTKRNNATQY-UHFFFAOYSA-N 392.368 -0.133 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCCOCCS(C)(=O)=O 1117490616 MKLOVEKDJYBWOX-UHFFFAOYSA-N 387.414 -0.269 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 1329360030 OOJABKDLFJUEPZ-GFCCVEGCSA-N 386.368 -0.171 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1342637055 GIGBMJAYBWIESL-UHFFFAOYSA-N 399.425 -0.343 5 20 GBBD Cn1c(C[C@H](C[N+](=O)[O-])C2CCOCC2)nnc1N1CCS(=O)(=O)CC1 1349805911 PEHHOFKQFPXNLI-CYBMUJFWSA-N 387.462 -0.088 5 20 GBBD Cn1nncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780412571 DXKRGYXQBMETEK-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829481198 XRHOZQJOXUSYAA-KRWDZBQOSA-N 396.400 -0.181 5 20 GBBD CN(CC(N)=O)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 148443464 VJGCVJICWVKRBG-NSHDSACASA-N 384.414 -0.061 5 20 GBBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)NCCO 269544559 MORLLTKPPONNOU-ZDUSSCGKSA-N 398.441 -0.329 5 20 GBBD C[C@H](C[S@@](C)=O)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 273105143 BHTFXDHJQYSJPH-MXUQEVIESA-N 392.459 -0.073 5 20 GBBD COC[C@H](O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 275110307 WASCWBXFBROZNV-SECBINFHSA-N 375.359 -0.163 5 20 GBBD O=C1NCCN1CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 289090071 BMEUTADLJNBZFN-UHFFFAOYSA-N 383.430 -0.074 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCS(=O)(=O)N(C)C 289409020 ACISNQGHBRUVSI-UHFFFAOYSA-N 395.415 -0.449 5 20 GBBD CO[C@H](CN)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 289603583 NVTCTLLSROSDPY-CYBMUJFWSA-N 386.430 -0.290 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 291885008 QVJZZMVPDUTAPY-OLRMPSLUSA-N 387.414 -0.279 5 20 GBBD COCCCN(CCO)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297798970 JVUGXWGSGXMGRN-UHFFFAOYSA-N 395.416 -0.504 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 360672711 OWELCRAZPDPKSR-CYBMUJFWSA-N 387.418 -0.556 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 372731353 UUPSMXHMSTUDQU-LBPRGKRZSA-N 380.386 -0.061 5 20 GBBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC(=O)N1CCNCC1 549526311 CANLBIWESGLWNW-UHFFFAOYSA-N 391.384 -0.169 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CS(=O)(=O)CCO2)cc1 562990771 FROXFUUKZIMAIM-GFCCVEGCSA-N 378.428 -0.228 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H]1CN(C)CCO1 589139361 VDJCDZHGYLTIMA-TZMCWYRMSA-N 394.432 -0.210 5 20 GBBD NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 597574754 IHOMAPOELIWNDX-LLVKDONJSA-N 386.434 -0.130 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N1 599155452 APVINSJNVKYQCC-GXFFZTMASA-N 384.414 -0.096 5 20 GBBD CS(=O)(=O)CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 742274193 GHXSXOKCBULFRY-UHFFFAOYSA-N 378.432 -0.514 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1327033198 MWTUEVYZKKIFHY-LBPRGKRZSA-N 384.414 -0.297 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[C@@H]2C1 1328315693 NOCBEJGGLAUNRO-VXGBXAGGSA-N 396.425 -0.142 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799917367 RHNUCIXWZAHHSX-XXUMUBMXSA-N 392.416 -0.848 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 1821740404 FEORPFHEHWYPGN-SFYZADRCSA-N 393.429 -0.109 5 20 GBBD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839277147 YHCUIZRDJSEXJB-KRWDZBQOSA-N 396.375 -0.237 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273339531 KVAOZUVEZLUKEN-UHFFFAOYSA-N 380.386 -0.212 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 273506391 SZMSBNWYRSRNKM-VIFPVBQESA-N 378.432 -0.064 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 368983522 JPLSDHXPLJVXIK-TZMCWYRMSA-N 399.425 -0.412 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 370713077 DQRAPBYAADDPNJ-BONVTDFDSA-N 379.377 -0.189 5 20 GBBD CC(=O)N1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 472128612 RNLJTXASHFIDDY-LBPRGKRZSA-N 384.414 -0.048 5 20 GBBD O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCCS1(=O)=O 566795614 RSPMJLOLOQFMCE-UHFFFAOYSA-N 393.399 -0.393 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])C1 568007706 XRTQSUVFTYDYLR-VIFPVBQESA-N 393.399 -0.395 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H]1CO 590977913 NOGKDNHXDNOEEZ-OLZOCXBDSA-N 377.401 -0.275 5 20 GBBD COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 599463514 XCTFILGZIVWVCM-MRVPVSSYSA-N 376.343 -0.416 5 20 GBBD Cc1c(C(=O)NC[C@H](C)S(C)(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 611091072 PDPMSIFSCVDMAP-ZETCQYMHSA-N 379.416 -0.286 5 20 GBBD CCNC(=O)CN1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821285137 IHJWEQXALJECNC-UHFFFAOYSA-N 375.393 -0.182 5 20 GBBD Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1=O 826357292 ZFLFDOJVRIQEBC-UHFFFAOYSA-N 397.311 -0.266 5 20 GBBD COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 852963756 FTCYFFQZUFYNOF-QMMMGPOBSA-N 388.354 -0.167 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 856783509 XXGMHXZBQYAROD-MELADBBJSA-N 392.368 -0.204 5 20 GBBD CS(=O)(=O)NCCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 1322597161 QZQIRDMCABMKIS-UHFFFAOYSA-N 384.414 -0.249 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 1594960650 ASIMLNVRBSPOJW-ZDUSSCGKSA-N 383.382 -0.333 5 20 GBBD O=C(O)CS(=O)(=O)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1606296811 NHBMVRDUMZJQDT-UHFFFAOYSA-N 391.427 -0.087 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779865625 HQOBXFFVVAQJCA-OAHLLOKOSA-N 391.344 -0.682 5 20 GBBD C[C@H](CN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280837404 UNCMWYHZEMASMF-CYBMUJFWSA-N 399.473 -0.375 5 20 GBBD COCC1(O)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 295622103 VWQHXPIYCOLDIS-AWEZNQCLSA-N 399.425 -0.032 5 20 GBBD CC1(C)CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1 519595608 LAGMYVYAYYCPLU-UHFFFAOYSA-N 376.417 -0.151 5 20 GBBD CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 584172686 ARBJETFIIRJJCT-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD C[C@H](NC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CN(C)CCO1 588662860 ZNHPJUNFZXTLCL-HZMBPMFUSA-N 390.400 -0.077 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O 595275828 APTZPUTZJNPRHG-OLZOCXBDSA-N 375.385 -0.976 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)c([N+](=O)[O-])c1 596666809 OUVKCHXUPHNGLK-GFCCVEGCSA-N 396.425 -0.217 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883872 XAVHNAYSOHTMAR-LBPRGKRZSA-N 383.430 -0.267 5 20 GBBD CCOC[C@@H](O)CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 736608031 GKNBSYYQHYYJPL-LBPRGKRZSA-N 378.393 -0.311 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 826026979 GTCAIFDFCFPDEL-WMLDXEAASA-N 392.412 -0.323 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC[C@H]2CO)c1-c1nn[nH]n1 826500283 RUQIAEMMFVJYDC-MRVPVSSYSA-N 386.415 -0.127 5 20 GBBD O=C(O)c1cn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nn1 833339806 LDKKQDNAZYGBLE-UHFFFAOYSA-N 394.369 -0.069 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCO1 1255918383 DIORXNSAZWOWFJ-ZDUSSCGKSA-N 390.352 -0.165 5 20 GBBD CN1CCN(CCCCNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1321585079 VZVKBAVSGBLRQV-UHFFFAOYSA-N 381.437 -0.949 5 20 GBBD O=C(O)CN1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 1595087439 UWOFJIIZEVTBPG-ZDUSSCGKSA-N 391.384 -0.038 5 20 GBBD O=C(c1cn[nH]c1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380885 HSKZJSHJBSBQSR-HNNXBMFYSA-N 375.345 -0.202 5 20 GBBD O=C(C(O)O)N1CCC([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827644300 PSCZDAHWHURCCD-NSHDSACASA-N 381.389 -0.138 5 20 GBBD CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1839830808 JISYXSNIOAASPV-KRWDZBQOSA-N 394.384 -0.028 5 20 GBBD COC(=O)CNC(=O)[C@@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 21654845 PHINJHUZWLIMGQ-MRVPVSSYSA-N 393.308 -0.588 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)c1 266151650 JJTNDUJPHDLZEY-UHFFFAOYSA-N 390.399 -0.019 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 273214754 BFAIKJXZTYMEHI-CQSZACIVSA-N 399.473 -0.087 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)NCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 286131569 FTJWINNLROWJAW-UHFFFAOYSA-N 380.321 -0.781 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 291885003 QVJZZMVPDUTAPY-KQURDKLPSA-N 387.414 -0.279 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCN1 423395317 SOQNRSXBPWQLOF-CYBMUJFWSA-N 389.412 -0.301 5 20 GBBD CNC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 431265705 KQTUYYOFICDMCF-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD Cn1nncc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 466946263 HZNKUDACLABHGF-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593562332 FUHRAOQSQSMUIE-GXSJLCMTSA-N 378.432 -0.014 5 20 GBBD Cc1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1S(N)(=O)=O 599290841 DHZMGJQDYSCOEU-UHFFFAOYSA-N 389.415 -0.237 5 20 GBBD O=C(NC[C@@H]1COCCN1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 599962592 STEXANGVPVHNIQ-CYBMUJFWSA-N 377.401 -0.652 5 20 GBBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCCN1C(=O)CNC1=O 733420672 YPHPKKWMUNMZEF-UHFFFAOYSA-N 378.297 -0.012 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 748372838 VALJXCSCVQRMQP-UHFFFAOYSA-N 396.429 -0.623 5 20 GBBD CNS(=O)(=O)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(N)(=O)=O 750030188 PXCKDQAAKLNWCV-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD COCCSc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)CC(N)=O 766923347 CSUZGQFLYHOESK-UHFFFAOYSA-N 377.400 -0.122 5 20 GBBD COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 797301120 SZNYKHSSEIZCPO-ZETCQYMHSA-N 394.383 -0.381 5 20 GBBD Cc1nn(C)c2ncc(S(=O)(=O)NC(=O)Cn3ccc([N+](=O)[O-])n3)cc12 816200064 XHLQAYBOALZSOA-UHFFFAOYSA-N 379.358 -0.113 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 817871690 TVPJUBZTGCMDKZ-LLVKDONJSA-N 376.318 -0.177 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 821624049 YHLDRUPKAMUBCU-CYBMUJFWSA-N 387.404 -0.087 5 20 GBBD NC(=O)c1cnn(CCOC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 851494781 HSJCWYKQPJUATL-UHFFFAOYSA-N 389.324 -0.141 5 20 GBBD Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)c1[N+](=O)[O-] 1329389034 OACYLYWTTBHNRA-VXGBXAGGSA-N 377.405 -0.013 5 20 GBBD CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1346301203 AENIFKXLLFOGHF-VXGBXAGGSA-N 380.405 -0.329 5 20 GBBD C[C@@H](O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1589997303 WNJDBGVWHKVIJD-PSASIEDQSA-N 384.374 -0.455 5 20 GBBD CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590677527 KOTWIEIKMUQUMF-MRVPVSSYSA-N 383.390 -0.080 5 20 GBBD O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 1593336131 OBIXOLVXXAMGDB-BSTOTGJRSA-N 386.372 -0.610 5 20 GBBD Cn1cnc([N+](=O)[O-])c1CN1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1606263343 NFQMOLTYEDAJTR-UHFFFAOYSA-N 386.376 -0.302 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)C1=COCC1 1801544890 DMADASZXEQPYEG-ZSBIGDGJSA-N 377.357 -0.175 5 20 GBBD C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824965 AKRLZLATWWVFJZ-LBPRGKRZSA-N 391.384 -0.906 5 20 GBBD O=c1ccc([N+](=O)[O-])cn1CCN1CCN(S(=O)(=O)Cc2ccon2)CC1 269909100 QGQKDPXWPSZUMP-UHFFFAOYSA-N 397.413 -0.108 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)O 297348968 YZMHCCXYUUZNFD-SECBINFHSA-N 390.326 -0.324 5 20 GBBD C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 470485474 YKDNVPMMHOAZCL-WCQYABFASA-N 387.414 -0.129 5 20 GBBD CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCn1cc([N+](=O)[O-])cn1 492787336 DQGHRFVDJHIVQI-LLVKDONJSA-N 379.464 -0.032 5 20 GBBD COc1cc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 520415506 OIAVGWLJLRJZGQ-VIFPVBQESA-N 379.416 -0.084 5 20 GBBD COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 538681698 PTQONAWNBVIMAM-LBPRGKRZSA-N 382.373 -0.423 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 579853403 ODSLGLRSHUJBQD-ZIAGYGMSSA-N 375.385 -0.515 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC12COC2 597731730 WTRDARRZJMAIOX-YPMHNXCESA-N 397.409 -0.280 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[C@@H](O)C2)C1 599939239 UAWZTODHLLSREB-ZIAGYGMSSA-N 390.396 -0.012 5 20 GBBD CC(C)c1[nH]nc(C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] 600729960 BWECXOBPSXSHLO-SECBINFHSA-N 375.407 -0.169 5 20 GBBD COC(=O)CNC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769667106 AZIRMEBMGLWBAR-UHFFFAOYSA-N 393.308 -0.306 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1319522096 QGUOHOICNANYRD-UHFFFAOYSA-N 390.443 -0.268 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 1598501417 GNLVNZQEEXDFGJ-JSGCOSHPSA-N 379.369 -0.110 5 20 GBBD CC(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378002 ABAFVLVWXCEKRR-BBRMVZONSA-N 381.389 -0.222 5 20 GBBD COC(=O)[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 267657470 BAAVUIODQMYZRG-SNVBAGLBSA-N 388.354 -0.072 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(N)=O)cc1[N+](=O)[O-] 275160274 SZRKXTIWMUWWMZ-KCJUWKMLSA-N 387.370 -0.057 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 275799284 FZZNCHPMOUAKCZ-JSGCOSHPSA-N 388.398 -0.394 5 20 GBBD CS(=O)(=O)C1(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 280822914 RMSPXAVGPZKFQQ-UHFFFAOYSA-N 381.366 -0.116 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC(=O)N1 298236032 BTNUDEFULLTYJI-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD CO[C@H]1C[C@H]2C(=O)N(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C(=O)N2C1 349337321 YOTXHPXNMFNQSQ-AAEUAGOBSA-N 398.397 -0.075 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424512977 WIUMFIVJWCLXKA-GFCCVEGCSA-N 399.381 -0.737 5 20 GBBD C[C@](O)(CO)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 480820027 BEOZQJCTBPUAKL-CQSZACIVSA-N 375.403 -0.229 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 489155906 KUTFAGUPKGYMNA-UHFFFAOYSA-N 380.386 -0.258 5 20 GBBD CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 567829673 FFUKMJFRIYUSKD-ZDUSSCGKSA-N 385.446 -0.683 5 20 GBBD CC(=O)N1CCN(CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 577721909 XUTLDJWOYUMHJN-UHFFFAOYSA-N 399.429 -0.864 5 20 GBBD CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C[C@@H]21 578615330 BVONUXCCEUTKBA-HIFRSBDPSA-N 388.428 -0.199 5 20 GBBD O=C(O)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 609128324 KROMBIWZWTVPDG-UHFFFAOYSA-N 396.175 -0.164 5 20 GBBD Cc1ncc(S(N)(=O)=O)cc1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 815277059 SEKSGENNVPEGLI-UHFFFAOYSA-N 382.354 -0.036 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 824301437 ZGCDADPUQFXXSS-UHFFFAOYSA-N 388.388 -0.052 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)[C@@H]1C=CCN1 1787401472 WABVLUVYVSPUSK-CYDGBPFRSA-N 390.400 -0.561 5 20 GBBD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834971545 UEHSDWJVQOAAKB-HNNXBMFYSA-N 383.361 -0.966 5 20 GBBD CNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 23755277 NQEHLYCZRVHKTA-NSHDSACASA-N 399.429 -0.255 5 20 GBBD C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C 265345931 ZNISRVVKHUTFGO-JTQLQIEISA-N 387.418 -0.351 5 20 GBBD O=C1CN(CCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1 272959810 WRPOJQHKEHTFAG-UHFFFAOYSA-N 377.401 -0.407 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC(C(N)=O)=NO1 281375497 DZYVPCFRMUYVJF-MRVPVSSYSA-N 386.342 -0.710 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(n2cc(C(N)=O)nn2)C1 502011083 QEPQHDPWCFWPBU-UHFFFAOYSA-N 382.358 -0.461 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 569490867 DXJQBIZZGJCHRJ-VIFPVBQESA-N 396.381 -0.659 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] 580951576 CZTVPSPYZHKHSD-UHFFFAOYSA-N 376.366 -0.547 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCCNC(=O)C2)c([N+](=O)[O-])c1 726778460 FGSSASXXLOQAED-UHFFFAOYSA-N 385.402 -0.607 5 20 GBBD C[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 746596799 SHSGITLFTPFKMY-WDEREUQCSA-N 388.402 -0.241 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 768843469 LRUAABYUCDPSSC-UHFFFAOYSA-N 384.461 -0.749 5 20 GBBD O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 804586160 RVPNVBPJPWMSOW-STQMWFEESA-N 386.386 -0.217 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 1117564690 MZUUDBCNLDFMJF-GFCCVEGCSA-N 378.389 -0.479 5 20 GBBD Cn1ncc(C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])CC2)n1 1606272398 RUESIOXZZONPKD-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415575 ICJNKKBKTXWORP-MRXNPFEDSA-N 379.373 -0.545 5 20 GBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1835544776 WEKCQBMFWKXLDB-XKKXFUJGSA-N 394.384 -0.384 5 20 GBBD CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1)C(=O)C(=O)O 1840966875 BTUHUAODYBEARS-UHFFFAOYSA-N 394.340 -0.452 5 20 GBBD CN[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)O 1848162545 ZLNJIKSRXLCHED-AGIUHOORSA-N 394.388 -0.944 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1CNCC2 262765600 HFBHZSMYXUUNAX-UHFFFAOYSA-N 394.413 -0.328 5 20 GBBD CN(CC(=O)N[C@@H](CO)c1cnn(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 272308539 HWYMRDPSFSVYMQ-AWEZNQCLSA-N 397.413 -0.201 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CNc1ccccc1[N+](=O)[O-] 299294416 MGNRBVGJCRCBOW-NSHDSACASA-N 384.414 -0.232 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 360672712 OWELCRAZPDPKSR-ZDUSSCGKSA-N 387.418 -0.556 5 20 GBBD C[C@H](CN)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419956905 OSVAIXPAXOLREX-SNVBAGLBSA-N 383.430 -0.348 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCn2c(O)nnc2C1 438450925 PVIZLMJVNVOYSH-UHFFFAOYSA-N 396.385 -0.397 5 20 GBBD CNS(=O)(=O)c1ccc(NC[C@@](C)(O)CN2CCOCC2)c([N+](=O)[O-])c1 462873900 KDQHJTPMJRCZPJ-OAHLLOKOSA-N 388.446 -0.002 5 20 GBBD O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCn1cc([N+](=O)[O-])cn1 489953481 LQMJQQVIJFVCGC-CDGCEXEKSA-N 388.384 -0.102 5 20 GBBD COc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 508404566 YJPSAEVIWWEQPF-UONOGXRCSA-N 399.425 -0.481 5 20 GBBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCN(C)C 517245928 FZLSNPAQGYFVHU-VXGBXAGGSA-N 395.416 -0.025 5 20 GBBD C[C@](O)(CO)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 565077685 QKVMBUGMJQRJJO-DZGCQCFKSA-N 387.414 -0.393 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1[N+](=O)[O-] 859266616 HWRLRSVVRWCXIQ-UWVGGRQHSA-N 389.386 -0.006 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccnc(N2CCOCC2)n1 860589141 IDRTZOCPELTTGJ-UHFFFAOYSA-N 394.369 -0.265 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1117493705 PKHFDIJMWBCELU-HNNXBMFYSA-N 394.428 -0.595 5 20 GBBD Cc1cc(N2CCN3CCOC[C@@]3(CO)C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] 1592007265 LIIRFHWRVPAGQH-INIZCTEOSA-N 375.389 -0.033 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)OCc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1592869827 IJYWHUBJQGXJOL-UHFFFAOYSA-N 396.385 -0.452 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783480946 FBZHVPIKNLDAMB-BLLLJJGKSA-N 379.373 -0.060 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)c1ncon1 1789087767 SUBJLPWHRLFGMW-QXEWZRGKSA-N 391.344 -0.392 5 20 GBBD CC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847498111 MMJGUBOOULYVLD-OBJOEFQTSA-N 378.385 -0.271 5 20 GBBD COc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 31610834 FADMXCLXIPBUEV-LLVKDONJSA-N 385.398 -0.021 5 20 GBBD CCN1CCO[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 365728885 ZGQNURFTUYJJHN-CYBMUJFWSA-N 386.430 -0.290 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 481874366 LUDXSTMQQWKTHW-GFCCVEGCSA-N 380.405 -0.667 5 20 GBBD CNS(=O)(=O)[C@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 532736934 KMSXIFQTLFXRSF-QWHCGFSZSA-N 382.398 -0.150 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)NCCN1CCOCC1 553963880 GTEOZXUIZAAIHT-UHFFFAOYSA-N 386.430 -0.370 5 20 GBBD CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 589101689 IKJCMSGKSSDMGS-LBPRGKRZSA-N 388.446 -0.050 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N[C@H](CO)CCF)c([N+](=O)[O-])c1 593864878 UADHALMMUAWSKK-VIFPVBQESA-N 378.382 -0.119 5 20 GBBD CCn1cnnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825804485 BWTZXRWAJGGELB-UHFFFAOYSA-N 379.362 -0.135 5 20 GBBD CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826060947 XGTARZNCZVLTEX-SECBINFHSA-N 381.374 -0.326 5 20 GBBD O=C(CO[C@H]1CCCNC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 843405198 NPWLAKVHYDMECX-ZDUSSCGKSA-N 386.430 -0.242 5 20 GBBD C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1117605196 XAAKBIPLTJCIKC-CYBMUJFWSA-N 394.432 -0.381 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1323428192 PENFFYFZVHZFIS-CYBMUJFWSA-N 398.441 -0.206 5 20 GBBD O=C(CCOCc1cnn[nH]1)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1577885033 RGBHBIXQVWGFJL-ZIAGYGMSSA-N 378.389 -0.349 5 20 GBBD O=C(Cn1cnnn1)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1592942109 NJCNCVPMYRZTKM-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844296554 LUPJGWSGGAWKTP-OAHLLOKOSA-N 393.400 -0.610 5 20 GBBD CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]c1[N+](=O)[O-] 1847788710 URZIJPQYZOWOOE-UWVGGRQHSA-N 385.402 -0.432 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3C(N)=O)c([N+](=O)[O-])c2)CC1 67949009 WXWZZKOJDGBMDV-CQSZACIVSA-N 397.457 -0.015 5 20 GBBD O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 264233016 YEEIICZFQLQZJG-UKRRQHHQSA-N 398.441 -0.379 5 20 GBBD COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 264418381 VXTRNDVMTKTHOV-VIFPVBQESA-N 389.386 -0.123 5 20 GBBD CNC(=O)[C@@H]1CN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCO1 275488193 YFDMZXLVJDTQRX-NSHDSACASA-N 377.350 -0.122 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424370380 SWBIRPSTONBISW-NSHDSACASA-N 378.384 -0.224 5 20 GBBD O=C(O)[C@@H]1Cn2c(O)nnc2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 424393040 QQDKCYAHFGFSSX-NSHDSACASA-N 397.369 -0.267 5 20 GBBD COc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] 444826172 NJEYDFKVPOSCQY-OLZOCXBDSA-N 399.425 -0.481 5 20 GBBD COC(=O)COc1ccc(CN2CC(=O)NC[C@@H]2C(=O)OC)cc1[N+](=O)[O-] 448276665 ASIVAPSKSAZHPQ-GFCCVEGCSA-N 381.341 -0.380 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCn2cnnc2C1 471872478 PSCLYPLVHMLMOT-UHFFFAOYSA-N 380.386 -0.103 5 20 GBBD CNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 497746486 UHZNOZWCIGQHNL-UHFFFAOYSA-N 385.446 -0.287 5 20 GBBD C[C@@H]1C(=O)NCCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 518021914 AFWUBPGMPYTGEU-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 590992744 ZXNOMWCFSYDHQW-AWEZNQCLSA-N 377.401 -0.132 5 20 GBBD CO[C@](C)(CO)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 594381307 GYBNFQKHQCFTMT-AWEZNQCLSA-N 375.403 -0.223 5 20 GBBD COC(=O)[C@](C)(NC(=O)CN1C(=O)C(=O)N(C)C1=O)c1cccc([N+](=O)[O-])c1 600541368 SNPREYPYEODDRS-MRXNPFEDSA-N 392.324 -0.480 5 20 GBBD C[C@@H](NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 1322925076 BEHJRPRJXVCNLQ-IUODEOHRSA-N 380.401 -0.075 5 20 GBBD C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1800752788 QTJATEHTSKHXEQ-ADGXKJENSA-N 379.369 -0.116 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@@H]1[C@H]2COC[C@H]21 1801604196 SUIPSNCOIQIOOO-BISCAEAHSA-N 391.384 -0.587 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 278608814 AYURJODONWHITN-CQSZACIVSA-N 383.386 -0.319 5 20 GBBD NC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 423640263 GNFXFKINQIFFIJ-HNNXBMFYSA-N 389.412 -0.171 5 20 GBBD C[C@@H](O)CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 444383027 PXJJRHSWTQCAQP-GFCCVEGCSA-N 378.385 -0.155 5 20 GBBD CN(C)C(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 467939833 XURUIJVAEANFSJ-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CS(=O)(=O)CCO1 509600375 LOEXWCKEBPDKIC-ZDUSSCGKSA-N 385.398 -0.356 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 571647585 XONFNUJDESLIIL-GFCCVEGCSA-N 398.445 -0.145 5 20 GBBD CC[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 595278476 UFCLNGGGMLXVRI-KFWWJZLASA-N 389.412 -0.068 5 20 GBBD CCn1cc(CN=c2[nH]c(C)c([N+](=O)[O-])c(=NCc3cn(CC)nn3)[nH]2)nn1 596453867 PRNJPFLNEJTDTR-UHFFFAOYSA-N 387.408 -0.016 5 20 GBBD CCNC(=O)CN1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598895499 YHQYRIXPARGIKZ-UHFFFAOYSA-N 392.416 -0.003 5 20 GBBD CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 916769365 OAZZQTXGWCUMMK-UHFFFAOYSA-N 381.370 -0.068 5 20 GBBD C[C@H](NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 1326620706 WLKBBYLMTALIEO-JQWIXIFHSA-N 384.414 -0.078 5 20 GBBD O=C(c1cnc(O)[nH]1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779643616 AMOHVHYIRBDCSZ-OAHLLOKOSA-N 391.344 -0.496 5 20 GBBD CC(C)[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847632390 GPOZFOINXMXGAG-XEZPLFJOSA-N 392.412 -0.025 5 20 GBBD CC(C)(CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 66986886 ZGWDKNOYEBUDKX-UHFFFAOYSA-N 387.418 -0.316 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 67266946 ASPWZZFGIJVMDI-ZDUSSCGKSA-N 388.340 -0.321 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1NCCS(=O)(=O)NC[C@H]1CCCCO1 264720909 HTBABJXTFSPKRV-LLVKDONJSA-N 387.418 -0.011 5 20 GBBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 274674031 KMCJMUQOMNALHO-HOTGVXAUSA-N 397.453 -0.171 5 20 GBBD COC[C@]1(C)NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 277244790 HNOLLPVQTYQRPY-AWEZNQCLSA-N 386.386 -0.170 5 20 GBBD COC(=O)CNC(=O)c1ccc(NCCS(=O)(=O)N(C)C)c([N+](=O)[O-])c1 290596211 BPJOZFHXXHSGFT-UHFFFAOYSA-N 388.402 -0.199 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 415611759 XVZKDGYBTQRMLS-AWEZNQCLSA-N 375.385 -0.044 5 20 GBBD C[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 421975867 FCQIJPHKCXIDJC-SNVBAGLBSA-N 393.443 -0.235 5 20 GBBD CCOC(=O)CNC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 434951935 UMJROGXHWLUFOB-UHFFFAOYSA-N 379.373 -0.016 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 498674411 UOPOLRJLXFOWPL-JTQLQIEISA-N 380.357 -0.407 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c([N+](=O)[O-])n1 511416718 WHBVJNBOHSTCDM-JTQLQIEISA-N 395.463 -0.096 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)C1 574753350 RODAMSNXBRJEJR-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@H](C(=O)NCCN)C2)ccc1[N+](=O)[O-] 577176276 JVUFMHAVSZZPGY-AWEZNQCLSA-N 391.428 -0.053 5 20 GBBD CO[C@@](C)(CO)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 594380812 ADNKXBRFQLCVLY-CQSZACIVSA-N 375.403 -0.223 5 20 GBBD CNC(=O)CN1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598901135 ONCZEKJTKRPYGQ-UHFFFAOYSA-N 378.389 -0.394 5 20 GBBD COc1cc(OCC(=O)N2CCC(NS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 600548633 OOYOMBLHHJMTDO-UHFFFAOYSA-N 388.402 -0.234 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 614817661 UYNPARAHEMQKCP-SECBINFHSA-N 378.432 -0.240 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 782945457 MFWHTKPSSISYOQ-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD COC(=O)[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(-c2nn[nH]n2)c1 821648934 XPPUYVJQJURLHP-NSHDSACASA-N 388.300 -0.176 5 20 GBBD CS(=O)(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591677241 HDRVMPQORHIOGB-LBPRGKRZSA-N 397.417 -0.475 5 20 GBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@]2(C(=O)O)CC[C@]2(C(=O)O)C1 1777568087 SXKXORGHQYSLKC-OKILXGFUSA-N 385.354 -0.002 5 20 GBBD NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780235156 QPDVEVTURRJMFH-QGZVFWFLSA-N 392.368 -0.274 5 20 GBBD CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419360 LFDMGMBDLRFPFO-KRWDZBQOSA-N 393.400 -0.107 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)C(=O)C1CC1 1784006082 ZGSVQGKTOLQYIW-GVXVVHGQSA-N 391.384 -0.110 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@@H]1C=CCN1 1796312279 UFDBRKVFRLQEHN-NOHGZBONSA-N 376.373 -0.951 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)[C@@H]1CCOC1 1801509675 MLGNEEURWSXDQW-NFFDBFGFSA-N 393.400 -0.583 5 20 GBBD C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485241 ZIQQBFHZQGEDEV-SJCJKPOMSA-N 396.400 -0.147 5 20 GBBD O=C(CCn1cncn1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848163683 UFBIYLNTJRLFIU-KBPBESRZSA-N 388.388 -0.325 5 20 GBBD O=C([C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCOCC1 66480659 IILVWWYMBNGCOP-AWEZNQCLSA-N 378.385 -0.004 5 20 GBBD CN1CC[C@@H](N(C)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 265687564 WZCOUKPQGSKDCX-CYBMUJFWSA-N 384.414 -0.096 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 273687268 LHIMNSYHWKUQQV-UHFFFAOYSA-N 392.459 -0.669 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCS(N)(=O)=O 292829526 ORGBHOQJCNGYKF-UHFFFAOYSA-N 395.415 -0.272 5 20 GBBD COc1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])cc1F 294428653 BTQNKTQYTKILOI-UHFFFAOYSA-N 393.335 -0.286 5 20 GBBD Cc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 299693074 VEDACTQXOWIGQJ-CABCVRRESA-N 383.426 -0.181 5 20 GBBD CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)NCCN)C2)cc([N+](=O)[O-])c1 429014666 YUVAJIGMIWIRHZ-LLVKDONJSA-N 398.441 -0.075 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[S@](=O)C1 474948708 BWUKICHPADZFCM-VCGICTTQSA-N 375.428 -0.100 5 20 GBBD COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 508269514 IULSYNPYSFENTH-ZDUSSCGKSA-N 376.373 -0.324 5 20 GBBD NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 540480250 KZZSLHZKKNSQSZ-SECBINFHSA-N 389.411 -0.043 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)S(N)(=O)=O 541029515 INLYPHSSQKDUSH-NSHDSACASA-N 399.429 -0.963 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cnc1C 590547033 VOQWEVUGDWRJHN-CYBMUJFWSA-N 380.357 -0.181 5 20 GBBD CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593562533 FUHRAOQSQSMUIE-KOLCDFICSA-N 378.432 -0.014 5 20 GBBD CNc1nccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1[N+](=O)[O-] 594306415 QBXYCYZNFLPQTD-ABKXIKBNSA-N 376.373 0.482 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 594822154 KWPKGTVQAIXTTE-WCBMZHEXSA-N 380.400 -0.306 5 20 GBBD COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 600013076 VBZCSTFAFHLLLI-VHSXEESVSA-N 385.402 -0.239 5 20 GBBD Nc1cc(Cl)c(S(=O)(=O)NC(=O)CN2CCOCC2)cc1[N+](=O)[O-] 778649321 AZTFYUHEPLAIHC-UHFFFAOYSA-N 378.794 -0.033 5 20 GBBD CN[C@@H](C)CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1325746271 QAWNAFACKARICK-ZDUSSCGKSA-N 391.428 -0.007 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(N2CCCCC2=O)CC1 1329708757 BSPSRBUZWZTEPD-UHFFFAOYSA-N 392.416 -0.089 5 20 GBBD O=C(NCCNC(=O)C1CC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1341087179 MACPMHCLQCEMLE-UHFFFAOYSA-N 378.389 -0.403 5 20 GBBD CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795549349 OYTOBPCQPOIKID-NAWOPXAZSA-N 394.432 -0.106 5 20 GBBD Cn1cncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401446 BUZOENPQOKRCQK-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835528714 IAUNCPUQSGUMBT-YVEFUNNKSA-N 395.416 -0.412 5 20 GBBD O=C1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CN1 1848163797 CPDCUZQZDRUIII-DRZSPHRISA-N 376.373 -0.871 5 20 GBBD CN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 267788195 ZBJUIZBFQCNCJR-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD CNC(=O)CCN(C)C(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 284214645 GBNLNYQMBATJAL-UHFFFAOYSA-N 396.400 -0.135 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 378178064 ZASPIUKJNMQSIF-LBPRGKRZSA-N 382.398 -0.512 5 20 GBBD O=C(CN1CCc2ccc([N+](=O)[O-])cc21)NC(=O)N[C@H]1CCS(=O)(=O)C1 411535668 PZUQBYHKXWZSKS-NSHDSACASA-N 382.398 -0.030 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1=O 416548904 OUPYLWHBAXZNHT-UHFFFAOYSA-N 376.778 -0.434 5 20 GBBD CNS(=O)(=O)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 440146024 NAKGUBDNRDVDML-UHFFFAOYSA-N 378.794 -0.357 5 20 GBBD CO[C@@H]1COC[C@@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 458333148 AVLHICJWOCBJJI-WCQYABFASA-N 388.402 -0.426 5 20 GBBD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCCn1cc([N+](=O)[O-])cn1 492787340 DQGHRFVDJHIVQI-NSHDSACASA-N 379.464 -0.032 5 20 GBBD COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 600023114 IBNZCCXOLNMPPL-KOLCDFICSA-N 385.402 -0.239 5 20 GBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O 611661225 OHQFNZYWTPXUPN-UVLXDEKHSA-N 399.425 -0.442 5 20 GBBD NC(=O)[C@H](O)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 618923606 IZKNGTAWXSFGEN-MRVPVSSYSA-N 379.110 -0.225 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(CC(N)=O)CC1 735841983 CIUHCMRSAKNHGQ-LBPRGKRZSA-N 381.437 -0.107 5 20 GBBD CNS(=O)(=O)CCCOC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 777043083 GEIVNIUVKBUTBY-UHFFFAOYSA-N 389.386 -0.184 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)[C@@H]2CCN(C)S2(=O)=O)cccc1[N+](=O)[O-] 842822061 IGEGKGDBNPHOHC-LBPRGKRZSA-N 391.427 -0.117 5 20 GBBD Cn1cc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 845104090 DEXCHFSPFSYXGA-UHFFFAOYSA-N 397.369 -0.182 5 20 GBBD Cc1nc2c(n1CCO)CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 1342866789 WZLWPMSCPANPOF-GFCCVEGCSA-N 375.385 -0.073 5 20 GBBD CC1([C@@H]2CCCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)OCCO1 1343186687 VXLXDWXMETULGG-GFCCVEGCSA-N 381.389 -0.091 5 20 GBBD CC1(C)OC[C@@H](CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 1346788911 WLHXWSBNYIKLNR-CYBMUJFWSA-N 393.400 -0.094 5 20 GBBD COC1(CO)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 1591344109 NZLHNEQIIZLBGZ-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD Cn1ncnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382187 CHKJTTDNHZDVLH-HNNXBMFYSA-N 390.360 -0.796 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783173636 GGGHLDHANJJJEO-HWPZZCPQSA-N 394.388 -0.714 5 20 GBBD CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]c4[N+](=O)[O-])[C@H]3C2)COC1 1787476898 JUIKDCYNQCLOIV-SRVKXCTJSA-N 393.400 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1ccon1 1794924110 XHIKGGNRWDTYIQ-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD Cn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010905 KTMDPHFHMVCOSW-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD NC(=O)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 16222993 UQEOVEXQUMYXKG-UHFFFAOYSA-N 388.358 -0.811 5 20 GBBD CN(C)S(=O)(=O)N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 27433681 MERSGIVTWREHSA-UHFFFAOYSA-N 397.457 -0.092 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 69411200 AQEINYGAFRWPGX-SNVBAGLBSA-N 391.427 -0.576 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C[C@H]1CO 274932677 LTKDTVGNGCXCFE-QWRGUYRKSA-N 388.402 -0.990 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 275170851 VKGJVBDOILWZKO-SNVBAGLBSA-N 378.384 -0.143 5 20 GBBD COC(=O)c1cnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)c([N+](=O)[O-])c1 276556583 LDNMWXNLJMHJER-UHFFFAOYSA-N 379.373 -0.050 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 291508072 IJBXFPFEYHPYEL-UHFFFAOYSA-N 388.402 -0.659 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(S(N)(=O)=O)CC1 298068899 MSBCUCYFFPMOKW-UHFFFAOYSA-N 387.418 -0.247 5 20 GBBD CN1CCNC[C@H]1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 418757607 HSSWHIUBSQFOSE-INIZCTEOSA-N 390.444 -0.034 5 20 GBBD Cn1cc(OCC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 500841791 NTANXKMFNMDHNV-UHFFFAOYSA-N 383.386 -0.198 5 20 GBBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CN(C)NC2=O)ccc1[N+](=O)[O-] 539782051 LESBXPZDIOZVMV-GXTWGEPZSA-N 375.385 -0.031 5 20 GBBD CN1C(=O)C[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 568762720 HLHHOQYTCYEDQL-NSHDSACASA-N 384.370 -0.863 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 592909000 ILPQWXVEKVEWSZ-CMPLNLGQSA-N 386.382 -0.006 5 20 GBBD O=C(NCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1cccc([N+](=O)[O-])c1 598899375 BOMUDLYRLDOMSH-NSHDSACASA-N 376.329 -0.521 5 20 GBBD Cn1nccc1S(=O)(=O)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 765659329 YOPNPJGHCLMUSY-UHFFFAOYSA-N 381.370 -0.047 5 20 GBBD Cn1ncc(C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 793126142 RBOOGCIKPUWSEF-UHFFFAOYSA-N 397.369 -0.037 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1345843897 AVNMYTKUCNXTBX-TZMCWYRMSA-N 379.369 -0.364 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CCS(=O)(=O)C[C@@H]1CCO 1593468065 YOWKWODZCRDGTO-LBPRGKRZSA-N 382.402 -0.244 5 20 GBBD CC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784248 QHTWSGNWAVVDMU-KRWDZBQOSA-N 392.368 -0.825 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1795976705 CGYBXGLLSPYXJF-USZNOCQGSA-N 392.416 -0.233 5 20 GBBD O=C(CN1CCOCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848162363 UZBUUYYVBXCGQQ-GJZGRUSLSA-N 392.416 -0.675 5 20 GBBD NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9557437 IHOPYMJCJUSJDK-UHFFFAOYSA-N 386.386 -0.498 5 20 GBBD COC(=O)CCCNC(=S)NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 18138321 LJPWTAZHWIJPIJ-UHFFFAOYSA-N 391.431 -0.014 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 45521163 CJSWPWQDEKTZBW-SNVBAGLBSA-N 387.370 -0.344 5 20 GBBD NC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 266736214 OVZFEMBOYQTOPX-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD COCCN1C[C@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 273247006 GFSQLNFTJLZDCU-GFCCVEGCSA-N 399.425 -0.020 5 20 GBBD COCC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 288488203 VTZCHNJCOMKLRJ-LBPRGKRZSA-N 386.386 -0.170 5 20 GBBD CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 292859236 WHGQPDBZGPSOMH-CYBMUJFWSA-N 399.429 -0.190 5 20 GBBD C[C@H](Cn1cncn1)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299270778 YODNLGCLPCYQKU-SNVBAGLBSA-N 397.417 -0.159 5 20 GBBD Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)ccc1[N+](=O)[O-] 299729891 WOKINLTZUACNAK-UHFFFAOYSA-N 387.418 -0.210 5 20 GBBD CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(=O)N1CCNCC1 430627819 NTLAQQDBOGDBMP-UHFFFAOYSA-N 379.373 -0.374 5 20 GBBD Cc1[nH]c(=NC[C@@H]2CCCC(=O)N2)[nH]c(=NC[C@@H]2CCCC(=O)N2)c1[N+](=O)[O-] 432926325 FJMVPUNBXGJIRZ-RYUDHWBXSA-N 391.432 -0.302 5 20 GBBD NC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 482212506 PHVVGWQTTDUFNH-ZJUUUORDSA-N 382.398 -0.026 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(Cc3ccco3)CC2)c1=O 501972315 FJXGQGCFNPZGKG-UHFFFAOYSA-N 389.368 -0.207 5 20 GBBD CN(C)CCN(CC(=O)O)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 532872156 PNKVMYTVLSMTDV-UHFFFAOYSA-N 381.389 -0.131 5 20 GBBD COc1cc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)ccc1[N+](=O)[O-] 568510101 BFQQPALNYJMASB-UHFFFAOYSA-N 384.414 -0.337 5 20 GBBD Cc1ccc([C@H](C)NC(=O)C(=O)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] 570667443 QVUDQZFJAAJSJD-LBPRGKRZSA-N 377.401 -0.372 5 20 GBBD Cn1cnc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 590470728 NXURGPCBRGZFSO-ONGXEEELSA-N 396.385 -0.514 5 20 GBBD O=C(C1=NN2CCCN=C2N1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 591613629 ITOYJSBYTMOHBQ-UHFFFAOYSA-N 385.384 -0.142 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 598977526 JTVKPIKCOFNDQK-UHFFFAOYSA-N 398.441 -0.156 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(CCO)CCOCCO 600126482 WJBJVLVLUUHKFX-UHFFFAOYSA-N 381.341 -0.979 5 20 GBBD NS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 609881504 UGVRZTMTYLTBRI-GFCCVEGCSA-N 398.445 -0.082 5 20 GBBD Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 822631946 MOOINTBGAPGTJQ-GXTWGEPZSA-N 387.356 -0.062 5 20 GBBD C[C@H](N)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1589912575 KDMMLNHWPJUANC-WCBMZHEXSA-N 383.390 -0.488 5 20 GBBD CC1(C)C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1603754640 DMMIDZQJQZHCMV-UHFFFAOYSA-N 381.374 -0.326 5 20 GBBD CO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1791316262 ARTOWKCWLUPFPA-RHYQMDGZSA-N 381.389 -0.054 5 20 GBBD COC(=O)C1(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 270844980 ISFHKVJPSANQQC-UHFFFAOYSA-N 386.386 -0.134 5 20 GBBD CC(C)NS(=O)(=O)NCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 277237044 UINXTEOIYNIRAD-UHFFFAOYSA-N 394.475 -0.111 5 20 GBBD C[C@@H]1CC(=O)N[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 293656872 SVUNDHDWRROWHB-GWCFXTLKSA-N 384.414 -0.096 5 20 GBBD NC(=O)[C@H]1CN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 298251688 LJFYLXHRKRBMEO-CQSZACIVSA-N 376.369 -0.202 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cccc1[N+](=O)[O-] 424499165 KKGUMFDXBDIZFK-GFCCVEGCSA-N 399.381 -0.770 5 20 GBBD O=C(N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1(O)CCOCC1 475308504 PVWFNPSTUDFWFY-UHFFFAOYSA-N 399.425 -0.031 5 20 GBBD NS(=O)(=O)N1CCc2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc21 499979220 CLYAMWJJWNJSNM-UHFFFAOYSA-N 393.381 -0.039 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O 517395915 VHFQTBRDLOHHGM-QJPTWQEYSA-N 391.384 -0.437 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 521372218 BIRRSKAYQGISEP-ZDUSSCGKSA-N 394.384 -0.165 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 591582359 ANGZKKWTPGCAFQ-JSGCOSHPSA-N 392.416 -0.787 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)n1 600660386 UJONCJGOGGCWFW-MRVPVSSYSA-N 385.362 -0.356 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCCS(=O)(=O)CC2)cc1[N+](=O)[O-] 610011155 PPHZBSVTAVXTNU-UHFFFAOYSA-N 385.398 -0.020 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 610590014 PWILOVDSMVEIQR-LKFCYVNXSA-N 383.386 -0.011 5 20 GBBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NS(=O)(=O)CC(N)=O)ccc1[N+](=O)[O-] 766922294 KLTJOWJRCKDJFW-GFCCVEGCSA-N 398.397 -0.561 5 20 GBBD CCNS(=O)(=O)CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 836292068 DNXNUAOMAPRPNR-UHFFFAOYSA-N 386.434 -0.239 5 20 GBBD CCn1ncc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 858660614 DBBKRRAMSNBUML-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD COC(=O)[C@@](C)(NS(=O)(=O)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 859369882 LHXHCNOMVRHJKV-ZDUSSCGKSA-N 394.427 -0.053 5 20 GBBD CN(C)C(=O)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1591001587 JYWLYRIJDAURPE-VIFPVBQESA-N 395.401 -0.126 5 20 GBBD CO[C@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCOC1 1591342186 JICUBOCHAHAKRB-ZDUSSCGKSA-N 384.374 -0.141 5 20 GBBD O=C(CN1CSCC1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57404990 ZQPSVINQUBESCB-UHFFFAOYSA-N 388.427 -0.478 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 263822076 UXZULKFIABYXQG-UHFFFAOYSA-N 396.448 -0.295 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 266078133 UESRHOCLIHBGII-CABCVRRESA-N 383.426 -0.249 5 20 GBBD COCCNC(=O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)OC 267033946 BMESCHDJRYGLLW-UHFFFAOYSA-N 376.391 -0.049 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 268470501 XVRBCYFUOPOAKW-MQYQWHSLSA-N 382.373 -0.679 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1O 274660162 DKUQXKYFKQPFPU-GFCCVEGCSA-N 378.385 -0.037 5 20 GBBD CC(C)NS(=O)(=O)NCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 277420321 DJCMWHLOLZDYPK-UHFFFAOYSA-N 388.402 -0.265 5 20 GBBD C[C@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC(=O)N1 295721704 LCOCSIOWZIEYOH-LBPRGKRZSA-N 397.457 -0.144 5 20 GBBD O=C(CN1CCc2c1cccc2[N+](=O)[O-])NC(=O)N[C@H]1CCS(=O)(=O)C1 299728627 VVKGNSLGDYXDDG-JTQLQIEISA-N 382.398 -0.030 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 495624082 KWVBKEIJXSPATK-UHFFFAOYSA-N 384.414 -0.498 5 20 GBBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 499583331 CPAKCSBHWIJXLE-UHFFFAOYSA-N 391.384 -0.680 5 20 GBBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1CCN(C2CC2)C(=O)C1 502811431 PIILTLDMUPQKNN-UHFFFAOYSA-N 386.368 -0.080 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 518941274 OFSWHTXEPVWOHO-ZDUSSCGKSA-N 380.405 -0.817 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)CNS(=O)(=O)c1cnn(C)c1 543391613 XKHFRQJNKSENKI-UHFFFAOYSA-N 383.386 -0.068 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCN1CCOCC1=O 785311571 ZIGRTLAUZQIQJM-UHFFFAOYSA-N 379.325 -0.278 5 20 GBBD COC(=O)N(C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 850675331 ZKXXPUVFGYHGRS-UHFFFAOYSA-N 394.388 -0.547 5 20 GBBD COC[C@H](CS(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)OC 853207140 ZEJSVHPBNCAJEV-GFCCVEGCSA-N 389.386 -0.568 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)nn1 284555673 FIBAYSVQJVUKPR-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD COCC1(O)CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 295010226 PCZYKPHRIAGZCR-UHFFFAOYSA-N 387.414 -0.187 5 20 GBBD CCC[C@H](O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 412507402 DNRLYCMNXBJBJG-KGLIPLIRSA-N 389.430 -0.099 5 20 GBBD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 487369103 UVFABIIHOSAXFN-RKDXNWHRSA-N 391.406 -0.454 5 20 GBBD O=C(O)[C@H]1C[S@](=O)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 548258304 XYLCLSGAKYTPQJ-SFDCACGMSA-N 376.412 -0.015 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 597636992 AMDHRQUXGRRDMM-SNVBAGLBSA-N 397.388 -0.038 5 20 GBBD O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN(C(=O)Cn2cnnn2)CC1 608962000 SSGZLUJSEKZIMN-UHFFFAOYSA-N 389.372 -0.279 5 20 GBBD O=C(CN1CC[C@H](CO)[C@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 808749653 ADACFXHSDGJFRL-RHSMWYFYSA-N 378.429 -0.082 5 20 GBBD CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 821631333 GDCWKHNQHBRHOA-SECBINFHSA-N 395.401 -0.078 5 20 GBBD CNC(=O)c1ccc(CN(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 1323616375 OOSXXGQJIRGVKB-UHFFFAOYSA-N 388.384 -0.074 5 20 GBBD CN(C)CCCOC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1323666559 FGVIGAKUSYKJEV-UHFFFAOYSA-N 396.448 -0.133 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 1346361433 IVQZZBQCMZRODI-FZMZJTMJSA-N 395.368 -0.121 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1800400714 QWSBUUNCXRBQAU-QHBPRCKVSA-N 397.359 -0.823 5 20 GBBD Cc1nnc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)o1 1848161736 DOQRPTWQSQMZQB-STQMWFEESA-N 389.372 -0.073 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)OC)[C@@H](C)O)cc1[N+](=O)[O-] 275707979 GOSRBLUAUDPDRJ-RDDDGLTNSA-N 391.358 -0.026 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 364725621 VCJFKBHZTRBUBJ-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD O=C(CC(=O)NCC1CC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 427859906 PJHTWMJBMDRWOC-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD CN(CC(=O)O)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1O 435712197 YNXTYKURABECRY-LSDHHAIUSA-N 389.368 -0.018 5 20 GBBD CS(=O)(=O)Cc1nc(=NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o[nH]1 540460819 GASSXMZQDVGUBV-UHFFFAOYSA-N 398.353 -0.103 5 20 GBBD CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-] 580197850 ITWLSESUWQTNKL-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 600017308 VLBYMVIMENEDJP-GFCCVEGCSA-N 379.373 -0.002 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)nc2)n1 600665427 OKMNGQJRIQWMSZ-UHFFFAOYSA-N 381.374 -0.540 5 20 GBBD Cn1c(=O)c2cc(C(=O)OCCn3ccc([N+](=O)[O-])n3)n(C)c2n(C)c1=O 748123595 PVHBIPVRPLARGW-UHFFFAOYSA-N 376.329 -0.463 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)CCO1 782090672 ZZBGPTSYPJVIJX-AWEZNQCLSA-N 381.341 -0.232 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 813946937 SJGSVZJMBLUMHX-UHFFFAOYSA-N 384.414 -0.029 5 20 GBBD CCOC(=O)CS(=O)(=O)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 838850219 JEXVCJKIZRAJDC-UHFFFAOYSA-N 376.343 -0.009 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843357424 CSAYQXXDFVPCSE-UHFFFAOYSA-N 389.328 -0.350 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCCN1C(=O)CNC1=O 264487151 RPBPJVVOEGYDDT-UHFFFAOYSA-N 377.357 -0.227 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 264648739 IDNIQXWFUAKEDL-NSHDSACASA-N 375.407 -0.604 5 20 GBBD CC(C)NC(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 269056366 RZSSMDSUQKTSKA-GFCCVEGCSA-N 375.385 -0.120 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 273706529 OYHIFJBQWLDUQT-LLVKDONJSA-N 392.459 -0.070 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 291605989 SGBVJMBZPKRKFY-UHFFFAOYSA-N 379.416 -0.381 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 297998297 YPTUDVNELHDWJF-SFHVURJKSA-N 389.412 -0.033 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 524686547 SQEGKFCNMPWMFD-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD CN(CC(=O)NCc1cncnc1N)S(=O)(=O)c1cccc([N+](=O)[O-])c1 535224376 HVXSSXFTCAGFIX-UHFFFAOYSA-N 380.386 -0.096 5 20 GBBD O=C1C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1 542638100 XQRNUXXIRCDUQB-GWCFXTLKSA-N 382.398 -0.247 5 20 GBBD Cc1c(C(=O)NCCN2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 558282871 GPMIDRSZDUTLKW-UHFFFAOYSA-N 385.446 -0.472 5 20 GBBD COC(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc([N+](=O)[O-])c1 571208612 UJWYATREUCMWOQ-NSHDSACASA-N 386.338 -0.295 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 579950409 VMBNDMRIUVHAAS-LBPRGKRZSA-N 376.373 -0.031 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1(OCCO)CCOC1 597996921 RIXADQSNWWLTDA-SJKOYZFVSA-N 381.385 -0.003 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 609158513 OLTMEJKKSYSPQH-ZDUSSCGKSA-N 391.384 -0.822 5 20 GBBD O=[N+]([O-])c1ccc2ncnc(N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)c2c1 611712896 SFXGNNFTHBSGMX-CABCVRRESA-N 393.425 -0.182 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 768805205 MJRNGVYOHLMSBS-QMMMGPOBSA-N 397.456 -0.420 5 20 GBBD O=C(OCC(=O)N1CCNC1=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769670922 WQVGGMWPQNRFCS-UHFFFAOYSA-N 390.308 -0.043 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1OC 793909696 YDMLBMLWANIYFN-VIFPVBQESA-N 396.356 -0.011 5 20 GBBD Cc1nc(S(=O)(=O)NCCC(=O)OCc2cn(C)nc2[N+](=O)[O-])cn1C 847783400 DKKFPIRXNDHVRC-UHFFFAOYSA-N 386.390 -0.218 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCNC1=O 1325479667 ZFTPXRHCLOTZHT-CYBMUJFWSA-N 390.400 -0.625 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ccccc2O)CC1 1343188453 ZTBGESZRKPCCDW-UHFFFAOYSA-N 388.384 -0.038 5 20 GBBD CC(=O)NCC(=O)N[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@@H]21 1588850219 RINLACQKBLSAPL-HBYGRHMLSA-N 386.372 -0.538 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c1-c1nn[nH]n1 1593484296 UGAWAJUEFZGLDG-NUSWQXQQSA-N 384.399 -0.331 5 20 GBBD CN(C)S(=O)(=O)CC1(O)CCN(c2ncc(C(=O)O)cc2[N+](=O)[O-])CC1 1777034022 FTASPAOLDJDRPI-UHFFFAOYSA-N 388.402 -0.089 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783173639 GGGHLDHANJJJEO-MGPLVRAMSA-N 394.388 -0.714 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)[C@@H]1C=CCN1 1796313643 XHSXYQPRWRKFGQ-OXIQGZBJSA-N 375.385 -0.346 5 20 GBBD C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835518932 OSGCZRULNJNVGA-SJKOYZFVSA-N 396.400 -0.147 5 20 GBBD CN[C@H](CC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C(=O)O 1842949631 WDJXRQFJOUMJQU-GFCCVEGCSA-N 394.388 -0.943 5 20 GBBD CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]cc2[N+](=O)[O-])CCC1=O 1848044569 FALPYFGJAUJZDS-QWRGUYRKSA-N 389.372 -0.259 5 20 GBBD NC(=O)c1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]c1[N+](=O)[O-] 1848299832 ONUQGBCYOQHFSO-QWRGUYRKSA-N 399.367 -0.059 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)CCNC(N)=O)CC2)c([N+](=O)[O-])c1 15036079 SCVHSUQFEZDNKO-UHFFFAOYSA-N 399.429 -0.295 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCS(=O)(=O)N1CCSCC1 264344051 FOMGRFJJHSWYBO-UHFFFAOYSA-N 390.443 -0.749 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 267490360 VOIZXZOROULSEK-NSHDSACASA-N 377.357 -0.816 5 20 GBBD C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 297604937 AXENVRWRXHKJDQ-UONOGXRCSA-N 394.428 -0.166 5 20 GBBD NC(=O)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 376697008 SGAACHOQFAAFKG-NSHDSACASA-N 399.429 -0.220 5 20 GBBD O=C(NCCCN1CCOCC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 559332830 TXGYORHWWQQGRS-UHFFFAOYSA-N 394.432 -0.207 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] 589103731 KFDSXXDJRGEACU-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCNC1=O 591056230 GVDIKAPTZVXYGZ-LLVKDONJSA-N 384.414 -0.094 5 20 GBBD CNS(=O)(=O)CCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 600664806 DMJWVAXFFTYARU-UHFFFAOYSA-N 384.370 -0.754 5 20 GBBD O=C(NC[C@@H]1CNCCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 842274007 HMHPHMYFNALPII-INIZCTEOSA-N 391.428 -0.262 5 20 GBBD CS(=O)(=O)CCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1318641392 QJPUNJYFFBDVNJ-UHFFFAOYSA-N 386.430 -0.618 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1)C(=O)OC 1777104617 LUYKTTCVCBGRIA-SECBINFHSA-N 390.326 -0.324 5 20 GBBD O=C(c1cccc(=O)n1O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388682 KLLFFGXXJBCJAY-UHFFFAOYSA-N 388.340 -0.152 5 20 GBBD O=C(O)CSCC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843390908 ATXOZYJCNNNSTR-UHFFFAOYSA-N 383.386 -0.047 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 25033271 MYJJBPHCLSBQCX-LBPRGKRZSA-N 379.325 -0.115 5 20 GBBD CS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 58241944 BVNQTEMYLQYCLH-UHFFFAOYSA-N 394.431 -0.783 5 20 GBBD N[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 261824837 PPYWRGQQLMQKNS-AWEZNQCLSA-N 386.430 -0.257 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H](CNC(C)=O)C1 265373851 IWMLFKLGBIYONG-GFCCVEGCSA-N 380.357 -0.095 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 267877086 MXHKJIFKRSZYSF-UHFFFAOYSA-N 396.422 -0.671 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 274162800 ZKROIZWNWILSJG-NSHDSACASA-N 392.411 -0.136 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 415611760 XVZKDGYBTQRMLS-CQSZACIVSA-N 375.385 -0.044 5 20 GBBD C[C@H]1CN[C@H](C)CN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423650021 KGPSZTHYRLWFJO-OLZOCXBDSA-N 376.417 -0.153 5 20 GBBD CS(=O)(=O)CCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 503163232 FYHSZOXCTVKMCB-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD CNc1nccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 566746282 YROMUTDSGCOYDR-NSHDSACASA-N 383.430 -0.024 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H](O)[C@@H]1CCCO1 600239936 XLWAEFWJYBUXQJ-KGLIPLIRSA-N 387.414 -0.081 5 20 GBBD O=C(O)CCN(CCO)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 614375936 IXKPHNCVYIVWOP-UHFFFAOYSA-N 376.343 -0.176 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)C3=NNC(=O)C3)CC2)c([N+](=O)[O-])c1 731869333 DXNKSXDBYZEOHM-UHFFFAOYSA-N 395.397 -0.477 5 20 GBBD C[C@@H](NC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCCCC1 748910291 DEMQRVKIPBQHIB-GFCCVEGCSA-N 394.384 -0.183 5 20 GBBD Cc1c(CO)cc([N+](=O)[O-])c(N2CCN3C(=O)C(=O)NC[C@H]3C2)c1[N+](=O)[O-] 768536682 VGUFIMNTXVAGEJ-JTQLQIEISA-N 379.329 -0.549 5 20 GBBD O=C(O)CN(CCO)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 790620878 HFQNKYVBSSUWNC-UHFFFAOYSA-N 389.342 -0.381 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 802094863 HQYXXZUWTQWUHF-UHFFFAOYSA-N 393.399 -0.695 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)O1 826390181 SDMGODMGKNYZHI-APPZFPTMSA-N 397.373 -0.914 5 20 GBBD O=[N+]([O-])c1cccc([C@H](O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1319636773 HGQYDDRXHRCEQM-BZUAXINKSA-N 385.442 -0.596 5 20 GBBD NC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 1819656813 XOTDPKSYYVVNPD-WCBMZHEXSA-N 391.392 -0.367 5 20 GBBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 274649679 DHDMWUQPPFTYKW-STQMWFEESA-N 385.398 -0.784 5 20 GBBD COC(=O)[C@@H](O)C(C)(C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 277087535 RMDBXVNKPODIEC-GFCCVEGCSA-N 390.370 -0.043 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCN1 423161498 SBKXUTQGOKLDAN-LLVKDONJSA-N 395.441 -0.239 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1nnnn1CC1CC1 471715014 KRCYSFKPSUAKEC-UHFFFAOYSA-N 385.340 -0.096 5 20 GBBD CN(C)CCNC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cn1 546796003 INGAOWXZANATNE-UHFFFAOYSA-N 376.377 -0.301 5 20 GBBD COCC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 555558053 CROKOKRMPFMBGY-UHFFFAOYSA-N 386.386 -0.827 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C[C@@H]12 596501179 KVMRKMCLEVNSLS-AXTRIDKLSA-N 391.427 -0.510 5 20 GBBD Cc1nn(C)c(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1[N+](=O)[O-] 603849786 LFXHQOHGKKOJNG-UHFFFAOYSA-N 387.466 -0.749 5 20 GBBD CCn1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])n1 611105544 GWTPRYDYLLKXLE-LLVKDONJSA-N 388.450 -0.323 5 20 GBBD O=C(O)[C@@H]1CCCN1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 738541712 VHDNEESDQNXLAS-LBPRGKRZSA-N 385.402 -0.094 5 20 GBBD COCCOCCS(=O)(=O)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 768220584 SYDPNIKAFSXCRF-UHFFFAOYSA-N 378.407 -0.093 5 20 GBBD O=C(CN1CC[C@](O)(C(=O)O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1601305015 XTDLKVOUFJCRHJ-QGZVFWFLSA-N 378.385 -0.235 5 20 GBBD O=C(O)c1ccc([N+](=O)[O-])c(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1608914722 HADMVWOLPZIDBN-KBPBESRZSA-N 385.398 -0.427 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)c1nc[nH]n1 1787221422 FPAZJGMGSCEWBK-QXEWZRGKSA-N 390.360 -0.657 5 20 GBBD C[C@@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477053 DQWIOLOHAFRLJQ-BJDJZHNGSA-N 380.405 -0.494 5 20 GBBD COC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793438855 LNMLBKLHOMHTDO-KQXIARHKSA-N 381.389 -0.196 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1c1cccnc1)C(O)O 1802921839 BAXVLEBYFFAEJT-FZMZJTMJSA-N 389.368 -0.052 5 20 GBBD O=C1CCc2cc([N+](=O)[O-])c(N3CCN(C(=O)Cn4cnnn4)CC3)cc2N1 263892296 WYMNZQQZRUJDDB-UHFFFAOYSA-N 386.372 -0.185 5 20 GBBD C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 270785222 INCPHCCYZBPZBW-SSDOTTSWSA-N 378.305 -0.064 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 272884830 HZNLXJXBTJWEBO-VIFPVBQESA-N 378.432 -0.064 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 273129036 RABWITKXHUTGFT-LLVKDONJSA-N 382.398 -0.241 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCO1 288045368 IHSCYPLDLGRAQI-AWEZNQCLSA-N 378.385 -0.254 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNS(=O)(=O)N(C)C 288859643 FVYXSMRRVZXZHH-UHFFFAOYSA-N 382.420 -0.722 5 20 GBBD CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416373947 QQYZSDJGKSVSBE-UHFFFAOYSA-N 395.415 -0.401 5 20 GBBD CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416450483 MSMWYWQOPHYYEU-JTQLQIEISA-N 376.343 -0.416 5 20 GBBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 471326658 ILRFOBMOVJDAJI-GXTWGEPZSA-N 385.398 -0.784 5 20 GBBD COC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCS(=O)(=O)CC1 501390780 UKNFWAVMUOCCSB-UHFFFAOYSA-N 392.411 -0.007 5 20 GBBD CN1C(=O)N[C@@]2(CCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)C1=O 507801861 FZDGSEWQEKMSEC-OAHLLOKOSA-N 379.304 -0.175 5 20 GBBD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] 539032111 QZVQUXLAAJBLAJ-UHFFFAOYSA-N 397.413 -0.129 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 555548586 ASMPFZRPLTXFOF-UHFFFAOYSA-N 392.415 -0.993 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] 583152809 CGGCZUUQLFWYFA-SNVBAGLBSA-N 386.434 -0.037 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCn1ncc(-c2nn[nH]n2)c1N 737488821 YAYOKNDDTUDUQY-UHFFFAOYSA-N 376.337 -0.308 5 20 GBBD O=C(C(=O)N1C[C@@H](O)[C@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839209147 GATWTBFNHGJXDQ-SWLSCSKDSA-N 378.385 -0.945 5 20 GBBD Cn1cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C)c1=O 1318642992 CSLSWTJAGUQDPQ-UHFFFAOYSA-N 387.396 -0.050 5 20 GBBD CC(C)[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCOCC1 1321985391 XWAWCXGYBNPATA-CQSZACIVSA-N 382.421 -0.620 5 20 GBBD O=C(NCC(=O)N1CCOCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 1322026726 LJMITFIASMDOLW-UHFFFAOYSA-N 390.352 -0.163 5 20 GBBD O=C1NC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]cc2[N+](=O)[O-])O1 1798684958 PMBGZVCOZLJXCG-DKIAZLNASA-N 378.345 -0.322 5 20 GBBD N=C(N)NCC(=O)N1CCCC12CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)C2 1842882455 NCNNCOYHKDVHEV-UHFFFAOYSA-N 392.391 -0.037 5 20 GBBD CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843387940 DYDKALJJGYQQCE-UHFFFAOYSA-N 379.377 -0.594 5 20 GBBD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847296254 QBXKRDYMUOCXIE-KKUMJFAQSA-N 392.416 -0.092 5 20 GBBD NC(=O)CSCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 265358139 AESWPAHELDINOO-UHFFFAOYSA-N 376.416 -0.792 5 20 GBBD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1 269185665 LAXYFBHINUZEJQ-JTQLQIEISA-N 399.433 -0.375 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H](CO)[C@@H]1CCOC1 281916018 VCRMDISXEQEWKU-GHMZBOCLSA-N 377.353 -0.048 5 20 GBBD Cc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] 299611362 GQFIDTCKJZFBBT-KBPBESRZSA-N 383.426 -0.181 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCOCC1 371624884 POCGZFMKYXMPSO-JSGCOSHPSA-N 399.425 -0.032 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CN2CCN1CC2 437008363 QMKKCMRIHHNFRN-ZDUSSCGKSA-N 375.385 -0.564 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 604465904 IPOGNJGTZLBAMD-UHFFFAOYSA-N 386.430 -0.090 5 20 GBBD CCN(C(=O)COC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 746594509 FBBIGTVKKYAFIG-LLVKDONJSA-N 388.402 -0.240 5 20 GBBD CCN(CC(=O)N(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590679777 KPIJPESCCVTFII-UHFFFAOYSA-N 383.390 -0.126 5 20 GBBD O=C1COC[C@@]2(CNc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])COCCN12 1593400779 SGZKBVWHSHHBQV-CQSZACIVSA-N 376.333 -0.790 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 279268699 RLXHHOUNIUZPSG-LBPRGKRZSA-N 384.414 -0.217 5 20 GBBD Cc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 299693081 VEDACTQXOWIGQJ-LSDHHAIUSA-N 383.426 -0.181 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2nncn2C1 367931345 XRDJAARJEHLJDV-NSHDSACASA-N 394.413 -0.157 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCn2ncnc2C1 473907168 QXZSTTQLIBKNFX-UHFFFAOYSA-N 395.401 -0.310 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CS(=O)(=O)CCO1 509607038 FECXKOJGJWQNTM-WDEREUQCSA-N 389.434 -0.243 5 20 GBBD COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] 525174327 GRFGKCWGYJPSNB-UHFFFAOYSA-N 388.402 -0.514 5 20 GBBD O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 525189236 PALQRHHUIHBMCY-UHFFFAOYSA-N 383.430 -0.082 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 541136408 CVMZKVSCYGYJPF-SNVBAGLBSA-N 386.386 -0.308 5 20 GBBD O=[N+]([O-])c1cccc2ncnc(N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)c12 544394163 HFXDDXSMEDRCRY-KGLIPLIRSA-N 393.425 -0.182 5 20 GBBD CCN(C(=O)CSc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCS(=O)(=O)C1 563437786 CNQNMUFKVNLGAH-MRVPVSSYSA-N 375.432 0.095 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 592929416 OFWLFFIOAMUQEM-NXEZZACHSA-N 386.382 -0.006 5 20 GBBD C[C@H](NC(=O)COC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)N(C)C 747680208 ALFSETKMBXSVJF-JTQLQIEISA-N 390.356 -0.075 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 807174646 QHKHZWDLWMVELV-UHFFFAOYSA-N 383.386 -0.410 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 817917884 ITBCIDZDECIGOO-OAHLLOKOSA-N 377.401 -0.571 5 20 GBBD C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1nncn1C 824640714 NSFYATOHCKAZES-SSDOTTSWSA-N 379.362 -0.057 5 20 GBBD O=C(O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 852958768 RYZZHYLROVZCKD-OIBJUYFYSA-N 393.278 -0.086 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 1329684382 WTTXSNOBVDSNBQ-LLVKDONJSA-N 391.363 -0.163 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 1603335427 OCCNKPSULPUMQV-UHFFFAOYSA-N 388.388 -0.052 5 20 GBBD COC(OC)C(=O)N1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1605012173 INBHZNAMYFRYQG-UHFFFAOYSA-N 378.349 -0.563 5 20 GBBD CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]c4[N+](=O)[O-])[C@H]3C2)C1 1787481466 NMDYSTOXWNTDKA-DRZSPHRISA-N 392.416 -0.527 5 20 GBBD CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1800532483 ZWCNLDXDGUCORB-ADGXKJENSA-N 393.400 -0.349 5 20 GBBD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc([N+](=O)[O-])o2)C1 1841443647 ZMASMCGUFSQTSL-DUXPYHPUSA-N 376.373 -0.113 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCNCC1 262518591 VSGNKOJZVZKZKH-UHFFFAOYSA-N 385.446 -0.715 5 20 GBBD CCCCn1c(N)c(N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(O)nc1=O 266467519 RBKSPYDVBGKXBV-NSHDSACASA-N 381.393 -0.067 5 20 GBBD Cn1c(=O)c2cc(NC(=O)NCCn3cc([N+](=O)[O-])cn3)cnc2n(C)c1=O 269197306 NLSCFEDMTZPDPD-UHFFFAOYSA-N 388.344 -0.441 5 20 GBBD COCCN(C)CCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 286003285 PNMASJFLJBGSSZ-UHFFFAOYSA-N 378.389 -0.218 5 20 GBBD CO[C@@H]1CN[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 373066215 OXYFUWAFFJYGMC-DZGCQCFKSA-N 398.441 -0.195 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cc1 480587160 VKLXEJOUAHZLQN-UHFFFAOYSA-N 380.386 -0.072 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 568328503 YKQDRENPFJTVMS-UHFFFAOYSA-N 382.402 -0.094 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H](O)Cn1ccnn1)OCCO2 573268067 YUUZRJOHIOQVSV-VIFPVBQESA-N 385.358 -0.703 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 596747377 GCDPKUDLUZICBS-WCQYABFASA-N 399.429 -0.367 5 20 GBBD CC(=O)NCC(=O)N1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 600409973 JRCUNCWIHHFVHO-UHFFFAOYSA-N 380.405 -0.277 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])n1 611106250 VLSCYADHULUPET-SECBINFHSA-N 381.436 -0.487 5 20 GBBD CC(C)(C(N)=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 618173765 MFOPCTKAYMXRGI-UHFFFAOYSA-N 384.414 -0.061 5 20 GBBD Cn1nncc1S(=O)(=O)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 781740039 LMFUHGZQEVKFQX-UHFFFAOYSA-N 396.385 -0.321 5 20 GBBD Cc1nc2n(n1)CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C2 826328866 HRFITQVIUMKYDX-UHFFFAOYSA-N 391.373 -0.121 5 20 GBBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@H](CC(N)=O)C2)C1=O 863324898 MAVXWMYBROIIJA-CXAGYDPISA-N 391.384 -0.105 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1842879147 XAOLSYYUMLMAKU-JTQLQIEISA-N 379.373 -0.402 5 20 GBBD NC(=O)[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 51131297 PVZCUAFMDMAGHM-HNNXBMFYSA-N 377.401 -0.571 5 20 GBBD Cc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(N)c([N+](=O)[O-])c1 264260157 SZKJQHBJPUIOBT-SNVBAGLBSA-N 384.414 -0.091 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCCS(C)(=O)=O 266131442 BBLIUCNUBNDKJP-UHFFFAOYSA-N 382.416 -0.057 5 20 GBBD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 282187986 NPRSAVOXHFVBIE-YMTOWFKASA-N 399.429 -0.315 5 20 GBBD COc1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 298893105 YHFGXJUQEMCRQK-UHFFFAOYSA-N 384.370 -0.521 5 20 GBBD CNC(=O)CCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 299296921 XGYDDHRKLFWLPQ-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD O=C1C[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)N1CCOCCO 414107998 KWZNAIHQHSERGD-CQSZACIVSA-N 393.400 -0.752 5 20 GBBD CCOC(=O)[C@@H]1NCC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 422933182 HKDQZPQRQZSYOB-UONOGXRCSA-N 386.430 -0.244 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c([N+](=O)[O-])c1 424374444 ZBPQBKNYZCFRSU-NSHDSACASA-N 378.384 -0.224 5 20 GBBD NS(=O)(=O)CC1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 427501784 JUFCRBVDPLWGAD-UHFFFAOYSA-N 378.432 -0.253 5 20 GBBD COC(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C(=O)OC 511331269 CPZMDKJLRZXUSA-FZMZJTMJSA-N 381.341 -0.290 5 20 GBBD CNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 513835635 QYPDRLPZJWSSPJ-UHFFFAOYSA-N 384.414 -0.498 5 20 GBBD CC1=NNC(=O)[C@H]1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 523693896 HFJHAQYSWZGZBC-ZDUSSCGKSA-N 397.413 -0.109 5 20 GBBD NC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 542795303 RLTPUJBWAYFIAX-UHFFFAOYSA-N 399.367 -0.229 5 20 GBBD O=C(NCC(=O)N1CCNCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 578745566 HOAHAYYDDXNWMR-UHFFFAOYSA-N 375.385 -0.973 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 598863213 BPQYMYKXHVAOFT-JOYOIKCWSA-N 385.354 -0.569 5 20 GBBD Cc1c(C(=O)N2CC(NS(C)(=O)=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 600327389 TXONPWXVCSJPRG-UHFFFAOYSA-N 380.386 -0.142 5 20 GBBD CS(=O)(=O)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-n1cnnn1 755281522 SBXPIVVTAJNRRI-UHFFFAOYSA-N 391.387 -0.286 5 20 GBBD CO[C@H](C)CS(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 764215784 LIOBMUWRIAERPH-MRVPVSSYSA-N 385.354 -0.328 5 20 GBBD O=C(C(=O)N1CCC[C@H](O)C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1261300864 JWZZRZRGWGJGAM-HNNXBMFYSA-N 390.396 -0.138 5 20 GBBD CC1(C)OC[C@@H](CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 1331650192 OWWQWWOKCQVPKG-GFCCVEGCSA-N 393.400 -0.094 5 20 GBBD COC[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1605073393 AIPABYVEVTVKCE-VIFPVBQESA-N 384.374 -0.189 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401980 UOHCGLCVUXBAFN-PEGIJTEDSA-N 387.356 -0.375 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404053 CLLYGJQPPMCKMT-YFKTTZPYSA-N 379.373 -0.442 5 20 GBBD CC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792692 AOKAMJPSMRPPSP-LRDDRELGSA-N 397.388 -0.841 5 20 GBBD C[C@H](Cn1cncn1)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265305302 OGLGRZGUSIAKHQ-LLVKDONJSA-N 397.417 -0.148 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 280150733 SXMCAHGWROLOIW-HNNXBMFYSA-N 399.429 -0.232 5 20 GBBD C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C 299287882 YHCNICDQRJLHQB-SNVBAGLBSA-N 387.418 -0.351 5 20 GBBD O=C(CN1CCc2ccc([N+](=O)[O-])cc21)NC(=O)N[C@@H]1CCS(=O)(=O)C1 411535662 PZUQBYHKXWZSKS-LLVKDONJSA-N 382.398 -0.030 5 20 GBBD CCS(=O)(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 498233320 NDOSSLZJCAOLRE-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD O=C([C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1)N1CCNCC1 517741808 YLRIEWFSZAZYQI-LBPRGKRZSA-N 383.430 -0.178 5 20 GBBD O=[N+]([O-])c1cccc2ncnc(N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)c12 544394164 HFXDDXSMEDRCRY-UONOGXRCSA-N 393.425 -0.182 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 599260382 ZSVWFPWCEXNIIU-QSFUFRPTSA-N 395.397 -0.586 5 20 GBBD Nc1nc(N2CCN(c3ccccc3S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] 615498572 NMVMZWKRKJCTFN-UHFFFAOYSA-N 379.402 -0.059 5 20 GBBD Cn1cc([C@H](O)CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 743648736 PEKPRFOTPMGUJX-CQSZACIVSA-N 397.413 -0.154 5 20 GBBD NC(=O)[C@H]1CC(C(=O)OCCn2cnc([N+](=O)[O-])n2)=NN1c1ccc(F)cc1 749079633 NAOSZOIXFBYVET-GFCCVEGCSA-N 391.319 -0.011 5 20 GBBD O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccnc(N2CCOCC2)n1 860875746 GIKPRIKMFCPDND-UHFFFAOYSA-N 394.369 -0.265 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 1325514399 LVMLPFXRXNHUEG-UHFFFAOYSA-N 398.441 -0.397 5 20 GBBD O=C1OCCN1CCS(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1582789219 GSNNLVVREWVFLS-UHFFFAOYSA-N 384.330 -0.064 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)c1ccc([N+](=O)[O-])[nH]1 1798745411 PHXIDHSNGUODIA-BZBKMWRSSA-N 375.345 -0.442 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)Cn2cccnc2=O)c([N+](=O)[O-])c1 32799754 RDHHMXAUTCBPCD-UHFFFAOYSA-N 395.397 -0.217 5 20 GBBD CCN1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 273542009 YJOXGAVRVWYXFZ-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD CO[C@H](C)CS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 282202492 OTRZPPNTHJXJBA-SNVBAGLBSA-N 381.432 -0.173 5 20 GBBD COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 298126381 WIFBOHDFKVOCGP-CABZTGNLSA-N 381.341 -0.066 5 20 GBBD C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 423695322 BRBWQJCINQNAER-SNVBAGLBSA-N 383.430 -0.254 5 20 GBBD C[S@](=O)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 730095100 URYSJGWXCNDYRM-QHCPKHFHSA-N 378.432 -0.461 5 20 GBBD COC[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(N)=O 760045705 YJARJQOHVAKEJC-JTQLQIEISA-N 375.341 -0.321 5 20 GBBD Nc1c([N+](=O)[O-])ccc(NC[C@@]2(CO)COC[C@@H]3CCCN32)c1-c1nn[nH]n1 1592758086 SDWWYMZODQNDQT-MGPLVRAMSA-N 390.404 -0.005 5 20 GBBD C[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 44565895 SRWBIZUKOWIEQT-JTQLQIEISA-N 385.402 -0.516 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nc(=O)[nH][nH]2)CC1 271207865 SUWBEGDJPSIPSH-UHFFFAOYSA-N 382.402 -0.179 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCc3nnnn3C)cc2[N+](=O)[O-])CC1 276682606 WHEKNASMFQKVQG-UHFFFAOYSA-N 388.388 -0.283 5 20 GBBD O=C(O)[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCS1(=O)=O 424367567 MRCQURPYGAQAQA-NSHDSACASA-N 378.384 -0.392 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCC(C(=O)OC)CC2)c1=O 497676113 KDNVXDFLZBCJCZ-UHFFFAOYSA-N 381.341 -0.045 5 20 GBBD COCCS(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 507503971 NXIDRQYSJDUWLA-UHFFFAOYSA-N 381.432 -0.024 5 20 GBBD C[C@@H](CN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)O 562959266 PDGXYDZTVCVNFE-NSHDSACASA-N 379.373 -0.183 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)N1 572593298 CRQKBHKCXVZPGP-STQMWFEESA-N 376.417 -0.153 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 592321866 CTZABMNULJLQBF-MWLCHTKSSA-N 381.341 -0.076 5 20 GBBD Cn1cnnc1N1CCN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 593941865 NXPISVLAJFMFHR-UHFFFAOYSA-N 396.385 -0.068 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 599316161 LKNBVQXLEYCXFI-NXEZZACHSA-N 395.463 -0.285 5 20 GBBD Cn1nnnc1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 611316063 ZOJJSFDOYHPMPP-UHFFFAOYSA-N 383.390 -0.854 5 20 GBBD O=C(N[C@H]1CCOC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655966 JWUZAYCEMFHQNN-GVXVVHGQSA-N 385.398 -0.376 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@](F)(CO)C1 619817001 GYVCFYQUHFJPHD-CQSZACIVSA-N 390.393 -0.011 5 20 GBBD CO[C@H](C)CS(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 764179211 GFOBCUDLOKWWEO-SECBINFHSA-N 387.370 -0.199 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)OCc1cc(O)ccc1[N+](=O)[O-])c(=O)n2C 837375570 DDNKOZBVPWXKKI-UHFFFAOYSA-N 389.324 -0.209 5 20 GBBD O=C(NCc1cccnn1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1322861172 HKWOGLOFBAWVGW-UHFFFAOYSA-N 398.379 -0.014 5 20 GBBD O=C(C(=O)N1CCC[C@H](O)C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1330893556 YATLRZFZJGWPHL-NSHDSACASA-N 396.425 -0.076 5 20 GBBD CCNC(=O)CC(=O)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1590741090 KGUPQNWFNDINAW-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])n[nH]1 1796404658 RSOZLVWRGDXPPO-PEGIJTEDSA-N 389.372 -0.134 5 20 GBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1835551351 GYJOESAYLZAXFE-KRWDZBQOSA-N 396.375 -0.237 5 20 GBBD N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1842909544 LAISTSWWGCVYGB-UHFFFAOYSA-N 375.389 -0.420 5 20 GBBD C=CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844370206 HZHPFYNVRMXVJA-JTQLQIEISA-N 376.373 -0.174 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1ccn(CC(=O)N2CCOCC2)n1 269117416 IWDQKYNGUCBTOI-UHFFFAOYSA-N 392.376 -0.332 5 20 GBBD COC(=O)c1cn(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])nn1 285782846 LLTBVVBKGIJLEY-UHFFFAOYSA-N 377.313 -0.019 5 20 GBBD COC[C@@H]1C[C@H](O)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 413901090 ATURYNWSHLNZLO-STQMWFEESA-N 387.414 -0.177 5 20 GBBD CCOC(=O)[C@H]1NCC[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 422978141 HCQBVPWBFHRAMD-RISCZKNCSA-N 386.430 -0.244 5 20 GBBD O=C(O)[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 486058583 BAKVLXTYBGUIEA-GFCCVEGCSA-N 387.370 -0.425 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 517641571 UWUWUNUBEOKNFI-CYBMUJFWSA-N 377.401 -0.318 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 542996562 PGTJDLGCVDXXOB-UHFFFAOYSA-N 386.386 -0.354 5 20 GBBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](O)C(N)=O 590537130 AQLKIGHJGQCWAZ-RYUDHWBXSA-N 384.414 -0.591 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c1 760553624 USDLGVZYSWPYGF-UHFFFAOYSA-N 379.416 -0.465 5 20 GBBD Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)Cn3cc([N+](=O)[O-])cn3)ccc21 774921439 TVTZWYUENMIRDF-UHFFFAOYSA-N 394.369 -0.513 5 20 GBBD NC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 817917876 ITBCIDZDECIGOO-HNNXBMFYSA-N 377.401 -0.571 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ccccc2)C(=O)C1 1261927213 GEONWSOTZVNFJB-UHFFFAOYSA-N 386.368 -0.217 5 20 GBBD O=C(C(=O)N1CCS(=O)(=O)CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1331005250 DEKYBGRCEZMTFR-UHFFFAOYSA-N 396.425 -0.500 5 20 GBBD O=C(CN1CCCS1(=O)=O)OCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1592866214 RIIKIUKSSFBHME-UHFFFAOYSA-N 382.358 -0.146 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ccncn1 1796520075 ZRTITNCREJMNHB-PEGIJTEDSA-N 387.356 -0.375 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1799796113 XKBPZMMLYNFJTK-DPIQGUFMSA-N 391.428 -0.177 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 275090353 KDABLPJKXKJLMQ-VIFPVBQESA-N 396.374 -0.004 5 20 GBBD COCC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 288488200 VTZCHNJCOMKLRJ-GFCCVEGCSA-N 386.386 -0.170 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCNS(=O)(=O)N(C)C 297418181 PUTGRRRZPSVUTI-UHFFFAOYSA-N 375.407 -0.201 5 20 GBBD COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 419808696 DTHLZMJGEVIPDA-LBPRGKRZSA-N 378.341 -0.187 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCN1 423395325 SOQNRSXBPWQLOF-ZDUSSCGKSA-N 389.412 -0.301 5 20 GBBD NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCc3c2cccc3[N+](=O)[O-])c[nH]1 469031284 SZXJTKSCTZDLSB-UHFFFAOYSA-N 393.381 -0.111 5 20 GBBD Cn1nnc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 490666282 BEMNFKRVZPYMAR-GFCCVEGCSA-N 395.401 -0.412 5 20 GBBD Cn1c(O)ncc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 543671377 FZDAJFQKFGKUOY-UHFFFAOYSA-N 382.354 -0.402 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 568337863 FMYLHOZGNUYUAZ-UHFFFAOYSA-N 397.417 -0.333 5 20 GBBD CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 569464812 LJSWMUYYYKDWMJ-SNVBAGLBSA-N 393.447 -0.461 5 20 GBBD Cc1c(C(=O)N(CCO)CCOCCO)nnn1-c1cccc([N+](=O)[O-])c1 600117155 QTTUWPOWOUHTFN-UHFFFAOYSA-N 379.373 -0.073 5 20 GBBD NS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609548027 PICOBEDNEACIHV-QMMMGPOBSA-N 376.416 -0.334 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 619876666 UXIODMVHTYPXIQ-LBPRGKRZSA-N 381.341 -0.179 5 20 GBBD NC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 729344088 ANXIZCKQXFIDKJ-UHFFFAOYSA-N 377.401 -0.326 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cnc1N 854380899 GKRLFFSABJKEOB-NSHDSACASA-N 381.345 -0.908 5 20 GBBD O=C(NCC(=O)N1CCOCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 1324248400 ZGHVBAMSZMLRTJ-UHFFFAOYSA-N 384.776 -0.161 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1326410467 STMACVQBPQUHOY-JSGCOSHPSA-N 379.369 -0.364 5 20 GBBD CN(CC(C)(C)CNC(=O)CC(=O)NCc1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1576787709 SYLSDMNXFNCOHU-VXGBXAGGSA-N 395.420 -0.923 5 20 GBBD CN(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795433156 AVTOOHTVVSZIGX-FVCICTRLSA-N 394.432 -0.667 5 20 GBBD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)=NN1 1798747337 XNJDNIHQJDHVCA-ICCCGROCSA-N 390.356 -0.998 5 20 GBBD COc1cc(C(=O)N2CC3(CCCN3C(=O)C(O)O)C2)cc([N+](=O)[O-])c1OC 1841236571 RRFACGJGYORQLV-UHFFFAOYSA-N 395.368 -0.260 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 108863003 DTDLCFAMKHJARC-UHFFFAOYSA-N 388.450 -0.088 5 20 GBBD CS(=O)(=O)N1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 272561481 SEXMHVFFRDBCIZ-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](CO)O1 410978573 LNVJSWUENSSQDA-STQMWFEESA-N 393.400 -0.753 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(NC[C@](C)(O)CO)c([N+](=O)[O-])c1 480838444 IHOUXKDEKQTQTR-HNNXBMFYSA-N 390.462 -0.020 5 20 GBBD COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 562465659 OTHYWZHKAKNKNL-LLVKDONJSA-N 391.377 -0.114 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](CN)C1 566091962 XPDKLZGQVMLIIQ-AWEZNQCLSA-N 390.444 -0.655 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 574522646 BXWSOCLBVGMQOS-LBPRGKRZSA-N 384.414 -0.135 5 20 GBBD O=C(C(=O)N1CCc2c[nH]nc2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 590990066 LRTYSUFXDJUNDV-UHFFFAOYSA-N 385.384 -0.054 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 1323907279 YFWYEFGMZFIYFJ-CYBMUJFWSA-N 392.416 -0.328 5 20 GBBD COc1cccc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 1324669847 OWLVTHANQQFWBJ-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD CN1C[C@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O 1328699734 BMTWKPROWGZHAA-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD COC(=O)C1CCN(C(=O)[C@H](C)n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CC1 1579442386 GNJGNRFMXDIWJO-QMMMGPOBSA-N 378.349 -0.056 5 20 GBBD CC[C@@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380506 WWDCIBHSQPSVEN-BDJLRTHQSA-N 380.405 -0.241 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801676098 CFSLZWALWNCCMK-RUZUBIRVSA-N 392.416 -0.046 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(CO)on1 1848165034 FDHXMDIOMHEXHW-KBPBESRZSA-N 390.356 -0.213 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 68736467 LWCSFBUTKATFTC-LLVKDONJSA-N 392.368 -0.316 5 20 GBBD CCc1[nH]nc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 266437995 KSNJMRBJMJECBP-LLVKDONJSA-N 380.405 -0.457 5 20 GBBD COc1cc(OCC(=O)NCCNS(=O)(=O)N(C)C)ccc1[N+](=O)[O-] 297172847 TYHFOUQLZKVCNG-UHFFFAOYSA-N 376.391 -0.506 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] 373970668 RULPJKXKSMALPR-JSGCOSHPSA-N 387.389 -0.039 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CC(n3cc(C(N)=O)nn3)C2)ccc1[N+](=O)[O-] 374662398 KONBVZUWCFSKJI-UHFFFAOYSA-N 387.356 -0.593 5 20 GBBD NCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 418859483 BJEPNBOSUURHIL-CQSZACIVSA-N 391.428 -0.433 5 20 GBBD C[C@H]1NCCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420173742 VUTHYXNFXSNXDD-BXUZGUMPSA-N 398.441 -0.259 5 20 GBBD Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])nn1C 481747690 IJAMMSQJQOAEAO-UHFFFAOYSA-N 390.403 -0.493 5 20 GBBD O=C(CO)N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 537171348 BQBJZUCKLYWZRF-UHFFFAOYSA-N 387.370 -0.809 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 569961586 QNEHLDFETPHRFJ-TZMCWYRMSA-N 390.466 -0.597 5 20 GBBD COC(=O)COCCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 600401060 LDGYERZMWOFRKH-UHFFFAOYSA-N 375.359 -0.530 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 745971514 CIECUVOVVLYRAX-SECBINFHSA-N 378.432 -0.253 5 20 GBBD Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 750085273 ACIIXGDAWYCENL-UHFFFAOYSA-N 377.313 -0.682 5 20 GBBD NS(=O)(=O)c1cnn(CCC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c1 761391615 DEBAACAVQPFMAK-UHFFFAOYSA-N 385.358 -0.766 5 20 GBBD CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)Cn1ncn(C)c1=O 839062850 TZDJCZYYMOIYAI-UHFFFAOYSA-N 398.401 -0.183 5 20 GBBD COC(=O)[C@@](C)(NC(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1 863300092 DRTOJUCMQZRHIO-KRWDZBQOSA-N 390.352 -0.190 5 20 GBBD O=C(CN1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1)N1CCCC1 1592869214 VHKBTLNWFJMUCZ-UHFFFAOYSA-N 387.404 -0.086 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382014 CTVZFTYIAXCNQW-SJCJKPOMSA-N 392.416 -0.144 5 20 GBBD O=C(COCCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1789917320 CZFDAXIGRWQWLX-OBJOEFQTSA-N 396.400 -0.475 5 20 GBBD O=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]c2[N+](=O)[O-])CN1 1796853448 YVARCZUANUCKFX-CHWFTXMASA-N 376.373 -0.294 5 20 GBBD CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)C1 1801557980 JWHVSYXLXMRWKG-JJLQDPRZSA-N 377.401 -0.312 5 20 GBBD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CCN1 1846423305 UFDRZGYJARUVHG-JTQLQIEISA-N 376.373 -0.339 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 21790811 ODMBZLDIVFMRJZ-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 68302873 BQYLHWZYGJARDU-UHFFFAOYSA-N 399.381 -0.040 5 20 GBBD O=C(NCCCN1C(=O)CNC1=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 264582035 YFMQOXVIVNSGBX-TZMCWYRMSA-N 395.372 -0.770 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 274601239 UADBYIHMTROMOZ-UHFFFAOYSA-N 391.384 -0.680 5 20 GBBD CN(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O 286943494 AFVYDHIOMNGDAX-CHWSQXEVSA-N 388.402 -0.726 5 20 GBBD C[C@H]1CS(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 292647932 AFRWVESKFRPOKD-JTQLQIEISA-N 391.427 -0.481 5 20 GBBD C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)CO 297691629 HPXDDVVMHVZIIM-ZIAGYGMSSA-N 394.428 -0.166 5 20 GBBD COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 298215790 ZOJHJLOWXVSGBA-LBPRGKRZSA-N 380.405 -0.028 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 298816044 VWIILNRHLRLCTH-UHFFFAOYSA-N 391.384 -0.950 5 20 GBBD CCn1cc([N+](=O)[O-])c(-c2nc(CC(=O)NCCN3CCOCC3)no2)n1 350269309 VIIYHNBGXAHXLR-UHFFFAOYSA-N 379.377 -0.148 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 468774405 BBSXNTQJUYSIFR-UHFFFAOYSA-N 398.376 -0.072 5 20 GBBD COc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] 471316410 XPMGSXAFIORYEH-UONOGXRCSA-N 399.425 -0.481 5 20 GBBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 471326659 ILRFOBMOVJDAJI-JSGCOSHPSA-N 385.398 -0.784 5 20 GBBD CN(CC(=O)NC(C)(C)c1nn[nH]n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 475001018 MWCHMAOYPHCGNI-UHFFFAOYSA-N 383.390 -0.220 5 20 GBBD O=C(NCCCN1C(=O)CNC1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 521723579 UMDLFSZOJSETLN-UHFFFAOYSA-N 391.388 -0.237 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCn1ncnn1 533225735 RSBAKXHOQQYXOX-SECBINFHSA-N 383.390 -0.158 5 20 GBBD CN(C)C(=O)NCCN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 538316785 NHDKUSKGWSSHGT-UHFFFAOYSA-N 377.357 -0.080 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])CCN2C1=O 595275829 APTZPUTZJNPRHG-QWHCGFSZSA-N 375.385 -0.976 5 20 GBBD O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)NC(=O)N1 597700022 IXDDMMOVFWBAFQ-NSHDSACASA-N 375.341 -0.523 5 20 GBBD O=C1CN(CC(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C(=O)N1 735349361 BXJJIPKLAJXROS-UHFFFAOYSA-N 378.297 -0.012 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1F 736410338 QXBZYODUDYAQEJ-ZIAGYGMSSA-N 387.389 -0.039 5 20 GBBD O=C1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CN1C1CC1 826478688 HWPBTJJFXHPSLN-QMMMGPOBSA-N 393.385 -0.184 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(=O)OC)c([N+](=O)[O-])n1 833681543 DMTNWUJNHKNNPT-RKDXNWHRSA-N 390.374 -0.162 5 20 GBBD C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 1321959595 FQIBMMZVFYWMHM-BETUJISGSA-N 396.448 -0.089 5 20 GBBD COc1ccc(CNC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] 1327792457 WOHURQHOVKKGOQ-CYBMUJFWSA-N 379.417 -0.418 5 20 GBBD CN(CCNC(=O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1591097592 PFEFAHPVUBLDHO-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1606618894 OMFLAQARTKFYDD-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD NC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1785629251 CDOOTAZQQNMNTK-HNNXBMFYSA-N 380.361 -0.965 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011066 XGXSBJHDWAOWTJ-PEGIJTEDSA-N 376.329 -0.177 5 20 GBBD CN[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)O 1798685979 VGCJSAQKWZSZGP-VLEAKVRGSA-N 394.388 -0.368 5 20 GBBD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2)c1n[nH]cc1[N+](=O)[O-] 1820293792 YDWIGWSZWDDPAO-YFKPBYRVSA-N 382.358 -0.689 5 20 GBBD CN[C@@H](CC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C(=O)O 1842949632 WDJXRQFJOUMJQU-LBPRGKRZSA-N 394.388 -0.943 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)NCCS(=O)(=O)NC[C@H]1CCCCO1 264648737 IDNIQXWFUAKEDL-LLVKDONJSA-N 375.407 -0.604 5 20 GBBD O=[N+]([O-])c1c(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2sccn12 270873773 AFQLPRLSFPCLAA-VHSXEESVSA-N 387.443 -0.416 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 371988125 ZPLGVRCITTXSQB-GFCCVEGCSA-N 399.429 -0.161 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 416461615 YLLVFEFQWCDYLS-UHFFFAOYSA-N 387.370 -0.482 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)C1=O 422227107 JBXRUGFBHKZWNN-ZDUSSCGKSA-N 399.429 -0.255 5 20 GBBD CCOC(=O)[C@H]1NCC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 422933180 HKDQZPQRQZSYOB-KBPBESRZSA-N 386.430 -0.244 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCC(F)F 444255746 DKCLIRRSIQBCMG-UHFFFAOYSA-N 380.329 -0.629 5 20 GBBD COCCN(CC(=O)N(C)C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 498433215 LGLCQHACZLZMPG-UHFFFAOYSA-N 395.416 -0.043 5 20 GBBD COc1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 507943249 ZTHZMSSFOZHDDB-HUUCEWRRSA-N 385.442 -0.121 5 20 GBBD O=C(C(=O)N1CC[C@@H]2NCC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 565298593 HWUJDKMTRIMGPT-HIFRSBDPSA-N 388.428 -0.151 5 20 GBBD NC(=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 600679481 KSPKWRCKQZEREN-QWRGUYRKSA-N 380.357 -0.105 5 20 GBBD NS(=O)(=O)c1ccccc1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 615489010 UISJMSRCJWXOGY-UHFFFAOYSA-N 395.401 -0.818 5 20 GBBD COCCn1cc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)nn1 842322881 XUMMEWMCBKSJHK-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 1119080991 YQEGLRZNDYCRIX-ZDUSSCGKSA-N 392.416 -0.089 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778132198 DVLNWJUZDPKARX-OHUAYANFSA-N 379.373 -0.468 5 20 GBBD O=C1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO3)=NN1 1778933943 UOLPSAINJHJVLJ-MRXNPFEDSA-N 391.340 -0.493 5 20 GBBD COC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008628 CZPWMCOHZMHKBN-HNCHTBHHSA-N 381.389 -0.196 5 20 GBBD C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485240 ZIQQBFHZQGEDEV-PXAZEXFGSA-N 396.400 -0.147 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998633 BQEJPUPPZBQBTE-LLVKDONJSA-N 378.389 -0.494 5 20 GBBD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([N+](=O)[O-])o2)N1 1847167944 BWOJQBVQUWWEDZ-UTLUCORTSA-N 391.340 -0.399 5 20 GBBD O=C(CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccccc1[N+](=O)[O-] 265404403 ZDAQIPAIVQVHSS-ZFWWWQNUSA-N 398.441 -0.379 5 20 GBBD COc1ccc(CNC(=O)NCCNS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 297387871 NMMDOCSOYCLVBT-UHFFFAOYSA-N 375.407 -0.201 5 20 GBBD C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 298547530 BXTXZKLUGDVCGL-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 436965012 JMTCGYJFFWQINT-UWVGGRQHSA-N 385.398 -0.030 5 20 GBBD C[C@@]1(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC(=O)N1 455610596 BUNZWCJVTUFEGH-HNNXBMFYSA-N 399.429 -0.159 5 20 GBBD CNC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 470649072 PYCFNORKJMSUOG-UHFFFAOYSA-N 378.389 -0.122 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCCNS(=O)(=O)c1ccc(Cl)s1 508173789 GBZYXTKEWFDGQM-UHFFFAOYSA-N 394.822 -0.004 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cn(C)c(=O)n(C)c1=O 516876818 IYRGRTRMTBEYOJ-SECBINFHSA-N 379.377 -0.137 5 20 GBBD CC(C)NS(=O)(=O)NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 517359729 NXULDOSHHBQFGL-ZDUSSCGKSA-N 376.435 -0.244 5 20 GBBD CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 555559811 SPHCYTDDWIBMKQ-QMMMGPOBSA-N 379.416 -0.205 5 20 GBBD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccnc(NC)c1[N+](=O)[O-] 568659660 GOLCGLBVABZWGF-SNVBAGLBSA-N 399.429 -0.203 5 20 GBBD CNc1nccc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 579244096 NDTSGPBNPUSJLY-LLVKDONJSA-N 385.446 0.222 5 20 GBBD CNC(=O)[C@H]1CN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CCO1 781574914 IQHKZYOVAQHQJV-CXAGYDPISA-N 391.384 -0.234 5 20 GBBD O=Cc1ccc(OCC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c([N+](=O)[O-])c1 874965093 IGKHDTCRDCGKSH-LLVKDONJSA-N 386.338 -0.504 5 20 GBBD O=[N+]([O-])c1ccc([C@H](O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1319846179 SHHPNOIIAVDZHD-BZUAXINKSA-N 385.442 -0.596 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1ccc(-c2nn[nH]n2)c(F)c1 1593310604 RUEQUVZSXQZXTM-TZMCWYRMSA-N 393.379 -0.419 5 20 GBBD COCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784818 ZHCRJKBWJLRSKF-QGZVFWFLSA-N 394.384 -0.767 5 20 GBBD CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006039 IPCGAGFGZYZEJE-OHTBPHCPSA-N 381.389 -0.584 5 20 GBBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1)c1nc[nH]c1[N+](=O)[O-] 1818073835 FZLCYQRIFHLIMO-QMMMGPOBSA-N 379.333 -0.342 5 20 GBBD CNC(=O)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)c1ccccc1 53767841 ASWYEKQAEWWNIN-CQSZACIVSA-N 387.352 -0.541 5 20 GBBD C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CCN1c1ncc([N+](=O)[O-])c(N)n1 264963663 OBQBJUVISXQFCX-ZETCQYMHSA-N 376.337 -0.038 5 20 GBBD CNS(=O)(=O)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 275934910 WPXZRKWBJXKRIX-UHFFFAOYSA-N 376.416 -0.549 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 276209312 KZSFRGYDMPKCGG-KGLIPLIRSA-N 384.414 -0.595 5 20 GBBD Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 419455286 ONUDSGZFQRFNTI-ZDUSSCGKSA-N 379.417 -0.074 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 459840242 AVDYUWZSMNMEAC-GOSISDBHSA-N 389.412 -0.033 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 517020349 AJYLDPDWEAGENS-UHFFFAOYSA-N 391.428 -0.154 5 20 GBBD CCOC(=O)c1ccc(N2CC(NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)nc1 542368077 ZKMJZUKUHSUJIV-UHFFFAOYSA-N 375.345 -0.237 5 20 GBBD CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CCO1 567903397 QZDSKADIEYKPTR-GFCCVEGCSA-N 387.370 -0.181 5 20 GBBD NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 576715517 LXZJUYCUDMDZEX-ZIAGYGMSSA-N 396.425 -0.061 5 20 GBBD CCOC(=O)c1ccnc(N2CCOC[C@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] 599185544 ROZXNNDRUKYUDG-SNVBAGLBSA-N 388.402 -0.079 5 20 GBBD Cn1ccc(N2CCC[C@@H](NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C2=O)n1 599247070 BXLZTVWWAXZUSD-SECBINFHSA-N 383.390 -0.464 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 609522510 SUEFTGSIDFCGOF-ZDUSSCGKSA-N 380.405 -0.817 5 20 GBBD C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 748132227 GXLWUSPHZYIBOZ-JKKYPKHBSA-N 378.341 -0.115 5 20 GBBD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)OCCn1ccc([N+](=O)[O-])n1 786365163 GYJQFGIPEWJJRG-DMTCVQMQSA-N 378.341 -0.113 5 20 GBBD COC(=O)CNC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 805155842 VLYPWLGFAGKIFW-UHFFFAOYSA-N 381.297 -0.847 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)CCNS(C)(=O)=O 1318910699 OSITWRWFQOCSCT-UHFFFAOYSA-N 396.447 -0.238 5 20 GBBD COC(=O)[C@@H](CCF)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591231171 DVALVOVZTDEKSE-SECBINFHSA-N 388.337 -0.046 5 20 GBBD NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779388875 JLLLXDXASATYIK-OAHLLOKOSA-N 380.361 -0.973 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 288340181 WEMALIHLOQYUBX-UHFFFAOYSA-N 383.386 -0.026 5 20 GBBD CNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 298792065 SLSFDNGGLLNXEE-GFCCVEGCSA-N 377.401 -0.397 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC(=O)NC1 421994569 SYTXBDDFIKLCLW-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD Cn1cc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 428552193 UUBLPLUPOBHDHV-ONGXEEELSA-N 396.385 -0.514 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 447920431 XLQVNZLMGLCFIY-LBPRGKRZSA-N 380.357 -0.095 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)O1 470804786 VKBYCKFWWJAIIN-KCJUWKMLSA-N 376.325 -0.660 5 20 GBBD Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 492273474 KZQDFSYDFKFNKT-UHFFFAOYSA-N 385.344 -0.170 5 20 GBBD CC(C)[C@H](C(=O)O)N1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 568490070 FLIPENDZSWFQIH-MWLCHTKSSA-N 386.386 -0.022 5 20 GBBD COC[C@@](C)(CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 613534129 JSWFAVMUVIGEIF-CQSZACIVSA-N 375.403 -0.223 5 20 GBBD CCOC[C@H](O)CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 736608030 GKNBSYYQHYYJPL-GFCCVEGCSA-N 378.393 -0.311 5 20 GBBD C[C@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)n1cccn1 815974576 JYZUTOWZVKVBKD-SNVBAGLBSA-N 396.385 -0.289 5 20 GBBD C[C@H]1OC(=O)N[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 817643996 SPYNBFHEEWHWDD-BXKDBHETSA-N 386.386 -0.172 5 20 GBBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)CCn1ncn(C)c1=O 838935755 IKLKOCLPKLLPHL-UHFFFAOYSA-N 398.401 -0.183 5 20 GBBD O=C(NCCN(CCN1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] 839762972 WOSYKPAKFSGRFT-KBUPBQIOSA-N 397.432 -0.253 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NC[C@H]2COCCN2)cc1[N+](=O)[O-] 858629457 RMNZDABSBRZDMW-JTQLQIEISA-N 386.386 -0.182 5 20 GBBD CN1CCOC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591195123 SRVQIJSVBMDXHS-VIFPVBQESA-N 383.390 -0.616 5 20 GBBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1781763033 QHTAFTWYKXGETK-MRXNPFEDSA-N 383.332 -0.512 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090979 FIHZVXREJPUMJL-UHFFFAOYSA-N 380.386 -0.281 5 20 GBBD O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 263743348 BLPBVPAESHCLHG-UHFFFAOYSA-N 394.413 -0.364 5 20 GBBD NS(=O)(=O)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 265491381 BNSKQYOFFDYBMB-UHFFFAOYSA-N 396.328 -0.071 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)c(C)c([N+](=O)[O-])c1 487770103 LHXAQQHZRQVJDS-LLVKDONJSA-N 378.341 -0.025 5 20 GBBD C[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC1=O 748380333 RWLVDPZIJXSXMC-JTQLQIEISA-N 393.356 -0.123 5 20 GBBD CCn1cc(S(=O)(=O)N2CCSC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])n1 754810048 OHDDUPOTYPFLLE-SECBINFHSA-N 384.461 -0.081 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 783754059 COAAYYGNFMUDJO-SNVBAGLBSA-N 399.429 -0.267 5 20 GBBD Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 822631948 MOOINTBGAPGTJQ-OCCSQVGLSA-N 387.356 -0.062 5 20 GBBD C[C@@H](CS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 827564104 VQIPEHQEPVXXFG-VIFPVBQESA-N 395.415 -0.487 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1333821398 RTQFHAOTQSQVCD-UHFFFAOYSA-N 399.429 -0.838 5 20 GBBD COCCN(Cc1ccccn1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1347103865 CWUMUTKWRAFENK-UHFFFAOYSA-N 376.373 -0.022 5 20 GBBD C[C@]1(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CCCN1 1779387101 QYXTYFDZXIPLOT-SJORKVTESA-N 392.416 -0.097 5 20 GBBD CCO/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006690 VKWPAGUWIICTIF-HNDWSZEFSA-N 393.400 -0.069 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401445 BTLVIIZQFXITGE-PTEHBNRSSA-N 389.372 -0.582 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 53316228 YZUOEIRTKMTBRA-UHFFFAOYSA-N 398.397 -0.576 5 20 GBBD O=C(NC[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1)[C@H]1CCCN1 261871218 ODZNFUFSIMKQIR-DZGCQCFKSA-N 391.428 -0.137 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NCCS(C)(=O)=O)c([N+](=O)[O-])c1 266235697 VMRPVAOZNLSSQA-UHFFFAOYSA-N 394.475 -0.109 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 267677132 OYIDTIDFFPQCCZ-LLVKDONJSA-N 377.357 -0.289 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 268809473 GQXWGJGQCHTUDF-HNNXBMFYSA-N 397.457 -0.015 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCNC(=O)CC2)c([N+](=O)[O-])c1 299331696 YHFFVOQJQMVCMN-UHFFFAOYSA-N 385.402 -0.607 5 20 GBBD CO[C@@H]1C[C@@H]2C(=O)N(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)N2C1 372953795 IRTPHBZAOOLQDW-ZYHUDNBSSA-N 398.397 -0.075 5 20 GBBD CS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@H](C(=O)O)C2)c([N+](=O)[O-])c1 424472789 PQDTZRGELYUTJN-NSHDSACASA-N 378.384 -0.314 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCn3ncnc3C2)c([N+](=O)[O-])c1 474841454 QHWYQWORRPLOCZ-UHFFFAOYSA-N 395.401 -0.322 5 20 GBBD CNC(=O)CN1CCC(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 513210282 LVGICBKKMAPCCN-UHFFFAOYSA-N 398.441 -0.062 5 20 GBBD O=C(C(=O)N1CC[C@@H]2CNC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 515634394 HNHJUMXTWZLJHY-KGLIPLIRSA-N 388.428 -0.294 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O 517395916 VHFQTBRDLOHHGM-TUAOUCFPSA-N 391.384 -0.437 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCO1 542877715 AATQNJSVMLTDAO-LBPRGKRZSA-N 386.386 -0.862 5 20 GBBD O=C(Cn1cnnn1)N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 589195710 GAYLXAZCKIXHJK-UHFFFAOYSA-N 389.372 -0.303 5 20 GBBD COC(=O)[C@@H]1CNCCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 592552505 ZFVZHQVPVAHFCT-ZDUSSCGKSA-N 392.368 -0.316 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN(S(C)(=O)=O)C1 593630096 JTFUCYBTOONSSG-VIFPVBQESA-N 379.416 -0.084 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)CCN(CCO)CCN2CCOCC2)cc1 612084764 PFZHFMLRWIMDLO-UHFFFAOYSA-N 387.458 -0.005 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 619778733 QRWBUVXJJJNBOU-UHFFFAOYSA-N 399.429 -0.410 5 20 GBBD O=C(O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 739808300 FMGHTHOORGPVAJ-UHFFFAOYSA-N 386.386 -0.898 5 20 GBBD Cn1cc(S(=O)(=O)NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 748486785 KVHMYGXNAVYOOL-UHFFFAOYSA-N 396.385 -0.367 5 20 GBBD CC(C)[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCC[C@@H](C(N)=O)C1 919520352 PKBZFBDZSVPBAH-PWSUYJOCSA-N 382.377 -0.522 5 20 GBBD NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356799 HFSXFGXVEHKXKC-KEODLESXSA-N 380.357 -0.344 5 20 GBBD Cn1nncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794275914 YLNAGLKJMXQQKJ-ZSBIGDGJSA-N 388.388 -0.128 5 20 GBBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c1C 265088246 LWCZTLSZNXVRAP-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 280212511 IJCWNYXIZPGKOM-HNNXBMFYSA-N 399.429 -0.220 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 280285070 WTBFPKXVRMUCAT-QWRGUYRKSA-N 386.386 -0.978 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 325133244 NVFMHMFJLIWYGP-SNVBAGLBSA-N 378.432 -0.211 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 373296686 OPGFTJGWXBFKHL-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 423718860 LVIQCAHSGPTTJI-GFCCVEGCSA-N 377.401 -0.315 5 20 GBBD C[C@@H]1CO[C@@H](CO)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 492513394 VOODNUPULRLUKH-DGCLKSJQSA-N 387.414 -0.177 5 20 GBBD O=C(CN1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 492634224 XVSFKGCROVZYND-JTQLQIEISA-N 377.313 -0.502 5 20 GBBD NC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCO1 520809937 ADMUIVGRLGDWRY-CYBMUJFWSA-N 386.430 -0.161 5 20 GBBD COC[C@@H](CCO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 533702552 YCZAKVFCRPXZAE-LLVKDONJSA-N 375.403 -0.223 5 20 GBBD COc1ccc(CNC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cc1[N+](=O)[O-] 595276235 WDGRFXCBELUPBT-PIGZYNQJSA-N 393.352 -0.221 5 20 GBBD N[C@@]12CCC[C@@H]1CN(C(=O)C(=O)N1CCN(c3ncccc3[N+](=O)[O-])CC1)C2 598732567 SIPBWTMZGBTADM-FZKQIMNGSA-N 388.428 -0.022 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)cc1[N+](=O)[O-] 599127349 CKSXENDFCONHQR-UHFFFAOYSA-N 390.443 -0.144 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(n2cc(C(N)=O)nn2)C1 619495629 HRWATWNGLAKFDB-UHFFFAOYSA-N 382.358 -0.461 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2nccnc2-c2nn[nH]n2)cc1 738366120 CYUPEEMINDTJDZ-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD Cc1c(C(=O)N(CCN(C)C)CC(=O)O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 740031335 JJOHRAVGOIJKRJ-UHFFFAOYSA-N 388.402 -0.361 5 20 GBBD NC(=O)CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1 826390880 PZBRBSJBFIIJBC-UHFFFAOYSA-N 381.374 -0.149 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](CO)O1 839212445 WZGRYBDBFFFQOI-CJNGLKHVSA-N 392.412 -0.148 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1ccc(F)c(-c2nn[nH]n2)c1 1593310592 RDMGFCDZDGWICX-TZMCWYRMSA-N 393.379 -0.419 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789391074 ZFDRAAMFKSYUBK-UHXUPSOCSA-N 393.400 -0.349 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@H]1CCOC1 1801511529 ASCVFUSQBVOCOT-KQXIARHKSA-N 379.373 -0.442 5 20 GBBD NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839352977 CJQPRWJRGRDYQD-QGZVFWFLSA-N 396.375 -0.237 5 20 GBBD COC(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848163660 QRWUZACHIASZLF-RYUDHWBXSA-N 380.361 -0.651 5 20 GBBD CN(C)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 10080687 QORHHDOFEFONJH-UHFFFAOYSA-N 399.429 -0.301 5 20 GBBD CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 27053095 ZJJULRZZRSRVEF-JTQLQIEISA-N 380.357 -0.343 5 20 GBBD O=C(CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 272951337 NYHXRVQDIXWHKM-YPMHNXCESA-N 397.409 -0.186 5 20 GBBD COC[C@@]1(C)NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 277877585 OPXMKJSSLNLTPT-CQSZACIVSA-N 386.386 -0.170 5 20 GBBD CN1C[C@@H](NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 422170770 FSOKEIRBYGIGBW-NSHDSACASA-N 399.429 -0.255 5 20 GBBD CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 440082618 WIRZABKMFKWLJR-SECBINFHSA-N 382.192 -0.258 5 20 GBBD NC(=O)c1ccc(SCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 579495520 DHXONJOILZMARN-WDEREUQCSA-N 393.425 -0.444 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 599940208 MRULDRQOSCCCQS-OLZOCXBDSA-N 398.441 -0.459 5 20 GBBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CO)[C@H](CO)C1 600215982 NBRXKKVADLGGBR-UWVGGRQHSA-N 394.413 -0.058 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 600235765 WXVQLRZMJBYRRR-CYBMUJFWSA-N 394.388 -0.127 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 786802174 VUKYKBPCEBWTQD-GFCCVEGCSA-N 379.417 -0.086 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])n2C)CC1 805760601 NJHVALJAFLAYSF-UHFFFAOYSA-N 381.389 -0.678 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 831727941 BSFBMIZXCHZEJY-KRWDZBQOSA-N 394.428 -0.123 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)O)CC1 844213691 GWCXXMRHZSIFOR-UHFFFAOYSA-N 388.402 -0.017 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CCNS(C)(=O)=O 1321246254 KEJSQMFRQLZTNK-UHFFFAOYSA-N 376.366 -0.012 5 20 GBBD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)O1 1323044108 HAWHHZRWYKCDSY-UONOGXRCSA-N 378.385 -0.037 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1779394468 DRUXTIQEVDOEPB-ZBEGNZNMSA-N 379.373 -0.202 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1837794295 MJYLSKWPEXLVJC-AWEZNQCLSA-N 389.315 -0.347 5 20 GBBD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165860 NKRKHWAQDYHDHG-UBHSHLNASA-N 390.400 -0.316 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 25033275 MYJJBPHCLSBQCX-GFCCVEGCSA-N 379.325 -0.115 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 42986544 UUMFJEJMAYAULF-UHFFFAOYSA-N 379.416 -0.131 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 50956015 WCAYVROWXJFECH-RNCFNFMXSA-N 380.357 -0.423 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1NCCS(=O)(=O)NC[C@@H]1CCCCO1 264720911 HTBABJXTFSPKRV-NSHDSACASA-N 387.418 -0.011 5 20 GBBD O=C(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 267453081 IURHYPZADWAMRV-SNVBAGLBSA-N 381.776 -0.171 5 20 GBBD CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 289603588 NVTCTLLSROSDPY-ZDUSSCGKSA-N 386.430 -0.290 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 298107365 YXTRLUNTSJBYKA-CYBMUJFWSA-N 392.368 -0.477 5 20 GBBD CNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 299200318 BVDTYAVVGHIOAP-UHFFFAOYSA-N 377.401 -0.477 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NCCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 416484984 XYYSRKOWIGNOHA-UHFFFAOYSA-N 395.415 -0.449 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCCC1=O 421997619 XQPDFCLBXBLQOM-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424441075 SMQQBBHLWPHRMS-NSHDSACASA-N 399.381 -0.140 5 20 GBBD CN(CC(=O)O)[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1O 435699679 ZUIDNWINRXRYGU-HUUCEWRRSA-N 389.368 -0.018 5 20 GBBD Cn1ccnc1C(=O)c1ccc(N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 480375456 JUGTUQSNKIKHNJ-UHFFFAOYSA-N 394.413 -0.115 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 494243472 AMJJGHQHQCGBCE-UHFFFAOYSA-N 384.370 -0.490 5 20 GBBD Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 557396578 YRGDGIHEIQZDBO-UHFFFAOYSA-N 386.430 -0.370 5 20 GBBD COc1cc(C(=O)NCCNS(=O)(=O)N(C)C)cc([N+](=O)[O-])c1OC 567745185 GVZXBVCVZOAKNB-UHFFFAOYSA-N 376.391 -0.262 5 20 GBBD C[C@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 594901017 ZOKXSNXKMKVARO-YFKPBYRVSA-N 381.374 -0.690 5 20 GBBD Cn1cc(CCC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 596919423 LCYDXFYXFMEGKV-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 598026911 HWEWCPSCCKRZIK-OCCSQVGLSA-N 399.425 -0.027 5 20 GBBD COc1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1OCC(N)=O 599219482 GRABMKSRUKIHRX-UHFFFAOYSA-N 399.385 -0.321 5 20 GBBD NC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 600679480 KSPKWRCKQZEREN-MNOVXSKESA-N 380.357 -0.105 5 20 GBBD CN(CCOCCN)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 600798755 USVWBNWRQSDCSQ-UHFFFAOYSA-N 379.417 -0.323 5 20 GBBD Cn1cc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(=O)n(C)c1=O 610109372 ZYSIXLPRFNLYSO-UHFFFAOYSA-N 382.354 -0.352 5 20 GBBD CC[S@@](=O)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 733961420 STTAGDJQELOZTB-XMMPIXPASA-N 392.459 -0.071 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 739272154 DNAYTIKCHYIXDO-JTQLQIEISA-N 387.308 -0.274 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750764992 VEJQMRKOVODQOF-UHFFFAOYSA-N 378.388 -0.780 5 20 GBBD C[S@](=O)CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 758869035 PPVZHRRZUSVWDF-QHCPKHFHSA-N 376.460 -0.257 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1[N+](=O)[O-] 777982498 HFZSPVVTYNKKMD-AOOOYVTPSA-N 387.370 -0.332 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)[C@H]1CCCOC1 780611102 DAVAFWFFXHFLPX-NSHDSACASA-N 399.381 -0.055 5 20 GBBD COC[C@@](C)(NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)O 831617819 ULVVZRGEFJMWID-CYBMUJFWSA-N 375.359 -0.230 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@H]1CCCOC1 1802073444 NYMUHPLOQLZDEH-FMSGJZPZSA-N 393.400 -0.052 5 20 GBBD C/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832800484 RGADYWJYPWOQMB-RCAFFNEUSA-N 393.400 -0.176 5 20 GBBD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCC3)C1 1844689508 BBMSKPZJPXBNQV-AWEZNQCLSA-N 389.412 -0.367 5 20 GBBD O=C(CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCCC1 198131599 UKXOXWZARMTWQX-UHFFFAOYSA-N 377.401 -0.477 5 20 GBBD CC(C)Cn1c(N)c(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c(=O)n(C)c1=O 266831917 LVYOLPALUMLUCH-UHFFFAOYSA-N 377.357 -0.262 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 276369609 OGAOQZSIUCTQHA-UHFFFAOYSA-N 393.443 -0.073 5 20 GBBD CCOC(=O)COCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 296969652 PXFILIWQBXCDPT-UHFFFAOYSA-N 389.386 -0.431 5 20 GBBD CN(CCCN1C(=O)CNC1=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421033970 XZFNVWYFCUQENA-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD CS(=O)(=O)c1cccc(N2CCS(=O)(=O)[C@H](C(=O)O)C2)c1[N+](=O)[O-] 424472794 PRELCYIZWBXTOY-JTQLQIEISA-N 378.384 -0.314 5 20 GBBD CNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 516360792 PWIZNOUYENLISH-UHFFFAOYSA-N 384.414 -0.498 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2nnnn2c1 532321436 ATCFHHGZHUYDNJ-UHFFFAOYSA-N 391.369 -0.259 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c([N+](=O)[O-])n1 533175887 YWZAPQVFNWKDJC-ISVAXAHUSA-N 386.390 -0.532 5 20 GBBD Cc1nc(CN2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)n[nH]1 541005049 IHBCYXGRRKJOSD-UHFFFAOYSA-N 381.418 -0.009 5 20 GBBD CO[C@@H]1COC[C@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 566975525 AVLHICJWOCBJJI-DGCLKSJQSA-N 388.402 -0.426 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 584440609 BPDKFEFLGKUNCL-LBPRGKRZSA-N 375.341 -0.142 5 20 GBBD CN(CC(=O)NC[C@@H](O)C(N)=O)c1cc(Br)ccc1[N+](=O)[O-] 834572896 FRMHBUOXOIXBJI-SNVBAGLBSA-N 375.179 -0.244 5 20 GBBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)Cn1ncn(C)c1=O 838935157 DMQZHGJQGBCXNR-UHFFFAOYSA-N 384.374 -0.573 5 20 GBBD COCCn1cc(C(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 861406297 YIOYNLVXXNKWOR-UHFFFAOYSA-N 399.385 -0.344 5 20 GBBD CNC(=O)CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1117064373 ZCGFUMIROTVOMW-UHFFFAOYSA-N 378.389 -0.719 5 20 GBBD O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21)N1CCOCC1 1609537886 ZQEXWCYLPSQSLC-UHFFFAOYSA-N 385.340 -0.051 5 20 GBBD CS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795789249 PYLHRVVKVCQSGJ-ILWJIGKKSA-N 385.402 -0.386 5 20 GBBD CCNC(=O)NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3468039 YDMBOHFMWCETNG-UHFFFAOYSA-N 378.297 -0.420 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)COc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 9608276 IOUPAVIGPXICFN-UHFFFAOYSA-N 392.324 -0.621 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 45813498 NYKDZBHIIVSCLB-SNVBAGLBSA-N 391.427 -0.481 5 20 GBBD COc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 60925277 NPIWZAGRWANVCV-UHFFFAOYSA-N 379.416 -0.083 5 20 GBBD Cn1cc(S(=O)(=O)NCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1 68519730 CEPLLYQDSWUCII-UHFFFAOYSA-N 383.386 -0.198 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 264559597 UOQUKHXTMAABME-LBPRGKRZSA-N 397.457 -0.011 5 20 GBBD C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 413452479 OFQDHRANYDXVGF-ZWNOBZJWSA-N 376.435 -0.412 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)NC)cc([N+](=O)[O-])c1C 480863029 FAWZQNXLCMMEFM-NSHDSACASA-N 389.386 -0.535 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 583704712 OEXFAMBQCRLWAP-STQMWFEESA-N 375.385 -0.134 5 20 GBBD CCOC(=O)C[C@H](O)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 593670611 VZBFSZRAVGKRQN-ZDUSSCGKSA-N 377.357 0.380 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598591126 TXFGHRJEZFYPMT-LLVKDONJSA-N 386.434 -0.261 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O 598668012 KGLVPIDBQNNCAO-QWHCGFSZSA-N 376.373 -0.513 5 20 GBBD CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 609938254 WWRSFLGACXNUQV-JTQLQIEISA-N 382.373 -0.267 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 854831881 DUNCRKCKIQWSOR-UHFFFAOYSA-N 391.431 -0.280 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ncn(C)n1 1323831597 HSPHJUOVNZSRLR-NSHDSACASA-N 388.388 -0.356 5 20 GBBD CCN(CCN)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1329167244 QGTCJQWJRRDNBZ-UHFFFAOYSA-N 377.401 -0.314 5 20 GBBD O=C(NC/C=C\CNC(=O)C1(Cc2cnn[nH]2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1578005435 ASSLNRKRWFQQEY-KOMGFDSOSA-N 392.416 -0.402 5 20 GBBD C[C@H]1CN(CCO)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590307645 JHRATWOYAILYOR-JTQLQIEISA-N 397.417 -0.538 5 20 GBBD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc([N+](=O)[O-])c1 1792419371 DMQNFWSYMNNOIV-YXPYIKCWSA-N 391.428 -0.987 5 20 GBBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1)C(O)O 1814709683 YZOYXKWEJSMCQP-QMMMGPOBSA-N 379.333 -0.342 5 20 GBBD CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794140 IQPZXVAKDWVLAZ-INIZCTEOSA-N 397.388 -0.576 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H](O)C1CCOCC1 280660593 APBXEGRDQJHYNY-CYBMUJFWSA-N 387.414 -0.223 5 20 GBBD C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 282107981 FPSHGSKCJRACLN-GWCFXTLKSA-N 399.429 -0.303 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 297828450 QNQWLQLAHMOQFF-KRWDZBQOSA-N 390.400 -0.638 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CCN2C1=O 361029219 ABNJLIOAJIBUQA-NSHDSACASA-N 383.386 -0.285 5 20 GBBD NS(=O)(=O)[C@@H]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 369886733 GSJHOTVSQCUUMP-SECBINFHSA-N 396.381 -0.530 5 20 GBBD CS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])C1 414347892 RHWJLSVGNAESCD-UHFFFAOYSA-N 393.399 -0.537 5 20 GBBD NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 561515556 FMHYWKXVCGARTJ-AWEZNQCLSA-N 398.441 -0.077 5 20 GBBD CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594759988 NVCOETXIHWSXHM-UWVGGRQHSA-N 378.432 -0.014 5 20 GBBD COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c([N+](=O)[O-])c1 594827092 RMFHRTMHDFDKGU-ONGXEEELSA-N 380.400 -0.306 5 20 GBBD CCS(=O)(=O)N1CCC(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599276928 GHXONJFMEKHKGR-UHFFFAOYSA-N 395.463 -0.332 5 20 GBBD O=Cc1ccc(OCC(=O)NCC(=O)NCCN2CCOCC2)c([N+](=O)[O-])c1 732158282 XLXGLHQLSNKRMJ-UHFFFAOYSA-N 394.384 -0.649 5 20 GBBD CCC1(CC)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C1=O 750766090 ZQPQWOHKBIOVBZ-UHFFFAOYSA-N 399.385 -0.095 5 20 GBBD O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)nc1 826426201 HOLMRPCSODSCIG-KBPBESRZSA-N 385.340 -0.006 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 918489252 GFXPMFMYZRRKQW-UHFFFAOYSA-N 395.390 -0.036 5 20 GBBD NS(=O)(=O)c1cc(N2CCN(C(=O)N3CCOCC3)CC2)cc([N+](=O)[O-])c1 1317898227 YHPVFTCMLWAVNG-UHFFFAOYSA-N 399.429 -0.184 5 20 GBBD COCCCOC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1347105445 PPVFHGSXFHRNMW-UHFFFAOYSA-N 383.405 -0.048 5 20 GBBD C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1589889440 IESVKZVXEJHZRS-RKDXNWHRSA-N 384.374 -0.258 5 20 GBBD O=C1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)N1 1780415972 RRFQKYNYOHASTF-SJKOYZFVSA-N 391.384 -0.355 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788814401 PDRNRGSYNXDECA-HNRZYHPDSA-N 393.400 -0.318 5 20 GBBD CN(CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1[N+](=O)[O-] 266222082 AULGTEHEMKCZFC-UHFFFAOYSA-N 389.412 -0.020 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN(C[C@H](C)O)CC2)cc1[N+](=O)[O-] 275127319 JIYIWRZMZAVOQJ-LBPRGKRZSA-N 380.401 -0.142 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O 275142430 XAFSZJHRYZRIFG-VIFPVBQESA-N 390.326 -0.022 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)nn1 284537544 DIHRZKDSPOVIKZ-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD O=C(CN1CSCC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 299293509 KIJMFMAUCMSVPL-UHFFFAOYSA-N 388.427 -0.478 5 20 GBBD O=C(N[C@H]1CCNC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 418386457 QEENBZIJGXDVBM-LBPRGKRZSA-N 383.430 -0.027 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 532736932 KMSXIFQTLFXRSF-CHWSQXEVSA-N 382.398 -0.150 5 20 GBBD Cn1cc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1=O 543816503 NOCJUEPCBXLDIG-UHFFFAOYSA-N 386.368 -0.024 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 589866783 FFOQPMGBLLTCSV-WDNDVIMCSA-N 384.414 -0.247 5 20 GBBD Cn1cnnc1N1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])CC1 593942715 XMKCMDSDNDGYFO-UHFFFAOYSA-N 396.385 -0.068 5 20 GBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@]1(OCCO)CCOC1 597999439 WVHRSKZFUJFYHS-QGZVFWFLSA-N 381.385 -0.001 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1117604419 QATQQAZZZFSNIS-NSHDSACASA-N 378.389 -0.575 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1326612495 RYZSRFIGVYLZGY-VIFPVBQESA-N 392.294 -0.813 5 20 GBBD CCOC(=O)[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1590756823 DHUAJOIQKWGUGB-SECBINFHSA-N 378.349 -0.084 5 20 GBBD CN(CCc1ccccc1[N+](=O)[O-])c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1609276434 MJEGAQAKSZYKLW-UHFFFAOYSA-N 386.372 -0.149 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C[C@@H]21)C(O)O 1783862804 BEMCSHJGLPKSDP-PRPBNIASSA-N 395.368 -0.509 5 20 GBBD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789392507 BCVCUGOLBVYVPL-OBJOEFQTSA-N 393.400 -0.348 5 20 GBBD O=C1CNC(=O)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847168869 UQECKQWWQGALGS-UWVGGRQHSA-N 391.340 -0.445 5 20 GBBD Cn1c(=O)c2c(ncn2CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C)c1=O 25397562 SXSKJELMMDZIJE-UHFFFAOYSA-N 398.335 -0.362 5 20 GBBD O=[N+]([O-])c1cc2c(N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)ncnc2s1 286680313 ZKEMUTXMFHGUOI-MNOVXSKESA-N 399.454 -0.121 5 20 GBBD Cn1cnc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 290075666 UMYBSWUSVBGXKT-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCOC[C@H](O)C2)c(C)c([N+](=O)[O-])c1 296310374 JCWXMGJLVZMDSS-LLVKDONJSA-N 381.341 -0.152 5 20 GBBD COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 365892494 DPWVLZZDENAKGD-JOYOIKCWSA-N 391.336 -0.020 5 20 GBBD Cn1c(=O)c2cc(C(=O)NCCn3cc([N+](=O)[O-])cn3)sc2n(C)c1=O 450166259 VIESNMPCQZTEBG-UHFFFAOYSA-N 378.370 -0.167 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC(=O)N1 459845874 JDCRUMPLDYKBTC-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD NC(=O)N1CC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 511098195 IAGSVIAHHHHNSR-JTQLQIEISA-N 385.402 -0.468 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)N[C@H]1CCS(=O)(=O)C1 512763346 LFURFJMQNUMXIF-QMMMGPOBSA-N 397.456 -0.372 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 540124545 LOWVSVKAOGRAPS-SNVBAGLBSA-N 375.407 -0.453 5 20 GBBD C[C@@H](CNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)S(N)(=O)=O 541949017 YDFKDZTWBJDSGR-NSHDSACASA-N 386.430 -0.173 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@]1(O)CN2CCC1CC2 570411748 RSDPXXKFYVXKTN-SFHVURJKSA-N 388.380 -0.236 5 20 GBBD COc1ccc(NC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] 595128643 IJVPLGJBGGOQQY-JOYOIKCWSA-N 387.370 -0.530 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCCN1C(=O)CNC1=O 731638110 FRJUUMLVKMGXNS-UHFFFAOYSA-N 394.340 -0.147 5 20 GBBD O=C(NCCOCCF)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1328649087 VHGDOMSFPQOFIV-UHFFFAOYSA-N 396.375 -0.019 5 20 GBBD CN(CCNC(=O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1591097554 ATNRHVCYPCUJBH-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD O=C(COCCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794276975 RCHSZIYUDQOGJZ-CLLJXQQHSA-N 381.389 -0.562 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnn1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010366 NMHZUTRVZUDTMG-DDFAGTSDSA-N 387.356 -0.375 5 20 GBBD CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843387954 FKXUELPBFZQUKA-UHFFFAOYSA-N 385.402 -0.430 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(C)(=O)=O)CC1 53316006 LQJDIBLRBWLFTJ-NSHDSACASA-N 384.414 -0.183 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 264603666 XZOUDPZOPVMOCF-LBPRGKRZSA-N 379.325 -0.324 5 20 GBBD COC[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)OC 273054873 XUZSVVXNNNRJPQ-LBPRGKRZSA-N 375.403 -0.007 5 20 GBBD NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 273638972 BNHKCKNDXPZTOQ-JTQLQIEISA-N 375.384 -0.116 5 20 GBBD CCN1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1=O 297957982 GNOIUWLEKJJMQI-UHFFFAOYSA-N 390.400 -0.671 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 298819424 VGNUBZSFADZKLY-UHFFFAOYSA-N 382.442 -0.026 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] 373970669 RULPJKXKSMALPR-OCCSQVGLSA-N 387.389 -0.039 5 20 GBBD C[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 599253825 OGFPCZHSONGVQL-WPRPVWTQSA-N 383.390 -0.466 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 819796383 GXIZAWGARCVABP-UHFFFAOYSA-N 381.374 -0.372 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 855470240 DBIGRQLMOXIBFB-ZFWWWQNUSA-N 399.425 -0.027 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)CN2CC(=O)N(C)C2=O)cc([N+](=O)[O-])c1C 860448120 JDHMOJRLNJMZRM-UHFFFAOYSA-N 384.370 -0.089 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2)c1nc[nH]c1[N+](=O)[O-] 1796403333 QPUGUDRHBGZAJW-AYMMMOKOSA-N 377.317 -0.782 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)O)n1 1800749837 UPOPCHTVMIBGMA-DYNIEEOBSA-N 394.384 -0.418 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1815817622 SBVYCEQZUOMOPT-LLVKDONJSA-N 393.360 -0.483 5 20 GBBD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1)C(=O)O 1843389133 SUJTXDXVBZIGKL-VIFPVBQESA-N 380.361 -0.802 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 10204604 GROSJADCXWVHMZ-UHFFFAOYSA-N 376.369 -0.262 5 20 GBBD Cn1c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O 172664717 KPGFQSPTDHPHIQ-UHFFFAOYSA-N 387.396 -0.050 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 273487303 OJUSESYQKUGVDD-UHFFFAOYSA-N 399.429 -0.585 5 20 GBBD CNS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 275790746 AZOQOENGERGKPI-UHFFFAOYSA-N 381.388 -0.791 5 20 GBBD C[C@H]1CCNC(=O)[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 282403025 XKKYASFXUJQCDV-GWCFXTLKSA-N 399.429 -0.303 5 20 GBBD CN(CCNC(=O)Cn1cnc([N+](=O)[O-])n1)S(=O)(=O)c1ccc(F)cc1 437511288 BTTNEEGBEXSDHV-UHFFFAOYSA-N 386.365 -0.238 5 20 GBBD COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 444436866 NIXXADDRNDIVDH-BLLLJJGKSA-N 393.352 -0.155 5 20 GBBD CN(C)C(=O)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 462043009 ACTAHZGRAXURQS-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)N1CCOCC1 520141800 BAVDBBWWYSSDSN-SNVBAGLBSA-N 390.352 -0.446 5 20 GBBD CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1O 563388379 JNHSSMGEHCDPAG-VXGBXAGGSA-N 391.388 -0.029 5 20 GBBD COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599266214 SNHYIYRFSXLDLB-JTQLQIEISA-N 377.423 -0.216 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(CCO)CCN1CCOCC1 610927471 WMFGJQPKISHBTC-CQSZACIVSA-N 394.428 -0.134 5 20 GBBD CCOC(=O)c1ccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)nc1 761017555 NOPQNTWHIDUJRZ-UHFFFAOYSA-N 383.342 -0.132 5 20 GBBD C[C@@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 781667397 CAADAJJWEXYENF-RKDXNWHRSA-N 386.386 -0.237 5 20 GBBD COCCCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 801438292 CGWMYYAKUUNZAY-UHFFFAOYSA-N 375.359 -0.448 5 20 GBBD CC1(C)NC(=O)N(CCCC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 847894088 XIUGNCLZSNBORK-UHFFFAOYSA-N 399.385 -0.095 5 20 GBBD NC[C@H]1CC(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)=NO1 852801990 AJZHEFPNEBVOJM-GFCCVEGCSA-N 397.413 -0.469 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795528336 HDNYDMZCQOVYHE-DPIQGUFMSA-N 391.428 -0.177 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC 45410889 DACRZTQAMVPVHP-LBPRGKRZSA-N 380.357 -0.095 5 20 GBBD N[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 261984313 MIQNMUVYLUXSON-CQSZACIVSA-N 386.430 -0.257 5 20 GBBD CCOc1ccc(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 268956319 VMELWUAFQICJFI-LLVKDONJSA-N 391.384 -0.425 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@]1(O)CCSC1 270862857 RLTGEBLIPBCACZ-ZDUSSCGKSA-N 375.428 -0.143 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)CN(C)C 276444373 YOOYQCBIPXSPQT-CQSZACIVSA-N 375.403 -0.028 5 20 GBBD COC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280130438 DAWVYWSCERYYOS-SNVBAGLBSA-N 376.391 -0.820 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CNc1ccccc1[N+](=O)[O-] 299294412 MGNRBVGJCRCBOW-LLVKDONJSA-N 384.414 -0.232 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncn(C)n1 421120412 YNSVYTGYQLZTAX-UHFFFAOYSA-N 383.390 0.166 5 20 GBBD O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)N1CCS(=O)(=O)CC1)CC2 447171997 NIUFHQHNNWEQDI-UHFFFAOYSA-N 375.428 -0.072 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 532736933 KMSXIFQTLFXRSF-OLZOCXBDSA-N 382.398 -0.150 5 20 GBBD CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCO1 599384232 JDPHGBJBMPFOGZ-LLVKDONJSA-N 388.402 -0.078 5 20 GBBD CSCC[C@H](NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(N)=O 600259801 IQPGNGCSZCZKMO-NSHDSACASA-N 380.382 -0.086 5 20 GBBD CCn1cc(S(=O)(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 611105982 QATCQPOIYLXVJB-SNVBAGLBSA-N 395.463 -0.096 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 741622713 SGEXVIOVNLBXKL-UHFFFAOYSA-N 383.386 -0.034 5 20 GBBD NS(=O)(=O)c1c(NCCS(=O)(=O)N2CCOCC2)cccc1[N+](=O)[O-] 748083619 VTPRSVJDJSMROA-UHFFFAOYSA-N 394.431 -0.684 5 20 GBBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)NC(=O)N[C@H]1CCS(=O)(=O)C1 778123553 VBFNEKCYKKGUKI-NSHDSACASA-N 399.381 -0.307 5 20 GBBD O=C(CO[C@@H]1CCCNC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 843405196 NPWLAKVHYDMECX-CYBMUJFWSA-N 386.430 -0.242 5 20 GBBD CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1117604741 TYWWKBCUAYUJEU-GFCCVEGCSA-N 380.405 -0.328 5 20 GBBD C[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1781990418 WBEDGEQXIRSLAM-GLKRBJQHSA-N 381.389 -0.174 5 20 GBBD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])c1 1796401884 QDFNUXJOBMDUQH-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD O=C(C(O)O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCC3)C1 1844689028 XSPIBKJICUCVDS-UHFFFAOYSA-N 377.353 -0.343 5 20 GBBD COC(=O)[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)O 274391247 VNFKEBUVJPZXDL-MADCSZMMSA-N 376.343 -0.433 5 20 GBBD O=C(c1cccc([N+](=O)[O-])c1O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 274649674 DHDMWUQPPFTYKW-QWHCGFSZSA-N 385.398 -0.784 5 20 GBBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCN1CCCS1(=O)=O 299425896 HNAJBAUZNRWAGB-UHFFFAOYSA-N 384.370 -0.346 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)CC1 326305771 IYDVYYLXKQZCMC-UHFFFAOYSA-N 378.384 -0.200 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1N 423366251 CJPVSAKGUDNTSJ-DOMZBBRYSA-N 389.412 -0.315 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@](C)(O)CN1CCOCC1 443258533 WGDSYBHUQWOEAP-OAHLLOKOSA-N 389.430 -0.035 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 512554826 JHJVFDBKCAMTSJ-UHFFFAOYSA-N 392.368 -0.363 5 20 GBBD Cn1cnnc1COCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 550864160 WWOBGXYUEIJXIO-UHFFFAOYSA-N 398.401 -0.665 5 20 GBBD CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 554580770 TVPKNCBKWNSJGM-ZDUSSCGKSA-N 390.400 -0.625 5 20 GBBD O=C(O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCS1(=O)=O 569474243 NLTVJWSPFSCZFL-LLVKDONJSA-N 386.338 -0.310 5 20 GBBD O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 578997499 GWTCCOKJJGYPPP-IXDBCEGASA-N 375.385 -0.451 5 20 GBBD Cc1nn(CCC(=O)NCC(=O)NCCN2CCOCC2)c(C)c1[N+](=O)[O-] 609532235 IUYBYFQMOJRJFT-UHFFFAOYSA-N 382.421 -0.637 5 20 GBBD O=C1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCCN1 726787212 MTFFAZFBATYIPY-UHFFFAOYSA-N 384.414 -0.058 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 784518756 TUHUJNJCXFIQQK-UHFFFAOYSA-N 387.356 -0.132 5 20 GBBD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCCn1cc([N+](=O)[O-])cn1 786491427 RRVMDNMDUCOJGP-OXHZDVMGSA-N 378.341 -0.113 5 20 GBBD O=C(C(=O)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 825278478 CVFMYPMFDORJJG-HNNXBMFYSA-N 390.396 -0.079 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] 845072890 RXCIXQICENEFQM-VIFPVBQESA-N 386.386 -0.263 5 20 GBBD COC(=O)CNC(=O)[C@H](C)OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 924690639 SHNGTQLHABYUNV-QMMMGPOBSA-N 381.297 -0.276 5 20 GBBD C[S@@](=O)CCNC(=O)c1cc(C(=O)NCC[S@@](C)=O)cc([N+](=O)[O-])c1 1320232530 MNTNPZBUQOHDJO-JWQCQUIFSA-N 389.455 -0.189 5 20 GBBD C[S@@](=O)C1(CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 1324136680 PQTHVMCUBTYCMF-AREMUKBSSA-N 383.430 -0.018 5 20 GBBD COC[C@@]1(CO)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C1 1591388320 CKVKAKCCCHJXNY-AWEZNQCLSA-N 398.401 -0.206 5 20 GBBD O=C(O)CS(=O)(=O)CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1595124076 JORLSLBCXBYUKL-UHFFFAOYSA-N 385.398 -0.148 5 20 GBBD O=C(c1cnsn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383059 KHTOJGKAJJSJOZ-CQSZACIVSA-N 393.385 -0.073 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@@H]1CCOC1 1801511528 ASCVFUSQBVOCOT-HNCHTBHHSA-N 379.373 -0.442 5 20 GBBD COC[C@@H](N)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 263252868 POBCOFSKJOVZRF-GFCCVEGCSA-N 386.430 -0.379 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 267212449 MZHNVQBODOVZCN-UHFFFAOYSA-N 395.441 -0.018 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 269163141 ZBYGIMPQFHOTNA-UHFFFAOYSA-N 378.385 -0.083 5 20 GBBD Nc1c(C(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)cc(F)cc1[N+](=O)[O-] 273385488 RQSPJVBTHYBPKJ-UHFFFAOYSA-N 399.364 -0.419 5 20 GBBD NS(=O)(=O)c1cnn(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 276473701 KHHUHAYTAWJJEZ-UHFFFAOYSA-N 381.370 -0.272 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298839622 GQRPSKTUTYIBAH-UHFFFAOYSA-N 382.398 -0.294 5 20 GBBD O=C(C1=NN(CCO)C(=O)CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 367234095 JZXHKXUAFZHLOK-LLVKDONJSA-N 376.373 -0.027 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] 371699691 JDGOVZXVFCJQQZ-LBPRGKRZSA-N 391.344 -0.554 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)NC(=O)NC1CC1 421001214 DENCDNDXXIHBNL-UHFFFAOYSA-N 399.429 -0.207 5 20 GBBD C[C@@]1(C(=O)O)CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 422929693 RCWWCYCHUPWFJW-QGZVFWFLSA-N 391.384 -0.038 5 20 GBBD COC[C@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCNC1 423206738 CUDYGIAABXKYGR-HNNXBMFYSA-N 386.430 -0.385 5 20 GBBD CCOC(=O)CNC(=O)C1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 435179565 ZVRUCDWUJYHGSO-UHFFFAOYSA-N 396.404 -0.108 5 20 GBBD C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 436959879 FEZWZPKOZBCDHU-ZJUUUORDSA-N 385.398 -0.030 5 20 GBBD CN1C[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 450619533 XKCDNQQTUQKMSK-QWHCGFSZSA-N 397.413 -0.791 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[S@](=O)C1 475133082 YDWSKLTZTLPRGU-ZZDSUILFSA-N 390.443 -0.307 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 502823823 CCNIKMXXIBPUGM-VIFPVBQESA-N 389.372 -0.383 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 505975492 FADZVAHFEPWMEI-ZDUSSCGKSA-N 382.421 -0.523 5 20 GBBD COc1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 507943248 ZTHZMSSFOZHDDB-GJZGRUSLSA-N 385.442 -0.121 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])n1 533631825 BJONGMLYULIIDO-JTQLQIEISA-N 395.463 -0.239 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] 550144598 UVQCNPCLRNTHFL-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD COC(=O)CNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 550822423 ZTENWMZTRWANJX-UHFFFAOYSA-N 382.354 -0.290 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 609531303 OJDAXYIOFZESDK-HNNXBMFYSA-N 378.433 -0.244 5 20 GBBD Cn1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 609947278 QFCODJSXSPDTPQ-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD CN(CCN1CCCS1(=O)=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 610587860 KQCCOCRUAFPVPW-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 735404207 HTOBHQKNYSAOCB-UHFFFAOYSA-N 379.354 -0.418 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2C(=O)OC[C@H]2C1 764136783 VRCRPMPIYZINKG-LLVKDONJSA-N 376.325 -0.017 5 20 GBBD C[C@@]1([C@@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)NC(=O)NC1=O 820612820 KECWECCOVLVDAB-GLEZIHRCSA-N 387.360 -0.016 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1779378828 ROIZPCQTZFFWLZ-PRDDCLIZSA-N 379.373 -0.468 5 20 GBBD CO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787479790 CUTKYAKJIFFHFP-BJDJZHNGSA-N 381.389 -0.054 5 20 GBBD CN1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1794279798 NMRFJFPZUSENDW-BTTYYORXSA-N 376.417 -0.009 5 20 GBBD NC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1 1819656814 XOTDPKSYYVVNPD-WPRPVWTQSA-N 391.392 -0.367 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 275671787 HHVMJMNTKHOKBQ-UHFFFAOYSA-N 380.357 -0.141 5 20 GBBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 276182157 AUWQENTVLPRFSH-RDTXWAMCSA-N 390.396 -0.043 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@]1(C(=O)OC)CCOC1 276280481 XPMGVOJHCBWXLQ-AWEZNQCLSA-N 388.354 -0.008 5 20 GBBD CNS(=O)(=O)NC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 281051030 QUJJTGBPNXQPNL-AWEZNQCLSA-N 388.446 -0.147 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-] 281233751 VVJQIFUVTGPQCO-UHFFFAOYSA-N 379.417 -0.303 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 283363569 DICDSMDIMYHDNL-UHFFFAOYSA-N 383.380 -0.164 5 20 GBBD COc1cc(CCNC(=O)C(=O)N(C)CCOCCO)c([N+](=O)[O-])cc1OC 284322491 MEGILVAFCNFGNH-UHFFFAOYSA-N 399.400 -0.262 5 20 GBBD CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])[nH]n1)C(=O)NCCN1CCOCC1 285876214 JFIMSUDZSOYTGE-FZMZJTMJSA-N 382.421 -0.089 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC(C(N)=O)=NO1 289737438 TXZWYMYBCYOKGX-VIFPVBQESA-N 387.374 -0.181 5 20 GBBD CNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 298792070 SLSFDNGGLLNXEE-LBPRGKRZSA-N 377.401 -0.397 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 369861242 IUZZWZAMHNBOEW-NSHDSACASA-N 399.429 -0.207 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1)c1cccc([N+](=O)[O-])c1 424513489 CYIXTSNDYRRZDF-JOYOIKCWSA-N 399.381 -0.518 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 441004202 XARCOHSDODNRSL-CQSZACIVSA-N 380.401 -0.007 5 20 GBBD CCOC(=O)c1cc(C(=O)N2CC(=O)NC[C@H]2C(=O)OC)cc([N+](=O)[O-])c1 468649047 SKYROLFPZZKYAL-LBPRGKRZSA-N 379.325 -0.115 5 20 GBBD COCCOCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 551461222 KTRZSTLHTINUJO-UHFFFAOYSA-N 381.389 -0.582 5 20 GBBD Cn1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 565212076 FOMPOAFWSVEYJW-CHWSQXEVSA-N 380.382 -0.117 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 591572973 HHBMYKPQBUFSBX-JSGCOSHPSA-N 392.416 -0.787 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 594876072 BYXHXQYUFSIVGD-ZLKJLUDKSA-N 375.385 -0.517 5 20 GBBD COC(=O)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 599476341 PNHOXMDTIREWHL-UHFFFAOYSA-N 389.386 -0.049 5 20 GBBD COc1ccc(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 619752053 ZFZGLKYNZHOKEB-UHFFFAOYSA-N 379.416 -0.038 5 20 GBBD O=C(O)C[C@H]1C(=O)NCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 739635505 SKDHYXWGGMSPBF-JTQLQIEISA-N 380.313 -0.463 5 20 GBBD O=C1NC[C@H]2CN(c3c(C(=O)O)cc([N+](=O)[O-])cc3[N+](=O)[O-])CCN2C1=O 833358429 SIVQTERKEGNLPR-QMMMGPOBSA-N 379.285 -0.652 5 20 GBBD CCON(C)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 846505461 YQEDKGLRRURFOM-UHFFFAOYSA-N 388.402 -0.211 5 20 GBBD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 847893605 QJCPFZLSQUPCLC-AWEZNQCLSA-N 397.369 -0.485 5 20 GBBD COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1327809506 CKHALRNLICPUFN-TXEJJXNPSA-N 391.384 -0.294 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591023500 QEKNHUUYQMVEIG-UHFFFAOYSA-N 383.394 -0.902 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)C2CCOCC2)c1-c1nn[nH]n1 1593484441 ZMCFIQDFZGRICF-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD O=C(O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 1602404519 NVYMPXPMOKYFID-UHFFFAOYSA-N 377.357 -0.041 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788812791 RIHASLCDKVZUTE-QXEWZRGKSA-N 390.360 -0.657 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CN)n1 1796778893 KKIDTKXVNPZDCS-USZNOCQGSA-N 392.416 -0.464 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 266864054 YBTCSLZXKYTZIB-UHFFFAOYSA-N 392.459 -0.502 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 271087234 HEBPRVCCQCRLPR-KGLIPLIRSA-N 384.414 -0.098 5 20 GBBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCOCCS(N)(=O)=O)c1C 288969019 QNHDPXQCRKINNF-UHFFFAOYSA-N 381.432 -0.205 5 20 GBBD O=C(N[C@H]1CCCNC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419843177 MHNRBTSRWIJTEP-NSHDSACASA-N 395.441 -0.191 5 20 GBBD COC[C@@H](C(N)=O)N(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 500267849 UDXANHAPFCAZKB-LBPRGKRZSA-N 388.402 -0.778 5 20 GBBD Cn1cc(CCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 597261566 LCPQVQMPFLWEOH-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC 619473802 OXAJQUHSIPCZCM-SNVBAGLBSA-N 387.370 -0.344 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1cn(CC(=O)N(C)C)nn1 750399415 VXESERZEKYUZFY-UHFFFAOYSA-N 396.385 -0.298 5 20 GBBD Cn1c(=O)c2nc(COC(=O)COc3cccc([N+](=O)[O-])c3)[nH]c2n(C)c1=O 785154857 LUEAVQVGXWGTGQ-UHFFFAOYSA-N 389.324 -0.009 5 20 GBBD CC1(C)NC(=O)N(CCCC(=O)NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 851326588 ADCZXMCDQRQGNY-UHFFFAOYSA-N 399.385 -0.095 5 20 GBBD Cn1c(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)ccc1[N+](=O)[O-] 854833029 CCLJWTAHBRSSMH-UHFFFAOYSA-N 393.447 -0.337 5 20 GBBD COCCN1[C@@H](C)CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C 1261471111 KHVLPIKYDRIFCC-BETUJISGSA-N 382.421 -0.525 5 20 GBBD Cc1c(CNC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cccc1[N+](=O)[O-] 1325212332 CRIIDJHJRQFFOK-UHFFFAOYSA-N 378.385 -0.163 5 20 GBBD Cc1c(C(=O)N2CC(N3CCN(C)CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 1347758429 ULYVMZGQMRKGIV-UHFFFAOYSA-N 397.457 -0.378 5 20 GBBD O=C(c1cnc(O)[nH]1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779643497 OLECBJZISBNUJK-OAHLLOKOSA-N 391.344 -0.496 5 20 GBBD COCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786632014 ONFXDPWXMNTQQK-QEJZJMRPSA-N 395.416 -0.193 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800530812 JVRHLGGWQVYRPO-IXLVHKGHSA-N 394.388 -0.954 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1836508035 HNJMKGBSZIFSLF-OAHLLOKOSA-N 397.363 -0.110 5 20 GBBD Cn1cnc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 69115374 FYQOZYBQMHUPQF-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] 275262726 PBGTVZRGZDHBNR-LLVKDONJSA-N 388.358 -0.352 5 20 GBBD COc1cc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] 278695453 JMWWCFMEUMNIIL-AWEZNQCLSA-N 384.370 -0.034 5 20 GBBD COC(=O)c1cn(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)nn1 284590186 HRVGXJHDGVKKNU-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD O=C([C@@H]1COCCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298385652 BIGOQHXSIDBASO-ZDUSSCGKSA-N 385.398 -0.157 5 20 GBBD CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 422094761 GABYMFXNVGMVLJ-CQSZACIVSA-N 389.412 -0.020 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCn1ncnn1 473194418 JQRNKQLQAGDETK-UHFFFAOYSA-N 383.390 -0.286 5 20 GBBD COc1c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] 475460245 QNHVFFMEFBQJIL-GXTWGEPZSA-N 399.425 -0.169 5 20 GBBD CCS(=O)(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 498897926 NQUZLLSLSADCIO-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD CN(CC(=O)N1CCC(O)(CN)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 518977366 NTTNRLSUQPRVQM-UHFFFAOYSA-N 386.430 -0.473 5 20 GBBD O=C(NC[C@@H]1COCCO1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 560247588 WAFODZBUGKNJMQ-CYBMUJFWSA-N 378.385 -0.225 5 20 GBBD CC(=O)NCCN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 567381036 HPINSJGXHHVYMZ-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccnc(N)c1[N+](=O)[O-] 571818537 HNSOGUZDWHBQQZ-DBIOUOCHSA-N 378.341 0.137 5 20 GBBD COC(=O)[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599456480 MBCIAFQDVYZYDL-NXEZZACHSA-N 376.391 -0.035 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 1324575684 IKEVTLBFIXMASY-GJZGRUSLSA-N 394.432 -0.333 5 20 GBBD C[C@H](O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCO1 1589996054 PQOAHTYCDZRLPN-GZMMTYOYSA-N 384.374 -0.455 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(CC(=O)O)cc1[N+](=O)[O-] 1606080725 NEDGRIUSGGRECV-NSHDSACASA-N 385.398 -0.039 5 20 GBBD O=C1COC[C@@]2(CNc3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])COCCN12 1607047831 LSVPYHIWGNCGQQ-OAHLLOKOSA-N 375.345 -0.185 5 20 GBBD C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419544 DJQSGVKWNYOIIM-BZNIZROVSA-N 379.373 -0.499 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419745 SUNGCMUTTLWKLY-GTNSWQLSSA-N 393.400 -0.109 5 20 GBBD C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1781246663 AWYJHFOLMAZGCB-MEDUHNTESA-N 379.373 -0.499 5 20 GBBD CN[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)O 1848162561 ZLNJIKSRXLCHED-AVGNSLFASA-N 394.388 -0.944 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 108415573 APLXNDSRVSPHQN-UHFFFAOYSA-N 396.425 -0.153 5 20 GBBD NS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 273337146 NBODRZHUILPWCJ-UHFFFAOYSA-N 378.432 -0.810 5 20 GBBD COC(=O)C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OC 298112044 PWGBBWROMYERKN-SECBINFHSA-N 393.308 -0.588 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)CN2CCOCC2)CC1 299150549 XZYIFGWZBCWKOT-UHFFFAOYSA-N 380.405 -0.816 5 20 GBBD Cn1cnc(CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 446497815 NHUDWMKHLSOMTO-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD CNc1nc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1[N+](=O)[O-] 455678932 GDCDUORYVFXXAN-UHFFFAOYSA-N 389.372 0.339 5 20 GBBD CCNC(=O)NCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 484630362 ODXBKGONBMBHHI-UHFFFAOYSA-N 387.418 -0.302 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(O)CCSC1 498162744 PEBAXTYPULXAJG-CYBMUJFWSA-N 375.428 -0.143 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 509372911 OKKJQNFJNUOWBP-UHFFFAOYSA-N 399.473 -0.090 5 20 GBBD O=C(NC[C@@H]1CS(=O)(=O)CCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 509643236 MXASTAWSMYDKMV-GFCCVEGCSA-N 381.370 -0.281 5 20 GBBD COC(=O)COc1ccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 518217763 WOMDWAHBEACSNA-QWHCGFSZSA-N 378.385 -0.110 5 20 GBBD Cc1c(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cccc1-n1cnnn1 532274555 QCDJEORXIDKBLO-UHFFFAOYSA-N 385.344 -0.170 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 756450762 DOSITXYEBFJXIO-UHFFFAOYSA-N 397.369 -0.212 5 20 GBBD CNC(=O)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 757693381 MWWJDHROTJLNGJ-LBPRGKRZSA-N 388.402 -0.866 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)C1(n2cnnn2)CCOCC1 850981122 KWEAHJKTDGZJCK-UHFFFAOYSA-N 396.385 -0.099 5 20 GBBD COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 1117978907 MVPSIDNRYKZIBB-UHFFFAOYSA-N 391.384 -0.190 5 20 GBBD COC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O 1598733332 PMVDEZQQTGAHMG-JYILRKAJSA-N 379.325 -0.380 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@H]3COC[C@@H](C2)O3)c1-c1nn[nH]n1 1609603057 XHGJTPIXJVWFNN-DTORHVGOSA-N 382.358 -0.437 5 20 GBBD O=C(O)COc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 1610787180 XTYGKAONSLJNAJ-NSHDSACASA-N 378.341 -0.799 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1781983406 MKOUJDCIGFMFAP-KRWDZBQOSA-N 397.359 -0.203 5 20 GBBD COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798011127 QZWGXAVBLGEYEY-WDAIWFPHSA-N 395.372 -0.526 5 20 GBBD COc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NC2CC2)cc1[N+](=O)[O-] 24801345 GSOFUMUGPPPHGN-UHFFFAOYSA-N 394.340 -0.135 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)NCCC(=O)N1CCN(c2ncccn2)CC1 263792846 IZQBGDXQXQFINJ-UHFFFAOYSA-N 388.388 -0.564 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 265447065 BSJPLEBJUMGGAI-CYBMUJFWSA-N 380.405 -0.769 5 20 GBBD Cn1ncc2c(=O)n(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nnc21 267854793 BKMVLYNPTQHCIZ-UHFFFAOYSA-N 398.383 -0.218 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 411674395 NWZYIFBEOQVLAW-GFCCVEGCSA-N 380.357 -0.095 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCC(=O)N2CCCC2)c([N+](=O)[O-])c1 502608866 CSUMZHXBPUGBCW-UHFFFAOYSA-N 399.429 -0.217 5 20 GBBD NS(=O)(=O)CC[C@@H]1NC(=O)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C1=O 573935678 MTCFHULZGPIHHN-JTQLQIEISA-N 378.313 -0.028 5 20 GBBD Cn1nccc1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 576854040 QZIPNYLMZCHIKU-UHFFFAOYSA-N 381.370 -0.143 5 20 GBBD NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 580081128 DMRMBMORUCLVQM-SNVBAGLBSA-N 375.384 -0.116 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] 580215558 LWYASZWRADEVLC-QWHCGFSZSA-N 375.385 -0.710 5 20 GBBD C[S@@](=O)CCN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 741749873 RQNNINRZVZMQRV-HSZRJFAPSA-N 376.460 -0.257 5 20 GBBD CN(C)c1c(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(=O)n(C)c(=O)n1C 814062677 VWCVJLVVUVZFAT-UHFFFAOYSA-N 394.388 -0.267 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1 1116498490 TYQUBKARLMQKJO-HNNXBMFYSA-N 387.462 -0.653 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)CC(=O)N1CCOCC1 1117620107 RUIVXYOMVCKJOP-UHFFFAOYSA-N 394.384 -0.463 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 1118767587 VEYSVFLVEPGFAA-CQSZACIVSA-N 389.412 -0.020 5 20 GBBD C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261165351 PPMJKXZEVLEPBI-LBPRGKRZSA-N 382.421 -0.789 5 20 GBBD N=C(N)SCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378596 FBWGTZZNCWVQPJ-CQSZACIVSA-N 397.417 -0.612 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1cc(O)n[nH]1 1795691916 JXGOYLKRWXOHHF-ICCCGROCSA-N 390.356 -0.131 5 20 GBBD Cc1oc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1S(N)(=O)=O 269290790 DBHYKDJCPKTDEA-RISCZKNCSA-N 399.381 -0.032 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)OC 273498163 HSIIWFGHCNYSPZ-LLVKDONJSA-N 388.354 -0.056 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 281209892 QDPMCESQIITRGG-UHFFFAOYSA-N 378.432 -0.198 5 20 GBBD CN(CC(=O)N1CCN2C(=O)OC[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 363816809 HVOFHIOCAPHXQN-LBPRGKRZSA-N 398.397 -0.122 5 20 GBBD O=C(C(=O)N1C[C@@H](CO)[C@@H](O)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 459844394 HAGZINCOTQQMJJ-WFASDCNBSA-N 378.385 -0.945 5 20 GBBD CCOC(=O)[C@@](C)(O)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 478596526 AJEVWMAYTYYFRA-INIZCTEOSA-N 382.373 -0.176 5 20 GBBD CCn1cnnc1CN=c1[nH]c(C)c([N+](=O)[O-])c(=NCc2nncn2CC)[nH]1 489364750 REMJKXIROPQZHR-UHFFFAOYSA-N 387.408 -0.016 5 20 GBBD C[C@H](O)C(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 497548977 LXRXWDHIBNQZAB-NSHDSACASA-N 386.430 -0.126 5 20 GBBD NC(=O)N1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 511097235 DDQMZQNMOIDHOY-JTQLQIEISA-N 385.402 -0.468 5 20 GBBD C[C@H](NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)C(=O)N1CCOCC1 545544624 OYPQEUKLDHIZEF-VIFPVBQESA-N 387.370 -0.181 5 20 GBBD Nc1nccc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1[N+](=O)[O-] 564098277 KUNIQAROMAZQHO-UHFFFAOYSA-N 396.385 -0.152 5 20 GBBD CN(Cc1cn(C)nn1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 596201881 KJXYBEGUJJZDKU-UHFFFAOYSA-N 397.417 -0.157 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 614817584 QEFXWEWGNNHCNH-SECBINFHSA-N 378.432 -0.240 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 755572187 ACDVFRCFZXYWOC-UHFFFAOYSA-N 391.344 -0.585 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2cccc(-n3cnnn3)c2)n1 780291436 CNJNSRRDWYWZRJ-UHFFFAOYSA-N 378.330 -0.577 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O 1325802260 IISIABGCODHVNX-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 1326572277 OLYKLMMRCBQYBU-ZDUSSCGKSA-N 385.398 -0.265 5 20 GBBD C[C@@H](O)C[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1589996994 LNCIULRCBAZUII-ZJUUUORDSA-N 398.401 -0.065 5 20 GBBD O=C1CCCN1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1593392022 CQZHWQBJWGEPAD-UHFFFAOYSA-N 381.374 -0.324 5 20 GBBD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 1845918864 XCCHORULNVLOJJ-AWEZNQCLSA-N 379.392 -0.234 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 52362217 BCAYATUTCZHARH-UHFFFAOYSA-N 396.425 -0.075 5 20 GBBD Cn1cc(S(=O)(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C(N)=O 269685087 HETSTMANOBPGSW-TZMCWYRMSA-N 398.397 -0.595 5 20 GBBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 274674025 KMCJMUQOMNALHO-CVEARBPZSA-N 397.453 -0.171 5 20 GBBD CC(C)NS(=O)(=O)NCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 277283456 YYNPIOHOGOXDHU-UHFFFAOYSA-N 388.402 -0.072 5 20 GBBD C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 292099079 MBYKDAKLLYHIJL-LOWVWBTDSA-N 387.414 -0.442 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O 299631396 IUZIVRMLCWNARE-BTDLBPIBSA-N 389.368 -0.134 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 368983520 JPLSDHXPLJVXIK-JSGCOSHPSA-N 399.425 -0.412 5 20 GBBD Cc1c(C(=O)N2CCN(CCO)[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 428519659 PSCVRWQGWNPZAP-SNVBAGLBSA-N 386.430 -0.311 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 501203101 HPDGYFKESIVIMJ-JTQLQIEISA-N 375.407 -0.453 5 20 GBBD Cn1cnc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 555950542 QNHCFHUOGGAAAS-UHFFFAOYSA-N 387.356 -0.354 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 565672187 UOZFIALILQPVJT-WDEREUQCSA-N 377.357 -0.688 5 20 GBBD C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]1CO 577705830 NIIBUDLEYFDFHQ-GXTWGEPZSA-N 377.401 -0.132 5 20 GBBD C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 599253824 OGFPCZHSONGVQL-WCBMZHEXSA-N 383.390 -0.466 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1C[C@H](C(=O)O)CC1=O 619470694 FRMLEJYMGGASQQ-SECBINFHSA-N 387.370 -0.185 5 20 GBBD CON(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 817794721 YSAZPJWGKHSAQZ-UHFFFAOYSA-N 389.390 -0.808 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCN(c2sccc2C(=O)O)C1=O 833122900 WFQOPUMOIIRWLF-MRVPVSSYSA-N 380.342 -0.132 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(CN2CCOCC2)CC1 1117566176 XOFFQAMRMNOWGE-UHFFFAOYSA-N 394.432 -0.522 5 20 GBBD CN(CC(F)F)C(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1257463465 AUSXNNJZUMCDTG-UHFFFAOYSA-N 394.356 -0.287 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)C1CC(O)C1 1783998793 JDKUJWSWQYMJJJ-ZXOGFUGESA-N 393.400 -0.318 5 20 GBBD C[C@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477054 DQWIOLOHAFRLJQ-RHYQMDGZSA-N 380.405 -0.494 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ccncn1 1796520447 SRGOEYSNGFOWCL-DDFAGTSDSA-N 387.356 -0.375 5 20 GBBD CCS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 69411108 YIMZAKWUGOGXTP-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)ccc21 269151845 QUCHYMDNKBCHHR-UHFFFAOYSA-N 387.356 -0.263 5 20 GBBD O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(O)c([N+](=O)[O-])c1 273407085 HVVVZDNAIFGNSO-ZDUSSCGKSA-N 378.385 -0.037 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1 297828145 KWZOSIGGKBOMKF-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 471326019 GASBQAZPVXKBMC-QWRGUYRKSA-N 375.428 -0.428 5 20 GBBD C[C@@](O)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CN1CCOCC1 472635700 LPTGJJNVGSAMKQ-MRXNPFEDSA-N 384.364 -0.128 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC(NS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 600549217 RJDBTHZXMVBWPZ-UHFFFAOYSA-N 399.429 -0.583 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C 619876834 XUDXZMWMBBPWTC-NSHDSACASA-N 383.361 -0.994 5 20 GBBD O=C(Cn1nnc2ccccc2c1=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750765166 WHYXFVOQUZJNKY-UHFFFAOYSA-N 390.337 -0.400 5 20 GBBD CN1CC[C@@H](C(=O)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)S1(=O)=O 842737091 NDSDMOGIOSPXPZ-LBPRGKRZSA-N 391.427 -0.383 5 20 GBBD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1319592250 SYDDEDDHZGTPMN-GFCCVEGCSA-N 377.401 -0.432 5 20 GBBD CCC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1576452151 ZQTSWHJWUWVMHY-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD O=C(c1cnc[nH]1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382946 IIGDDBMMGPROQV-HNNXBMFYSA-N 375.345 -0.202 5 20 GBBD COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1784261090 UXUPCTCUTQETJI-OAHLLOKOSA-N 396.360 -0.883 5 20 GBBD COC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403338 IDUKVUAPXNZSMB-WISYIIOYSA-N 381.389 -0.196 5 20 GBBD Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](N)CN)C3)ncc1[N+](=O)[O-] 1797071060 NAHCOLAZPTXTDH-RNJOBUHISA-N 376.417 -0.164 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 265647078 XFOPPHALLIBSFB-UHFFFAOYSA-N 392.459 -0.502 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCCN1CC2 372351048 QBTRPKLZFKDOJY-HNNXBMFYSA-N 397.457 -0.621 5 20 GBBD CC1=NNC(=O)[C@@H]1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 523693895 HFJHAQYSWZGZBC-CYBMUJFWSA-N 397.413 -0.109 5 20 GBBD NC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 532103597 XPNABMNQFHIRDV-LLVKDONJSA-N 379.373 -0.578 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@H]1C(N)=O 577625219 BRERXNCVSFGBFF-OLZOCXBDSA-N 384.414 -0.157 5 20 GBBD Nc1n[nH]c(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1 590567449 FUMPUTBGQRAMMS-UHFFFAOYSA-N 397.417 -0.029 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1116501430 DURAOHZONPVPCV-UHFFFAOYSA-N 398.441 -0.522 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1323649076 IVZRLVWJJFVGQT-CYBMUJFWSA-N 398.441 -0.206 5 20 GBBD COC1(CO)CCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 1329144360 UDOXZPWWIIEUHQ-UHFFFAOYSA-N 395.416 -0.045 5 20 GBBD NC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827646626 WKFNIXKBGOGJHB-QWHCGFSZSA-N 393.448 -0.163 5 20 GBBD N=C(N)SCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1842863217 DIWOOTGVNCWSTM-UHFFFAOYSA-N 381.418 -0.379 5 20 GBBD CN1CC(C(=O)N2CC3(CCCN3C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1845825660 ZYPKXXMXWGSISV-UHFFFAOYSA-N 389.412 -0.479 5 20 GBBD C[C@H](C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)n1cnnn1 1846646604 YDJWTHTXWBEXRM-SECBINFHSA-N 375.349 -0.617 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 10204595 BYFIQDJITZPQML-UHFFFAOYSA-N 376.369 -0.262 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)C[C@@H]2CCCO2)c1 263692323 OYGHTBSRSGLHIQ-LBPRGKRZSA-N 393.443 -0.029 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] 268497998 ILFUMAMQFKZOEB-GXFFZTMASA-N 380.357 -0.518 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 272900210 BJRODMRCVIYCOQ-UHFFFAOYSA-N 381.341 -0.192 5 20 GBBD CC(C)(CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(N)=O 299046175 KUHHVNBZUIZRLR-UHFFFAOYSA-N 387.418 -0.328 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN(CC(N)=O)C(=O)C2)cc1[N+](=O)[O-] 416547805 NJHUIRCTNDKHAU-UHFFFAOYSA-N 390.349 -0.939 5 20 GBBD O=[N+]([O-])c1ccc(OC2CN(S(=O)(=O)N3CCS(=O)(=O)CC3)C2)cc1 469073441 SLLTVACWENUYCE-UHFFFAOYSA-N 391.427 -0.367 5 20 GBBD Cc1c(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] 471317493 PFSYWPDYBKCFMJ-JKSUJKDBSA-N 397.453 -0.252 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCc2cn(CC(=O)O)nn2)cc1[N+](=O)[O-] 571348466 YDSMAXBFFNQAQH-UHFFFAOYSA-N 389.321 -0.103 5 20 GBBD NC(=O)c1ccnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] 576321411 KXKKOWTZCNWGEM-LLVKDONJSA-N 399.429 -0.281 5 20 GBBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 577294765 TZFDARZULCMEBL-ZDUSSCGKSA-N 378.428 -0.394 5 20 GBBD Cc1cc(C(=O)OCCn2cnc([N+](=O)[O-])n2)nc2c1c(=O)n(C)c(=O)n2C 749075854 FCAWIHYTNJDHHR-UHFFFAOYSA-N 389.328 -0.703 5 20 GBBD C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825006632 MTJQCRHPSJRYPK-DTWKUNHWSA-N 384.374 -0.455 5 20 GBBD Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc([N+](=O)[O-])c1 920901434 TUMSKASRXBBXLH-UHFFFAOYSA-N 376.325 -0.077 5 20 GBBD CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1591197983 BYXOYECCGHIYDD-MRVPVSSYSA-N 383.390 -0.223 5 20 GBBD O=C(O)[C@@H]1CC(=O)N(C2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)C1 1605973656 CWRJTIVDRCTLLM-LLVKDONJSA-N 392.368 -0.319 5 20 GBBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)n1ccnn1 1842000306 KWYFIAHNTXHWBC-LBPRGKRZSA-N 388.388 -0.153 5 20 GBBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 44712179 KINZAZOOKYVHHZ-UHFFFAOYSA-N 384.414 -0.070 5 20 GBBD C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)C(=O)N1CCS(=O)(=O)CC1 264535120 NHPLFMBDBCQAAU-VIFPVBQESA-N 395.397 -0.154 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 265317852 RPRQYHCBTFOLSZ-SECBINFHSA-N 386.386 -0.115 5 20 GBBD COCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 265915899 JWJIGUFEDNEAPQ-UHFFFAOYSA-N 379.417 -0.087 5 20 GBBD O=C(CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1CC1 272410642 ZDKPSTHJPAVJJJ-UHFFFAOYSA-N 399.429 -0.302 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 274656817 FTOIENIWEUMHOO-ZIAGYGMSSA-N 399.425 -0.724 5 20 GBBD O=C1CN(C(=O)c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CCN1 298778267 YLKHWQBNGHXSOC-UHFFFAOYSA-N 386.368 -0.320 5 20 GBBD CCN1CCOC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 367721506 HKBXKWVLYFKYJZ-AWEZNQCLSA-N 386.430 -0.290 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1)c1ccccc1[N+](=O)[O-] 424524275 UYCPLMJOJYXOEJ-JOYOIKCWSA-N 399.381 -0.518 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNS(=O)(=O)NC(C)C 428371885 HKYGLWPRESYNPR-UHFFFAOYSA-N 396.447 -0.286 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 465168749 SMAIKILWTVLOEN-UHFFFAOYSA-N 386.386 -0.744 5 20 GBBD C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 470367834 UBOYAHFCASRHSV-DGCLKSJQSA-N 387.414 -0.177 5 20 GBBD CN1CCC[C@@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 480930335 RYSREWSRQOAFQY-GFCCVEGCSA-N 399.429 -0.219 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]12 490845521 GXRPWOMHHGVJFU-NXEZZACHSA-N 391.340 -0.445 5 20 GBBD CCS(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 522109372 OFBLSDYGWBRTTH-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 544740687 JYHXIMWCPNEARC-UHFFFAOYSA-N 392.401 -0.180 5 20 GBBD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 557940736 BJYWESRTKUYKQL-LLVKDONJSA-N 389.438 -0.639 5 20 GBBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@@H](C(N)=O)C2)C1=O 747801833 BJOMBSLDGQZSLT-WBMJQRKESA-N 377.357 -0.495 5 20 GBBD NC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3nccc3[N+](=O)[O-])CC2)o1 917445387 BQFQIHUFLMAKRQ-UHFFFAOYSA-N 384.374 -0.553 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCNS(C)(=O)=O 1116129843 NLDJZPNPVBJIPP-JTQLQIEISA-N 376.439 -0.165 5 20 GBBD COCC(=O)N(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1591365044 HKUHJEHBKWQPEZ-UHFFFAOYSA-N 392.376 -0.592 5 20 GBBD CN1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C[C@@H]32)C1 1791795488 GNPGQXOMVZPSSH-JKOKRWQUSA-N 392.416 -0.527 5 20 GBBD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 1798010852 HZOMCLNBLUGXBK-PTEHBNRSSA-N 389.372 -0.432 5 20 GBBD CN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 265771250 HDWSUHCKGHPYMX-NSHDSACASA-N 399.429 -0.207 5 20 GBBD COC[C@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 269572713 UNAASRICWGWVDT-TZMCWYRMSA-N 387.414 -0.129 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 271402915 RSLZSEOKFNSUGD-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD CNS(=O)(=O)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 275739485 BUIXQVNHQBLETO-UHFFFAOYSA-N 394.431 -0.783 5 20 GBBD COCCNC(=O)CNc1ccc([N+](=O)[O-])c(NCC(=O)NCCOC)n1 277441616 MPNBZRBIICQOFE-UHFFFAOYSA-N 384.393 -0.661 5 20 GBBD O=c1ccc([N+](=O)[O-])cn1CCN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 289603807 TVLKJWKBFRGHEK-UHFFFAOYSA-N 382.402 -0.514 5 20 GBBD CC(C)C(=O)N[C@@H](CO)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 291726450 RKXWUUSKMSRTLJ-ZDUSSCGKSA-N 387.414 -0.382 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298130730 JSCVVRQCMSRDAX-UHFFFAOYSA-N 384.414 -0.048 5 20 GBBD CN(C)C(=O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 299178013 VPQILDGVNXMJTO-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 411428662 QHXHBDHTYATDFW-GFCCVEGCSA-N 375.341 -0.087 5 20 GBBD COCC[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 467834883 NMEUMBZBNJXAHK-LLVKDONJSA-N 375.403 -0.223 5 20 GBBD C[C@]1(C[C@@H]2CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)NC(=O)NC1=O 500168262 CIPCBBYFFAYLHR-ZUZCIYMTSA-N 379.377 -0.047 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 577706807 YPCSUHPBOGCSQI-UHFFFAOYSA-N 386.386 -0.412 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@](O)(CC(N)=O)C1 591674882 ZBFKTQHTRHAHAY-DIFFPNOSSA-N 378.385 -0.058 5 20 GBBD O=C(CN1CCn2nnc(CO)c2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 593030767 RKUAEWPOLUXADT-UHFFFAOYSA-N 376.329 -0.138 5 20 GBBD COC(=O)C1CCN(S(=O)(=O)NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 741112535 QHDIVNWFSDPXSW-UHFFFAOYSA-N 389.390 -0.573 5 20 GBBD C[C@H](O)c1cn(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 763031338 VYEQQEVQESDGKW-JTQLQIEISA-N 398.401 -0.666 5 20 GBBD NS(=O)(=O)C[C@H]1CCCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 771416075 DLTRUGMCTIUHKE-CYBMUJFWSA-N 384.414 -0.006 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 805968795 UUNCPQMKJMOFHY-LBPRGKRZSA-N 383.405 -0.130 5 20 GBBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1318263089 UZBAQELLSHURCM-GJZGRUSLSA-N 398.441 -0.448 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1328817487 SIBTWEWEPLDTOR-INIZCTEOSA-N 375.429 -0.159 5 20 GBBD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798626274 LAUVVGAOIZEMIV-WDAIWFPHSA-N 392.368 -0.515 5 20 GBBD O=C(CC1(O)CCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1801586349 LEWANDPLDLZHLD-PTEHBNRSSA-N 393.400 -0.174 5 20 GBBD O=C(CN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl 267433239 CQVYGSTXSMUNDD-JTQLQIEISA-N 381.776 -0.171 5 20 GBBD CN1C(=O)CN(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 271767566 ASQDNJPTUCXZCP-UHFFFAOYSA-N 385.358 -0.860 5 20 GBBD Cn1cnc([N+](=O)[O-])c1-c1noc(Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 350888317 JQJOMENMZKDWQC-UHFFFAOYSA-N 387.316 -0.826 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCNCC1 428651593 RSRLAWUIAAHWNC-UHFFFAOYSA-N 385.446 -0.715 5 20 GBBD NC(=O)NC1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 478875663 OONBXVBYUBOMDH-UHFFFAOYSA-N 377.357 -0.021 5 20 GBBD CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 487069454 AKCSGWHTIYCFSS-UHFFFAOYSA-N 379.417 -0.185 5 20 GBBD CN(C)CCN(C)CCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 494842067 KUMYGNNSKFTQGO-UHFFFAOYSA-N 387.462 -0.145 5 20 GBBD Cn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nn1 518225696 UVVPVYAEWASDFR-UHFFFAOYSA-N 393.385 -0.292 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] 519000370 CBSCKUYELRLNBS-QWHCGFSZSA-N 375.385 -0.597 5 20 GBBD CN(C)S(=O)(=O)CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 552013084 HPBRKCFEDIZYMW-UHFFFAOYSA-N 396.429 0.348 5 20 GBBD C[S@@](=O)CCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 561958599 SGLCXIYHHLIYMR-XMMPIXPASA-N 392.459 -0.071 5 20 GBBD C[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCN1S(C)(=O)=O 596480013 YAPGZELMVQQCNY-SECBINFHSA-N 378.432 -0.288 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 598028547 OKLVERLFBYTWHL-AXFHLTTASA-N 389.434 -0.245 5 20 GBBD CN(CCOCCN)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 600796823 JXWFMPXXECLMMW-UHFFFAOYSA-N 379.417 -0.323 5 20 GBBD NC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)O 614312864 GFQIEUCNLOKGEM-LURJTMIESA-N 396.175 -0.036 5 20 GBBD CCONC(=O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 845714495 FXAVWGANNLIISG-UHFFFAOYSA-N 389.434 -0.086 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@H]1CN1CCCC1=O 1329962635 SYXOCDGBLLTHQG-ZDUSSCGKSA-N 392.416 -0.089 5 20 GBBD O=C1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CN1C1CC1 1593387135 ZBZGEXZCZKTCPG-QMMMGPOBSA-N 393.385 -0.184 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)[C@@H]1C=CCN1 1787400715 IDHGKEYRBLUXNK-MNXVOIDGSA-N 390.400 -0.561 5 20 GBBD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-])n1cnnn1 1796853785 HYMNAJDBSFKEMS-MMWGEVLESA-N 389.376 -0.183 5 20 GBBD CC(C)CNC(=O)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999135 IGUJPNKKQBFCQR-UHFFFAOYSA-N 392.416 -0.233 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 294547165 WEWTYEYNOVFVPA-UHFFFAOYSA-N 383.390 -0.699 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 299624077 FHXMGALTHKTYHE-UHFFFAOYSA-N 398.397 -0.337 5 20 GBBD CN(Cc1nnnn1C)C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 466715329 AQVSQBNJZXVMAN-UHFFFAOYSA-N 391.344 -0.123 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CC(n3cc(C(N)=O)nn3)C2)c([N+](=O)[O-])c1 500925908 XUMFLDLKBGZCCR-UHFFFAOYSA-N 395.401 -0.403 5 20 GBBD NC(=O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 522640973 ITMDYENDFOQSDU-LLVKDONJSA-N 399.429 -0.220 5 20 GBBD COCCCN(CCO)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 563157177 VLFLXWQJDKOSIV-UHFFFAOYSA-N 395.416 -0.504 5 20 GBBD Cn1c(NCCOc2ccc([N+](=O)[O-])cc2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 737595114 GNRVHVKHUGXSLZ-UHFFFAOYSA-N 388.344 -0.337 5 20 GBBD O=C(O)CCCS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 739694969 QISKCUFMLUWYNN-UHFFFAOYSA-N 395.415 -0.343 5 20 GBBD COCCOc1cc(C(=O)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccn1 861326585 LILJGYLFZYJQDB-UHFFFAOYSA-N 385.358 -0.133 5 20 GBBD CCON(C)C(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1118000860 JGBNEHNQNMQYLP-UHFFFAOYSA-N 388.402 -0.259 5 20 GBBD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787480643 ZSICCPICFUPDKW-SRVKXCTJSA-N 394.388 -0.953 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cnco1 1793564477 AJKZSCVQZNQCTD-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800286439 MYBXAGXVRZRFPI-DDFAGTSDSA-N 389.372 -0.513 5 20 GBBD NC(=O)c1ccc(N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 266633734 JOTYKQQEEBRNQS-CQSZACIVSA-N 375.389 -0.532 5 20 GBBD O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 271181447 YVGBCAOTHQHEEX-UONOGXRCSA-N 384.414 -0.098 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 298171413 CJHQBEBWABYXOI-AWEZNQCLSA-N 376.369 -0.202 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 533083116 NHFXPPSBVXNOIR-CYBMUJFWSA-N 384.414 -0.135 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)O)CCOC1 540672163 KVIOXZFKSSIRDP-CQSZACIVSA-N 387.370 -0.377 5 20 GBBD NCC(=O)NCC(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 578865672 ZAYYHNPCCDQDLY-UHFFFAOYSA-N 375.389 -0.415 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCN(S(C)(=O)=O)CC2)n1 587439249 OWKUXXPNUKKTQS-UHFFFAOYSA-N 387.418 -0.235 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N3)CC2)cc1[N+](=O)[O-] 596658829 WUFXIYKWPYPSCR-LLVKDONJSA-N 398.397 -0.675 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C1 611001783 IQYCACPPEOZDKB-LLVKDONJSA-N 392.459 -0.027 5 20 GBBD O=[N+]([O-])c1ccc2ncnc(N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)c2c1 611712899 SFXGNNFTHBSGMX-HUUCEWRRSA-N 393.425 -0.182 5 20 GBBD CS(=O)(=O)NCCOC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 730602886 OYTFGFJJSLACCE-UHFFFAOYSA-N 395.415 -0.644 5 20 GBBD CCOC[C@@H](O)CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821367707 MBGMUQAILVDVGY-NSHDSACASA-N 378.393 -0.311 5 20 GBBD CN(C)CCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1117832563 QTKNROSCGKSRHA-UHFFFAOYSA-N 397.457 -0.039 5 20 GBBD C[C@H](NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 1322925077 BEHJRPRJXVCNLQ-SWLSCSKDSA-N 380.401 -0.075 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 1326168078 VOPZQJCRIBBDOL-CABCVRRESA-N 391.432 -0.072 5 20 GBBD NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1783152119 WURPBAGNBWKRNF-INIZCTEOSA-N 380.357 -0.103 5 20 GBBD O=C1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)N1 1795700736 XEFGFOMMQKZJOY-OPDFLTKYSA-N 390.400 -0.292 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)[C@@H]1C=CCN1 1796310611 KAKDDOUFSUPDBL-USZNOCQGSA-N 376.373 -0.951 5 20 GBBD COc1ccc([N+](=O)[O-])cc1OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 14601077 SWWCYJPDBVHUAN-UHFFFAOYSA-N 389.324 -0.044 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(N)CC3)CC2)cc1[N+](=O)[O-] 262322459 RTIUBNCQOXEEMP-UHFFFAOYSA-N 384.414 -0.072 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 265102261 XMMSOBJPZRLOSE-UHFFFAOYSA-N 376.373 -0.022 5 20 GBBD NC(=O)CSCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265430747 RNNNQCGFZFGUTE-UHFFFAOYSA-N 376.416 -0.792 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC(F)(F)CO 274365193 JLAMFGJXUUXNDD-UHFFFAOYSA-N 382.345 -0.200 5 20 GBBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 274674036 KMCJMUQOMNALHO-HZPDHXFCSA-N 397.453 -0.171 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 276460805 VXGWAGJNSZJWNP-UHFFFAOYSA-N 380.386 -0.241 5 20 GBBD CC(=O)N1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 299210564 NGSJTRYVAWCFHX-UHFFFAOYSA-N 398.441 -0.108 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H]1CO 368834581 NGOGTTYCRODKCA-VXGBXAGGSA-N 388.402 -0.990 5 20 GBBD CS(=O)(=O)N1CCN(CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 427976535 JUFZJYLUQKAZHG-UHFFFAOYSA-N 398.441 -0.107 5 20 GBBD CN1CCO[C@@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 468289860 PPAFPBDZKVXKFW-CQSZACIVSA-N 386.430 -0.143 5 20 GBBD C[C@@H]1CO[C@@H](CO)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 511332670 ILYDLDZZQJHFIK-DGCLKSJQSA-N 387.414 -0.129 5 20 GBBD C[C@]1(c2ccc(CNC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2)NC(=O)NC1=O 567891452 GHQANUPULDCPMH-WMLDXEAASA-N 388.384 -0.003 5 20 GBBD O=C1CCCc2cc(S(=O)(=O)NC(=O)Cn3cnc([N+](=O)[O-])n3)ccc2N1 786999830 FTYRFJNPUHLROY-UHFFFAOYSA-N 394.369 -0.034 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1OC 793909680 YDMLBMLWANIYFN-SECBINFHSA-N 396.356 -0.011 5 20 GBBD C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)NCCN1CCOCC1 805969782 RGHMUEJMHWGNCY-GFCCVEGCSA-N 383.405 -0.094 5 20 GBBD CON(C)C(=O)[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 863627738 YZIZTUBPGKWSBT-JTQLQIEISA-N 388.402 -0.260 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(CC2CCOCC2)CC1 1323615128 FWYASUAXHWKFAB-UHFFFAOYSA-N 394.432 -0.522 5 20 GBBD Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795979021 RQMHKJPPDGNZNM-BZBKMWRSSA-N 390.360 -0.739 5 20 GBBD CCC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837798974 KJQGNMCQMGHDIG-MRXNPFEDSA-N 395.372 -0.633 5 20 GBBD CCNC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844229878 CVRUJEDDTFDPOA-JTQLQIEISA-N 393.404 -0.158 5 20 GBBD O=C1NC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)O1 1847849644 JNJCDPWUSWFRLO-SRVKXCTJSA-N 378.345 -0.899 5 20 GBBD CNC(=O)CN1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 272769410 HDTRRPSHOLDOOH-HNNXBMFYSA-N 375.385 -0.022 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 275079732 NFLWYMBGTOSLFV-UHFFFAOYSA-N 390.349 -0.037 5 20 GBBD CC(C)NS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 277203820 PZHNPVUVFPIPFX-UHFFFAOYSA-N 381.436 -0.514 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCn1cc([N+](=O)[O-])nc1C 281005466 DTGAJUCGOWYBIX-UHFFFAOYSA-N 396.448 -0.261 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CNC[C@@H]2C1 417301232 AEUCKJRJAJHTSR-TXEJJXNPSA-N 383.430 -0.266 5 20 GBBD Cn1cc([C@H](CO)NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 481874721 UKWVLPWXSQPLBS-AWEZNQCLSA-N 397.413 -0.154 5 20 GBBD COC[C@@](C)(NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 540673440 WTVMQIJQIPJFMK-CQSZACIVSA-N 389.386 -0.131 5 20 GBBD COC[C@@](C)(O)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 575242307 ILSWZMSCHPANMC-CQSZACIVSA-N 375.403 -0.271 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 599202779 HZGQCJUEWKTDDF-UHFFFAOYSA-N 389.415 -0.503 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600085287 MKFXVLXMZWZIEF-UHFFFAOYSA-N 399.429 -0.243 5 20 GBBD O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)s1 799939538 LMTGTKPLTZDPSB-SECBINFHSA-N 396.472 -0.310 5 20 GBBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)Cn1nc(C)n(C)c1=O 847710065 KHMCGMNCMANTHS-UHFFFAOYSA-N 398.401 -0.265 5 20 GBBD CCN1C(=O)CO[C@H](C(=O)OCCn2cnc([N+](=O)[O-])n2)[C@H]1c1nccn1C 860583945 DYFRSMWPUZWLOY-RYUDHWBXSA-N 393.360 -0.548 5 20 GBBD O=C(N[C@@H]1CCOC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1323191539 BRGJCPGNECDRSN-CYBMUJFWSA-N 376.369 -0.216 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1345843894 AVNMYTKUCNXTBX-GXTWGEPZSA-N 379.369 -0.364 5 20 GBBD CC1(C)CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C[C@@H](CO)O1 1590106953 NONHOFYWZQVTIJ-JTQLQIEISA-N 398.401 -0.065 5 20 GBBD CN(CCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)c1nnn(C)n1 1591095048 SZWGBUMDDBWOBE-UHFFFAOYSA-N 387.364 -0.493 5 20 GBBD Cn1c(NCCNc2ccc([N+](=O)[O-])cc2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1606218294 HDRLIEPWBWASRM-UHFFFAOYSA-N 387.360 -0.304 5 20 GBBD CCOCCS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 263737534 ZOGBAMIYILGXQX-UHFFFAOYSA-N 381.432 -0.171 5 20 GBBD CN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265650697 ULQUWWCLGVIDHT-UHFFFAOYSA-N 386.430 -0.336 5 20 GBBD CCNC(=O)CN1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 273527244 YGLGOOYAEKNBAL-UHFFFAOYSA-N 385.446 -0.110 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 273556784 MWFFQGIJDKXCFI-MWLCHTKSSA-N 387.370 -0.307 5 20 GBBD CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 422332338 MWDGPLZPUYWRPY-LBPRGKRZSA-N 390.400 -0.625 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 513105860 CMINANHCYZUFSH-UHFFFAOYSA-N 382.402 -0.094 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 532797488 PGSMBRFETNTNLY-VIFPVBQESA-N 378.432 -0.064 5 20 GBBD NC(=O)[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 552188347 QYKPUTCBNBSPAQ-BJOHPYRUSA-N 382.398 -0.290 5 20 GBBD CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 592434980 FTBZFCRWAYCUHZ-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 599489168 QQGWTANOILVJIV-UHFFFAOYSA-N 378.432 -0.151 5 20 GBBD Cn1c(=O)nc(O)c2nc(CCC(=O)OCCn3cc([N+](=O)[O-])cn3)[nH]c21 748119941 FJARUDDUTCXAKU-UHFFFAOYSA-N 377.317 -0.357 5 20 GBBD O=C(O)Cn1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 833277588 UTISVZOYPGJDEM-UHFFFAOYSA-N 385.314 -0.157 5 20 GBBD O=C(Cn1ccnn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378676 GBTZBHYTBJXIJZ-HNNXBMFYSA-N 390.360 -0.947 5 20 GBBD CO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791319146 MYWNXULZABCACZ-DHMWGJHJSA-N 395.416 -0.194 5 20 GBBD CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1847344433 KTHGNMFREYEMHT-UWVGGRQHSA-N 379.377 -0.596 5 20 GBBD CN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 281385949 WKZJHCRHKCUJNM-SCRDCRAPSA-N 399.425 -0.034 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 283925772 KGIBLMCGOUHQPU-NSHDSACASA-N 395.391 -0.021 5 20 GBBD CC[C@H](CNS(C)(=O)=O)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 297798068 RZZDRGLQPGYTMJ-SECBINFHSA-N 386.386 -0.053 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)ccc1[N+](=O)[O-] 371696476 NCEOLUSFLSOUNT-GFCCVEGCSA-N 384.414 -0.087 5 20 GBBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 411429016 QHXHBDHTYATDFW-LBPRGKRZSA-N 375.341 -0.087 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](CO)O1 460011489 IQIJDTPWUCXFRS-CJNGLKHVSA-N 392.412 -0.148 5 20 GBBD COc1cc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)ccc1[N+](=O)[O-] 468756226 AIQXATVEOIFBNS-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1 484868847 ZGGJJEVOWAHUKK-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@]1(OCCO)CCOC1 597992222 BNKPUSJQOKCCJZ-QGZVFWFLSA-N 395.368 -0.396 5 20 GBBD O=C([C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@@H](O)C1 600217159 QDWRYYVFIGIHHU-ILXRZTDVSA-N 399.425 -0.298 5 20 GBBD C[C@]1(C2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)NC(=O)NC1=O 820613099 SNAFWHGWZXJTIX-OAHLLOKOSA-N 387.360 -0.016 5 20 GBBD Cc1c(C(=O)NOCCN2CCCC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 856040043 RWJAMRWYKRNCMA-UHFFFAOYSA-N 386.386 -0.166 5 20 GBBD COC(=O)CCN(CC(OC)OC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859109627 RTFBFISVJQDRQZ-UHFFFAOYSA-N 380.379 -0.499 5 20 GBBD O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 916476612 JFDUEOSHGBERKP-JTQLQIEISA-N 385.354 -0.236 5 20 GBBD CN(CCCN)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1118510398 DNBAADTUWKEJRO-UHFFFAOYSA-N 383.430 -0.252 5 20 GBBD NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779388874 JLLLXDXASATYIK-HNNXBMFYSA-N 380.361 -0.973 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] 268498002 ILFUMAMQFKZOEB-ZWNOBZJWSA-N 380.357 -0.518 5 20 GBBD O=C(CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 269024589 GOGFXSCRAXZKHZ-UHFFFAOYSA-N 379.421 -0.259 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 274967285 BYGDTGMOLJGFLF-LLVKDONJSA-N 392.411 -0.002 5 20 GBBD Cc1nn(C)c(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 299178451 ZBGWRXHHHLFGOP-UHFFFAOYSA-N 378.389 -0.456 5 20 GBBD CN(C)CCOCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 422381393 SDBSDTMGHAKUSA-UHFFFAOYSA-N 394.432 -0.667 5 20 GBBD Cc1c(C(=O)NC[C@@H](CO)[C@H]2CCOC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 435926645 NNXFGWRRBKFZMH-QWRGUYRKSA-N 387.414 -0.075 5 20 GBBD CNS(=O)(=O)c1ccc(NC[C@](C)(O)CN2CCOCC2)c([N+](=O)[O-])c1 462873899 KDQHJTPMJRCZPJ-HNNXBMFYSA-N 388.446 -0.002 5 20 GBBD Cn1cnc([N+](=O)[O-])c1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 476666330 UZPVDSBTANNXLW-UHFFFAOYSA-N 398.401 -0.473 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 478542513 MJEJDTJFXOVMQW-HNNXBMFYSA-N 384.414 -0.013 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC[C@](C)(O)CN2CCOCC2)ccc1[N+](=O)[O-] 542958648 KWEIYGOKVMFWMH-SFHVURJKSA-N 394.428 -0.168 5 20 GBBD CCc1ccc(S(=O)(=O)NCCOCCS(N)(=O)=O)cc1[N+](=O)[O-] 564909023 YWYZWVJYZXTPBV-UHFFFAOYSA-N 381.432 -0.259 5 20 GBBD NC(=O)[C@H]1CC[C@@H](C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)O1 565742907 RSKMHNUWLBGDAG-KGLIPLIRSA-N 388.384 0.489 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 592308912 OXFOAJLRDQHJBR-SMDDNHRTSA-N 386.430 -0.210 5 20 GBBD O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 597288978 ZDYXKVNEECMUPG-BZUAXINKSA-N 391.380 -0.708 5 20 GBBD O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CCO[C@@H](c2nn[nH]n2)C1 732090470 KDJDLLOCNVHMLU-GXSJLCMTSA-N 391.344 -0.094 5 20 GBBD COc1ccc(NC(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c([N+](=O)[O-])c1 733565579 WHCLNDHNFHEWAE-UHFFFAOYSA-N 394.296 -0.494 5 20 GBBD Cc1nn(C)c2ncc(S(=O)(=O)NC(=O)Cn3cc([N+](=O)[O-])cn3)cc12 816196790 REHFCPUWGUQQRO-UHFFFAOYSA-N 379.358 -0.113 5 20 GBBD O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@@H](O)C2)c(S(=O)(=O)N2CCOCC2)c1 845563798 IYRGQTVSUYAWCL-FZMZJTMJSA-N 387.414 -0.595 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1256993348 ODWJDPGNLGWRPJ-OAHLLOKOSA-N 380.401 -0.638 5 20 GBBD Cc1c(CNC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] 1326681959 NYADXVFBOVKZML-GFCCVEGCSA-N 384.414 -0.330 5 20 GBBD O=C(c1cccnn1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779463668 YXAGYZKBWXXTIL-MRXNPFEDSA-N 387.356 -0.135 5 20 GBBD NC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1843349765 RDUJVEYVUWBKQK-NSHDSACASA-N 391.384 -0.574 5 20 GBBD O=C([C@@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412818 SVCULZNCOVHCOT-NSHDSACASA-N 397.413 -0.288 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC 29398073 TXPNPKWKQVMVCQ-SECBINFHSA-N 376.343 -0.014 5 20 GBBD CS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 272983153 YVQLPNKLNFLMSI-UHFFFAOYSA-N 377.444 -0.054 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 286198316 FPKPECBXZADSGJ-UHFFFAOYSA-N 377.357 -0.296 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNS(=O)(=O)N(C)C 298222005 YCRWZQFTGAGEQC-UHFFFAOYSA-N 387.418 -0.392 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1[N+](=O)[O-] 413802495 UTWHDZZTTPGGIC-LBPRGKRZSA-N 386.430 -0.181 5 20 GBBD CN(CCC(=O)O)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 422768164 YZAPSKZMRDGYNO-UHFFFAOYSA-N 398.397 -0.126 5 20 GBBD CN1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 424962013 VPPCGELUZPSBBD-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD CNC(=O)[C@H](CO)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 440082619 WIRZABKMFKWLJR-VIFPVBQESA-N 382.192 -0.258 5 20 GBBD CO[C@@H](CN)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 447478108 KUGWDPLCFCLGGR-CYBMUJFWSA-N 386.430 -0.209 5 20 GBBD C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 517435862 JGRIMXCXVIEMIY-LLVKDONJSA-N 375.389 -0.028 5 20 GBBD CN(C)C(=O)Cn1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 522856777 SBVGSKYMIJORFH-NSHDSACASA-N 388.388 -0.004 5 20 GBBD NS(=O)(=O)[C@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 536360666 KSFWKYLPJDAHHJ-ZDUSSCGKSA-N 399.429 -0.327 5 20 GBBD CCC(CC)(NC(=O)C1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1)C(N)=O 561417293 HPDJNRUUDDYACT-UHFFFAOYSA-N 380.405 -0.200 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](CO)O1 574046575 PWXNXNIDNDHUDZ-TZMCWYRMSA-N 393.400 -0.753 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593602031 AUKGHPMRKPPMHJ-UHFFFAOYSA-N 393.447 -0.461 5 20 GBBD NS(=O)(=O)c1cc2c(s1)CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 595885589 PTYQDZMDQPQJTM-NSHDSACASA-N 387.443 -0.081 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 611005527 NENIUEROWVWUIQ-QWRGUYRKSA-N 388.450 -0.023 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCCNC2=O)cc1[N+](=O)[O-] 767238717 GIBPGFBIVWAAEV-LBPRGKRZSA-N 386.386 -0.263 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(-c2nn[nH]n2)nc1 823285300 PXBQYEFFKOMFDH-UHFFFAOYSA-N 376.314 -0.316 5 20 GBBD Cn1cc(/C=C\C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 915818375 NHVAXESVLIOZPK-FPLPWBNLSA-N 394.365 -0.490 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1329714709 CIYDPTKSXFXCRX-LBPRGKRZSA-N 384.414 -0.391 5 20 GBBD O=C(O)[C@H]1C[C@H](O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1601770759 BMGOPUCYYZRKIT-LSDHHAIUSA-N 378.385 -0.237 5 20 GBBD O=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)=NN1 1798371616 UTIIKRKZTPMTNU-JGPRNRPPSA-N 389.372 -0.695 5 20 GBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)c([N+](=O)[O-])cc1O 1798594897 UCQAERKMQBWHMD-WRBXQSRGSA-N 394.384 -0.529 5 20 GBBD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1)C(=O)O 1844828225 IFYSYNKKVGEDEZ-LLVKDONJSA-N 379.373 -0.197 5 20 GBBD Nc1c(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc(F)cc1[N+](=O)[O-] 266702693 GPFQEARNYPNYJT-UHFFFAOYSA-N 375.382 -0.638 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 267677135 OYIDTIDFFPQCCZ-NSHDSACASA-N 377.357 -0.289 5 20 GBBD NC(=O)c1ccc(SCC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c([N+](=O)[O-])c1 268485157 FOWSEDAPWOMJLR-ONGXEEELSA-N 382.398 -0.065 5 20 GBBD O=C(O)[C@@H]1Cn2c(O)nnc2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 424397252 ZGFNDAOVFXSAJY-JTQLQIEISA-N 383.342 -0.309 5 20 GBBD CNC(=O)CN1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 467222658 ARDZXTKHMPOVFU-UHFFFAOYSA-N 378.385 -0.201 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 498774791 LBAJIPXPFMGYET-LLVKDONJSA-N 379.369 -0.040 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 513124891 XXAUTXHAPARNHD-UHFFFAOYSA-N 382.421 -0.567 5 20 GBBD C[C@@H](NS(C)(=O)=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541751224 KDXWCYFAXTZGAQ-SECBINFHSA-N 379.416 -0.578 5 20 GBBD CN(C)CCOCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 568550407 IVBHEOVBHUJSPF-UHFFFAOYSA-N 394.432 -0.667 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(CCOCCN)CC2)cc1[N+](=O)[O-] 583026208 YAJVGXJOCCSABI-UHFFFAOYSA-N 388.446 -0.115 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 603628934 RLMHKOIKICNHAB-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 727741748 KIIGSMDJAIZNKH-UHFFFAOYSA-N 393.443 -0.186 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN1C=O 854960668 GDFRRFFJCYCDPS-AWEZNQCLSA-N 384.414 -0.048 5 20 GBBD CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1=O 1591193499 DRNFODXHVDSYSI-UHFFFAOYSA-N 381.374 -0.372 5 20 GBBD C[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778064288 ZOKZRNJRIVFKES-LYOVBCGYSA-N 381.389 -0.174 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 58518426 YTPQINBGNNQFFW-ZJUUUORDSA-N 375.428 -0.428 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)OC 273535841 KWAYFKZXSNEJNR-KOLCDFICSA-N 388.354 -0.322 5 20 GBBD COc1cc(CCNC(=O)C(=O)NCCCNC(C)=O)c([N+](=O)[O-])cc1OC 284528355 ZUYVHEWUDNRZRR-UHFFFAOYSA-N 396.400 -0.087 5 20 GBBD O=C1CN(C(=O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 293171693 PDRICFQWWQIXLY-UHFFFAOYSA-N 375.385 -0.689 5 20 GBBD CN(CCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)Cn1ccc([N+](=O)[O-])n1 298757789 HXLGWHYILAWCJQ-UHFFFAOYSA-N 394.348 -0.487 5 20 GBBD CCOC(=O)[C@@H]1NCC[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 422978139 HCQBVPWBFHRAMD-BXUZGUMPSA-N 386.430 -0.244 5 20 GBBD O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 469103985 JHRUJNMWJHKDBM-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 519836125 ZZOONSBOGWBWTM-UONOGXRCSA-N 385.384 -0.132 5 20 GBBD CN(C)CCNC(=O)Cn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 525616922 MIFNSROITGNXQO-UHFFFAOYSA-N 378.393 -0.306 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O 588830148 AUXGJTFHRSZNRQ-GFCCVEGCSA-N 381.341 -0.179 5 20 GBBD COc1cc([N+](=O)[O-])ccc1Oc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 737051388 IZJIRVUIKDGFBM-UHFFFAOYSA-N 375.301 -0.027 5 20 GBBD Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1[N+](=O)[O-] 779859030 CUBZYUKRQBVRRE-UHFFFAOYSA-N 398.401 -0.244 5 20 GBBD CNC(=O)[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CCO1 781574918 IQHKZYOVAQHQJV-SUMWQHHRSA-N 391.384 -0.234 5 20 GBBD Cn1cc(S(=O)(=O)NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cn1 802034727 WPNSBIOMZCDLGV-UHFFFAOYSA-N 388.383 -0.150 5 20 GBBD CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 804548956 SCJPCWCJIJVWHC-UHFFFAOYSA-N 399.429 -0.811 5 20 GBBD Cn1c(=O)c2c(ncn2Cc2nc(CCC(C)(C)[N+](=O)[O-])no2)n(C)c1=O 812815137 ZOEMKNNRTWOUON-UHFFFAOYSA-N 377.361 -0.147 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 826026974 GTCAIFDFCFPDEL-PBHICJAKSA-N 392.412 -0.323 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)COCC2CC2)c1-c1nn[nH]n1 826500171 NNBRIKIRSCEVGB-JTQLQIEISA-N 398.401 -0.159 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)NS(=O)(=O)c1cccc(-n2cnnn2)c1 917417876 UBIJVKFCSOGVCV-UHFFFAOYSA-N 378.330 -0.728 5 20 GBBD Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 1319388902 LVXLJXCTZRPYCR-UHFFFAOYSA-N 385.446 -0.252 5 20 GBBD O=C(c1nc2ncccn2n1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411679 TURQDQDCUWZMEZ-UHFFFAOYSA-N 397.355 -0.114 5 20 GBBD C[C@]1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC(=O)NC1 281835896 LEHCGHZFSRKRMO-HNNXBMFYSA-N 384.414 -0.094 5 20 GBBD NC(=O)c1ccnc(NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1[N+](=O)[O-] 290697351 VJGSOHKJKPJZIF-JTQLQIEISA-N 387.418 -0.011 5 20 GBBD CS(=O)(=O)N1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 298801328 REBRBDJDHAADOW-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](C)N1 423601835 ZWIXFHYEPIZTLO-CHWSQXEVSA-N 376.417 -0.153 5 20 GBBD O=C([C@H]1CNCCO1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 429747147 WLVWRDMXYGKTRP-CQSZACIVSA-N 384.414 -0.584 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)[C@@H]1CCOC1 475532144 REPFPIDKRKZOLC-BXUZGUMPSA-N 387.414 -0.223 5 20 GBBD Cn1cnc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 491135985 OSXQLHHBJVZSPU-UHFFFAOYSA-N 387.356 -0.354 5 20 GBBD CCN(CC(=O)NC(C)C)C(=O)Cn1cc(C(=O)OC)cc([N+](=O)[O-])c1=O 512112254 FMCDQCQBRHFURL-UHFFFAOYSA-N 382.373 -0.084 5 20 GBBD COCC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(N)=O 540484285 CZMWNKCZJRHWAH-QMMMGPOBSA-N 375.359 -0.465 5 20 GBBD COC(=O)CCN(C)S(=O)(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 548217886 VBOKLCFYNBARHB-GFCCVEGCSA-N 389.386 -0.080 5 20 GBBD Cn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 550831056 FFUMNSPRDIRDKW-UHFFFAOYSA-N 387.356 -0.354 5 20 GBBD CC(C)NS(=O)(=O)NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] 568382819 NXQMURDZUINRPD-LBPRGKRZSA-N 376.435 -0.244 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] 596080337 HSILASVFZZTDMB-UHFFFAOYSA-N 397.413 -0.831 5 20 GBBD CC(C)(C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)n1cc([N+](=O)[O-])cn1 597560935 BYLQHFAZDNKDNT-UHFFFAOYSA-N 397.417 -0.217 5 20 GBBD Cn1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c(=O)n(C)c1=O 739036140 HVDOFEJNKZEICP-UHFFFAOYSA-N 385.310 -0.542 5 20 GBBD CC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 789841942 UIESNYUMIHFORB-UHFFFAOYSA-N 392.368 -0.442 5 20 GBBD C[C@@H](Cn1cncn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824466409 WVTASFLGYKDWDE-QMMMGPOBSA-N 379.362 -0.267 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 1261722909 IVTZMYSITQDZJR-YPMHNXCESA-N 385.398 -0.519 5 20 GBBD CCN(CC)C(=O)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1261893827 CSMXQJGWKIHKSD-UHFFFAOYSA-N 392.416 -0.377 5 20 GBBD COC(=O)CN(C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1320547826 LLAVAUZNAAPYPI-UHFFFAOYSA-N 389.386 -0.251 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787478162 YOLMQPIZJWQCRY-GUBZILKMSA-N 391.344 -0.392 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1845519356 KVAGCESFDRCZJF-UHFFFAOYSA-N 378.385 -0.212 5 20 GBBD C[C@@H]1C(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 264368481 GCXMSAJLEWCLEP-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCO[C@@H](CNC(C)=O)C2)c([N+](=O)[O-])c1 265469815 PAUJZAILZDZZNH-ZDUSSCGKSA-N 394.384 -0.161 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 266240778 ZUFWWTPZIMJMBF-UHFFFAOYSA-N 390.399 -0.019 5 20 GBBD CN1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 485784945 JSXFECCHNUQHQS-AWEZNQCLSA-N 398.441 -0.242 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 533542453 FLPNJWVWKCXNKG-NSHDSACASA-N 380.386 -0.061 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@](C)(O)CO 555085794 ZOXRHYQGPGBTJD-LKFCYVNXSA-N 375.403 -0.101 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCC(O)(CO)CC2)c(C)c([N+](=O)[O-])c1 595157207 UBNUSKZZRYGZSG-UHFFFAOYSA-N 395.368 -0.026 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 614817663 UYNPARAHEMQKCP-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD Cc1nc(S(=O)(=O)NCC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cn1C 761399970 YVZGGXBVLXJLQA-UHFFFAOYSA-N 399.385 -0.680 5 20 GBBD C[S@@](=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 771146766 NHCUWOKNLKVYIH-HSZRJFAPSA-N 376.460 -0.257 5 20 GBBD CCn1cc(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)nn1 1328250982 UCZCQBTVXOOFJK-UHFFFAOYSA-N 388.388 -0.434 5 20 GBBD CC(=O)NC1CCC(N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1329712364 UTJYOWZYFUWOOR-UHFFFAOYSA-N 380.405 -0.187 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ccon1 1794924848 CWNQJZVNTXOZOK-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1ncon1 1798352388 RHKYKEVNQVPVSQ-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])n1cnnn1 1798689896 LFVUTUFITJAGNA-MMWGEVLESA-N 389.376 -0.183 5 20 GBBD CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828633 FKZFMAGIFGEION-LBPRGKRZSA-N 395.372 -0.196 5 20 GBBD CCN1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 57405074 FWAQTBWAIGAXQO-NSHDSACASA-N 384.414 -0.142 5 20 GBBD C[C@H](O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272961588 HRHODJPJTQMXKX-GVXVVHGQSA-N 387.414 -0.394 5 20 GBBD C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294466819 IBQHGDZPOULCQJ-LLVKDONJSA-N 384.414 -0.183 5 20 GBBD Cc1ccc(NCCCNC(=O)C(=O)N(C)[C@H]2CNC[C@@H]2O)c([N+](=O)[O-])c1 419456977 UTJYSTHPEVQWAJ-GJZGRUSLSA-N 379.417 -0.387 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1O 487685182 HICPQZFIGNBBDZ-VXGBXAGGSA-N 383.405 -0.213 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 508388220 KYJYWUUOZAGJSZ-KBPBESRZSA-N 399.425 -0.481 5 20 GBBD CCS(=O)(=O)N1CCC(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 543515357 XZCJVEDTSOPQRK-UHFFFAOYSA-N 386.430 -0.066 5 20 GBBD CNc1nccc(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1[N+](=O)[O-] 557543725 OIBGAOHHJFKAMD-UHFFFAOYSA-N 378.389 -0.160 5 20 GBBD CNC[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 576976691 KDKMOMKAZMQUGJ-AWEZNQCLSA-N 376.417 -0.151 5 20 GBBD COC(=O)COCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 600397963 SBCOGPBDJBHUIF-UHFFFAOYSA-N 375.359 -0.821 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 603555147 KVKOKCZNCDAICD-AWEZNQCLSA-N 388.446 -0.242 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 603912679 VWVODIAKJGRHHS-GFCCVEGCSA-N 380.357 -0.330 5 20 GBBD COC(=O)CNC(=O)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 614535215 QKHDEPYIFOPMCY-UHFFFAOYSA-N 379.322 -0.690 5 20 GBBD CCOC(=O)c1n[nH]c(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 616029564 GPADABOGLTZKER-UHFFFAOYSA-N 376.329 -0.064 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCCN(CC(N)=O)CC1 746218591 LLOAKMMGZRJURO-GFCCVEGCSA-N 381.437 -0.153 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1[N+](=O)[O-] 777861597 HXJNKBNKAJUHMO-UHFFFAOYSA-N 390.393 -0.030 5 20 GBBD COC(=O)NCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 836648114 JEUKGDPYMRBIHJ-UHFFFAOYSA-N 389.390 -0.472 5 20 GBBD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@H](C)O1 839517208 QIAKVOYDCJTQKB-WUHRBBMRSA-N 376.435 -0.850 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 848590934 YCDVDWGJQDKMJS-UHFFFAOYSA-N 383.329 -0.012 5 20 GBBD O=C(NCC(=O)N1CCO[C@H](c2nn[nH]n2)C1)Nc1cccc([N+](=O)[O-])c1 857710229 WOAXJMRGZLKNEY-NSHDSACASA-N 376.333 -0.171 5 20 GBBD O=C(Cn1nccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1799408313 QQACBOLBCNNQNI-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD CN1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C3)C1 1803307407 PMYOIJSCMPZBMP-BTTYYORXSA-N 376.417 -0.009 5 20 GBBD O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC(=O)NC1CC1 8632493 AVOGQEGPQAFUOX-UHFFFAOYSA-N 390.308 -0.278 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 52719187 WVYLGBXTSIRDDJ-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD C[C@H](CS(C)(=O)=O)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280888477 GNMXKAMIROIHDW-SECBINFHSA-N 379.416 -0.578 5 20 GBBD CNS(=O)(=O)NC1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 280936981 HYLVFWKTTHRUQH-UHFFFAOYSA-N 393.447 -0.735 5 20 GBBD CN(CCCC(=O)NC(N)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421017233 LPCRIQRUECAGST-UHFFFAOYSA-N 387.418 -0.220 5 20 GBBD CCOC(=O)Cn1cnc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)n1 425760568 WZNPUMPNNVJMOW-UHFFFAOYSA-N 390.356 0.313 5 20 GBBD COC[C@@H](O)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 498616204 ZWAJUWKKMWTJLS-LBPRGKRZSA-N 375.403 -0.223 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O 516260494 HOQCXNAJMFXPPS-SNVBAGLBSA-N 398.397 -0.473 5 20 GBBD Cc1cc(NC(=O)CN2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)no1 516459346 FZZADBAAPJBBMU-UHFFFAOYSA-N 378.349 -0.734 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCS(=O)(=O)CC1 577532204 LPXSBJAMKDVALO-UHFFFAOYSA-N 377.444 -0.088 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 598032300 ZMMAGCCQSAACRL-QWHCGFSZSA-N 385.398 -0.357 5 20 GBBD O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)nc1NCCN1CC[C@H](O)C1 599198907 ALRRDKILNLWIJW-KBPBESRZSA-N 380.449 -0.053 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](O)[C@H]1CCOC1 609926974 BVEAMTLMYYCKIE-FZMZJTMJSA-N 387.414 -0.223 5 20 GBBD O=C(OCC(=O)N1CCNC1=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 733556933 AUSBAMIOLRAYQK-VIFPVBQESA-N 380.313 -0.113 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)Cc1ccon1 747182868 SIYYNUCDTKPZQS-UHFFFAOYSA-N 394.321 -0.175 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](CO)[C@H](O)C1 811837926 KWSXZFCRAQRCJB-GXFFZTMASA-N 375.403 -0.044 5 20 GBBD CCONC(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C 846133841 ZVHXEMWXAUKQJU-UHFFFAOYSA-N 382.329 -0.188 5 20 GBBD C[C@@H](OC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 848785499 BVUGBNVNNRVHJP-BDAKNGLRSA-N 386.386 -0.237 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 855470237 DBIGRQLMOXIBFB-DZGCQCFKSA-N 399.425 -0.027 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 918759369 GJWNFTJHOWHNLI-UHFFFAOYSA-N 386.748 -0.018 5 20 GBBD CN1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1=O 1258267154 SDNHQCZEPSLOBF-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1325077278 DKQYLXUNXUKLPM-UHFFFAOYSA-N 389.412 -0.155 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1603335079 HTNZZISCHIEFJM-UHFFFAOYSA-N 388.388 -0.052 5 20 GBBD N=C(N)SCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795505426 MDNAKTJOASSZHW-AKZRSSKFSA-N 397.417 -0.852 5 20 GBBD CCNC(=O)NC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 23225017 ZOXRSRPUGNVDBJ-UHFFFAOYSA-N 380.313 -0.291 5 20 GBBD CCNC(=O)[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 66360364 KYIXUAYVOOCYCB-JTQLQIEISA-N 387.418 -0.303 5 20 GBBD Nc1c(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc(F)cc1[N+](=O)[O-] 265468828 OOYFHWQLAVMUCI-GFCCVEGCSA-N 395.391 -0.021 5 20 GBBD CC[C@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 270150607 VVQNANMCFNUDJT-IUODEOHRSA-N 377.361 -0.257 5 20 GBBD Cn1c(=O)c2c(ncn2C[C@H](O)COc2ccccc2[N+](=O)[O-])n(C)c1=O 272916714 HRMRKBSHXFIGIA-JTQLQIEISA-N 375.341 -0.218 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 272939643 OVIWVDRHDCTROE-PWSUYJOCSA-N 381.341 -0.532 5 20 GBBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)Cn2cnnn2)CC1 276049642 IMONYQXSHKRQRP-UHFFFAOYSA-N 395.401 -0.666 5 20 GBBD CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280773793 MSVDUMPDOSVYOG-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 363949635 BGHKJPGMXBNYSZ-SNVBAGLBSA-N 379.416 -0.084 5 20 GBBD Cc1c(Cl)cc(S(=O)(=O)N2CCN(CC(N)=O)C(=O)C2)cc1[N+](=O)[O-] 416540669 BGCTYVJXHDRWOU-UHFFFAOYSA-N 390.805 -0.125 5 20 GBBD CCN1CCN(CCc2noc(CCn3cc([N+](=O)[O-])cn3)n2)C(=O)C1=O 460815568 NEMQWIZJTMLJRU-UHFFFAOYSA-N 377.361 -0.350 5 20 GBBD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 487369100 UVFABIIHOSAXFN-BDAKNGLRSA-N 391.406 -0.454 5 20 GBBD CNC(=O)CNC(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 501327034 KUFNJSXAYGJJDW-UHFFFAOYSA-N 387.352 -0.129 5 20 GBBD CN1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 522581654 XWHBJZHYCHHVJG-NSHDSACASA-N 384.414 -0.142 5 20 GBBD COC(=O)[C@@H]1CNCCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 592553773 JGPDBKYAYMYDHV-ZDUSSCGKSA-N 385.398 -0.025 5 20 GBBD NC(=O)[C@@H]1CCCN1CCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] 599130924 MJCDLSOOBMTRHH-LBPRGKRZSA-N 379.421 -0.027 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 610590015 PWILOVDSMVEIQR-OTYXRUKQSA-N 383.386 -0.011 5 20 GBBD Cn1cc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 611941164 BYWTXDUJCMVAIH-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 783325374 XVMJOLPBRLKOCC-NSHDSACASA-N 384.414 -0.058 5 20 GBBD Cn1c(=O)c2nc(COC(=O)c3cc(F)cc([N+](=O)[O-])c3N)[nH]c2n(C)c1=O 785212198 KXUXPPAPJIKFCT-UHFFFAOYSA-N 392.303 -0.053 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCc1nnnn1C1CC1 796273948 HRZDBEAUTPBCGK-UHFFFAOYSA-N 382.358 -0.062 5 20 GBBD O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@@H]2CC(=O)N(CCCO)C2=O)CC1 840738715 XDPMJSKHPYXZTE-LLVKDONJSA-N 396.425 -0.076 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 1261165574 VCIXNIVWOWDLJV-BLLLJJGKSA-N 381.389 -0.296 5 20 GBBD O=C(CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)Nc1ccccc1[N+](=O)[O-] 1336619455 JWNGSOTYZRZCOJ-CABCVRRESA-N 398.441 -0.691 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1589727678 LMTVHYNSOSPYPF-UHFFFAOYSA-N 397.421 -0.465 5 20 GBBD C[C@@H](COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[N+](=O)[O-] 1589976605 KGCVSJGUXUKMLZ-DTWKUNHWSA-N 384.374 -0.258 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1793425886 MNNIVBBQLBSLPU-ZVXAKGHKSA-N 394.384 -0.098 5 20 GBBD CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794005980 BRXNSIVLRCFMRL-FVCICTRLSA-N 395.416 -0.193 5 20 GBBD NCC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833785393 RDUIHWLUYISALV-UHFFFAOYSA-N 393.448 -0.678 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842211572 CEAWSDMFSWMAKZ-UHFFFAOYSA-N 388.340 -0.152 5 20 GBBD C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 68737541 BZTOOIAEPQBUTN-SNVBAGLBSA-N 385.398 -0.025 5 20 GBBD O=C(Cn1ccc(O)nc1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 265787834 ARJZYNPLJSFGIC-UHFFFAOYSA-N 387.352 -0.158 5 20 GBBD O=C1CN(CCNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1 297243714 IWXAQUVJPRJVOU-UHFFFAOYSA-N 377.405 -0.747 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)CO 297604936 AXENVRWRXHKJDQ-KGLIPLIRSA-N 394.428 -0.166 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 298801468 RNQRFPIWDDNKBS-UHFFFAOYSA-N 399.429 -0.585 5 20 GBBD O=C(NCC1(O)CCC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 378615577 JWALRSWQDHLHIF-AAEUAGOBSA-N 399.425 -0.250 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] 425225315 OZOZAQSSZQFGOI-SNVBAGLBSA-N 385.354 -0.193 5 20 GBBD O=C(C(=O)N1C[C@@H](O)[C@H](CO)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 460010655 HHKAXPOLBOREPL-SWLSCSKDSA-N 378.385 -0.945 5 20 GBBD COC[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 484367545 CMTFDMNWHIVYNS-LBPRGKRZSA-N 389.386 -0.433 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 484542408 IZICPEXSHRJVOK-SECBINFHSA-N 398.440 -0.075 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H]1CS(=O)(=O)CCO1 512161892 IBWPACWIOCQABO-VIFPVBQESA-N 397.365 -0.879 5 20 GBBD CNc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 523374316 PRDWHPMYWHRJPL-LSDHHAIUSA-N 398.441 -0.448 5 20 GBBD Cn1cnnc1COCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 555538009 QLHNRPFKZIMKKM-UHFFFAOYSA-N 398.401 -0.665 5 20 GBBD CO[C@@](C)(C(=O)O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 595994591 IUJKEBSBEVEITG-CYBMUJFWSA-N 375.359 -0.521 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 598030933 VNAQUFQPLPOEHB-GXSJLCMTSA-N 392.411 -0.460 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 599938084 LSBXRQCJSXSRCT-NWDGAFQWSA-N 388.380 -0.142 5 20 GBBD NS(=O)(=O)c1cccc(NCCS(=O)(=O)N2CCOCC2)c1[N+](=O)[O-] 758851413 BWYYAZVMXKEUNQ-UHFFFAOYSA-N 394.431 -0.684 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 826425715 PVYYUVZUPMGXQJ-LBPRGKRZSA-N 385.344 -0.034 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(C(=O)N2CCOCC2)CC1 1318092789 FRHZXXGWRPGDIX-UHFFFAOYSA-N 378.385 -0.146 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC2(CCOCC2)C1 1347106723 XXNRMGMMZJMOCH-UHFFFAOYSA-N 381.389 -0.437 5 20 GBBD O=C(Cn1nccn1)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780420251 QEYJVMRGPWPMKA-INIZCTEOSA-N 389.372 -0.342 5 20 GBBD CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800475653 IKTNVLAUSWXMAK-QHBPRCKVSA-N 379.373 -0.640 5 20 GBBD CCNC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389833 IWLBPZUIZZDREU-SNVBAGLBSA-N 393.404 -0.158 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 267256777 SOFCLFURGQLNGC-UHFFFAOYSA-N 387.374 -0.451 5 20 GBBD CN(CCO)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 267861249 AJYDTCBNRFSLMG-UHFFFAOYSA-N 386.430 -0.648 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1CO 274939311 NGOGTTYCRODKCA-RYUDHWBXSA-N 388.402 -0.990 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 276119055 BAANKXXOZACHFE-UHFFFAOYSA-N 390.356 -0.597 5 20 GBBD CS(=O)(=O)C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 279212732 BZFJWGSWMXZEDS-UHFFFAOYSA-N 391.427 -0.434 5 20 GBBD CS(=O)(=O)NCC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 441225563 JKNSWULPRFKZLF-JSGCOSHPSA-N 375.451 -0.054 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)OC)c([N+](=O)[O-])n1 468897708 JPLYTWCRYGDKRR-QMMMGPOBSA-N 378.363 -0.416 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H](O)[C@@H]1CCOC1 475532147 REPFPIDKRKZOLC-RISCZKNCSA-N 387.414 -0.223 5 20 GBBD COC(=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC 599476806 LYCKBJAYKVDDIG-UHFFFAOYSA-N 389.386 -0.049 5 20 GBBD Cc1nc(S(=O)(=O)NCCC(=O)OCCn2ccc([N+](=O)[O-])n2)cn1C 748119982 FRVXOCGWAWYOMG-UHFFFAOYSA-N 386.390 -0.255 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c(C)c([N+](=O)[O-])c1 753851180 PORGEKJDBORRIL-UHFFFAOYSA-N 393.312 -0.446 5 20 GBBD C[C@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1C 1323905139 KLCLPCSPRNYUQY-RYUDHWBXSA-N 380.405 -0.187 5 20 GBBD CN(CCNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 1327821642 AMISGSJQESCJID-UHFFFAOYSA-N 398.441 -0.305 5 20 GBBD C[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801359013 UUKTUOGOZHUEIU-RVMXOQNASA-N 378.385 -0.225 5 20 GBBD O=C(CN1C(=O)CNC1=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844827810 IEHMEZYLKNNQGN-UHFFFAOYSA-N 390.356 -0.708 5 20 GBBD CN1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 57405060 IEKMJLYVXGABNX-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 69552239 GBGLAZRCTAPGPZ-UHFFFAOYSA-N 388.402 -0.014 5 20 GBBD O=C(O)[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1(=O)=O 424257719 NJDSGZGKYXLNNX-GFCCVEGCSA-N 386.338 -0.310 5 20 GBBD COc1ccc(NC(=O)CCN2CCN(CC(N)=O)C(=O)C2)c([N+](=O)[O-])c1 459736416 VYTHBWKFWWCKJB-UHFFFAOYSA-N 379.373 -0.439 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1nnnn1C 477081083 FKRXRWLMTXGICF-MRVPVSSYSA-N 383.390 -0.121 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 488924020 KUQCWINMKFQHIH-SNVBAGLBSA-N 378.341 -0.210 5 20 GBBD COc1cc(S(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)ccc1[N+](=O)[O-] 507909029 PDAUPTZZTIOJHF-VIFPVBQESA-N 380.400 -0.305 5 20 GBBD Cn1cc(S(=O)(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)c(=O)n(C)c1=O 547911453 NCMXAJDWWYJWTR-UHFFFAOYSA-N 384.326 -0.509 5 20 GBBD Cn1nnc2c1CC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 594402557 ROXJQZXZLNBFOW-JTQLQIEISA-N 394.413 -0.325 5 20 GBBD Cc1nc(=NC(=O)Cn2cc([N+](=O)[O-])cn2)n(-c2ccc(-c3nn[nH]n3)cc2)[nH]1 737480505 OWRAHUFEYHLSHX-UHFFFAOYSA-N 395.343 -0.079 5 20 GBBD C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840672733 PLXPXSWPULRVEO-RLCGTCKNSA-N 383.382 -0.180 5 20 GBBD C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1576374346 IAVCUGCAPWLIMD-PSASIEDQSA-N 384.374 -0.455 5 20 GBBD CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783358520 VLHAXHFSVFIDPZ-GVXVVHGQSA-N 394.384 -0.083 5 20 GBBD CNCCCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842917921 HGGKKSVQVLDBGE-UHFFFAOYSA-N 391.428 -0.041 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NC(N)=O)CC1 16520578 UANHHAIPLVADKY-UHFFFAOYSA-N 385.402 -0.596 5 20 GBBD C[C@H](Cn1cncn1)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 263744992 PAMCCMWQTYPBCD-LLVKDONJSA-N 397.417 -0.148 5 20 GBBD COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 264418377 VXTRNDVMTKTHOV-SECBINFHSA-N 389.386 -0.123 5 20 GBBD Nc1c(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cccc1[N+](=O)[O-] 267252510 LPRAOOOKUBKODL-LBPRGKRZSA-N 377.401 -0.160 5 20 GBBD COCCOCCS(=O)(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 269805609 VHXWYWYYWKUQII-KBPBESRZSA-N 378.403 -0.429 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CN2CCN1CC2 276304231 DIVLOEHNQHBUDH-LBPRGKRZSA-N 384.414 -0.341 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOCCS(N)(=O)=O 288841907 DHZYZPFEJZKSSO-UHFFFAOYSA-N 383.404 -0.813 5 20 GBBD Cc1c(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] 471317492 PFSYWPDYBKCFMJ-HZPDHXFCSA-N 397.453 -0.252 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CC(CC(N)=O)C3)c([N+](=O)[O-])c2)CC1 480785739 IWOVPMAEVUJUPN-UHFFFAOYSA-N 397.457 -0.158 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 522728691 QLXUNTQKSWUSNF-HNNXBMFYSA-N 393.400 -0.243 5 20 GBBD O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 525186081 NJMQCEKSXVTFNL-UHFFFAOYSA-N 399.429 -0.845 5 20 GBBD C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NCCN(C)C 570814697 QJLKERLQXOZOTR-JTQLQIEISA-N 391.384 -0.627 5 20 GBBD CNS(=O)(=O)N1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 571545782 MOAJIVWNYIRCLF-UHFFFAOYSA-N 378.432 -0.416 5 20 GBBD Nc1ncc2c(n1)CCN(C(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 573554724 LKUMUKVVZGBZTQ-UHFFFAOYSA-N 382.336 0.148 5 20 GBBD CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593592363 YOMHSRUKBVVRCA-MWLCHTKSSA-N 378.432 -0.014 5 20 GBBD CCOC(=O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 611859688 LQJXRWMZLVEWBP-LBPRGKRZSA-N 389.386 -0.697 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 732074839 VTUMLZJRBKQCBI-LBPRGKRZSA-N 392.368 -0.361 5 20 GBBD COC(=O)CN(CC(=O)O)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 737614810 FHVPQDNMJXHIKQ-UHFFFAOYSA-N 380.313 -0.120 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821932728 QFGSGKXTKJJACQ-UHFFFAOYSA-N 397.421 -0.841 5 20 GBBD O=C(O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 852958542 NLMBZKFLKGMRNK-SCZZXKLOSA-N 393.278 -0.086 5 20 GBBD CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783188755 JPJGXNINUFGAEJ-INIZCTEOSA-N 394.388 -0.712 5 20 GBBD CC(C)(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792913937 KIHWNLKNLCINGH-NOHGZBONSA-N 395.416 -0.072 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1837794296 MJYLSKWPEXLVJC-CQSZACIVSA-N 389.315 -0.347 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)n[nH]1 1848162285 SJBLWSXSLAITPM-RYUDHWBXSA-N 375.345 -0.264 5 20 GBBD COC(=O)CC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 288493319 ARRDQFVKMICQHJ-JTQLQIEISA-N 388.402 -0.730 5 20 GBBD CN[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 423597149 SXQKLDXSHAZXIY-ZDUSSCGKSA-N 376.417 -0.151 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424370377 SWBIRPSTONBISW-LLVKDONJSA-N 378.384 -0.224 5 20 GBBD CC(C)c1[nH]nc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] 433945254 DQHZLFNWYXXJCU-VIFPVBQESA-N 387.418 -0.183 5 20 GBBD CC(C)N1C(=O)C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O 434384845 FKCREXWHQALPNM-LLVKDONJSA-N 390.352 -0.028 5 20 GBBD CC[C@@H](C)[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 514720567 XFGXOJRADFKZAI-DGCLKSJQSA-N 382.421 -0.089 5 20 GBBD Nc1nsc(N2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC2)n1 596157374 YTEXZPFSDOFMKN-UHFFFAOYSA-N 385.431 0.003 5 20 GBBD CCn1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c([N+](=O)[O-])n1 611105566 KGCNPRGKGPOLBA-UHFFFAOYSA-N 381.436 -0.485 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 760035238 GUHDGKIRWVDFCA-ZYHUDNBSSA-N 381.341 -0.056 5 20 GBBD Cn1nncc1C(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 803516199 TUFTYPRDMZHEDX-UHFFFAOYSA-N 383.342 -0.572 5 20 GBBD CN(CC(F)F)C(=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1321964008 QTGHGWVLAIWQKT-UHFFFAOYSA-N 394.356 -0.287 5 20 GBBD COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829479718 BSRPIYMHJPLLSM-MRXNPFEDSA-N 383.357 -0.096 5 20 GBBD C[C@@H]1OCC[C@H]1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 275983275 FEUAYUXNXITLTM-CMPLNLGQSA-N 393.443 -0.030 5 20 GBBD CS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 299069379 XEWVIUUYJDNYQW-UHFFFAOYSA-N 391.427 -0.528 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 425614968 YKDUAEPOWGKFBK-LLVKDONJSA-N 376.373 -0.031 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCCn1cc(CO)nn1 426677039 ITBMDRBHNNUSGB-UHFFFAOYSA-N 391.388 -0.316 5 20 GBBD Cc1c(C(=O)NCCn2cc([N+](=O)[O-])cn2)cnc2c1c(=O)n(C)c(=O)n2C 439170671 QJEMTYQZOQGIEB-UHFFFAOYSA-N 387.356 -0.525 5 20 GBBD COCCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 440312385 HBXYIAKZFSGGNQ-JSGCOSHPSA-N 376.435 -0.322 5 20 GBBD CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)C1 532676041 BPXZVLOCNHLFGQ-LLVKDONJSA-N 375.407 -0.099 5 20 GBBD COc1cc(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1C 547840328 DGRWWLAXZOITRY-UHFFFAOYSA-N 398.401 0.437 5 20 GBBD Cc1nn(C)c(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 609522377 FJUXBFYOULHEDA-CYBMUJFWSA-N 394.432 -0.358 5 20 GBBD CC(C)(C)OC(=O)N1CC(NC(=O)CCn2cc([N+](=O)[O-])cn2)(C(N)=O)C1 763818456 JLRBTNRJPCJCJN-UHFFFAOYSA-N 382.377 -0.228 5 20 GBBD CN1CCN(C(=O)CCNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1340463382 AMQYYJFVWICXGA-UHFFFAOYSA-N 391.428 -0.466 5 20 GBBD COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@H]21 1604959907 RQEODHOXVAHBNS-VROVMSAKSA-N 394.369 -0.186 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)C(=O)C1CC1 1792898108 ZIJNNGJOLFWINS-JGPRNRPPSA-N 377.357 -0.500 5 20 GBBD O=C1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CN1 1847318620 NEDKCQWTUBCGQW-XBFCOCLRSA-N 390.400 -0.481 5 20 GBBD COc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 275197264 YMQURRWWBYBZQG-SNVBAGLBSA-N 394.383 -0.524 5 20 GBBD C[C@@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC(=O)NC1 282023691 WVJYDQOUCOWNTA-OAHLLOKOSA-N 384.414 -0.094 5 20 GBBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)c1C 288816147 AZQNMKLATCSILJ-UHFFFAOYSA-N 380.448 -0.114 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O 299631399 IUZIVRMLCWNARE-DYZYQPBXSA-N 389.368 -0.134 5 20 GBBD O=C(NCCN1CCNCC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 419878125 XRZNDJSMJSOBGM-UHFFFAOYSA-N 390.444 -0.735 5 20 GBBD Cc1[nH]c(=NCC2(O)CCOCC2)[nH]c(=NCC2(O)CCOCC2)c1[N+](=O)[O-] 475720230 JNZHZWLNVHLWJM-UHFFFAOYSA-N 397.432 -0.556 5 20 GBBD CC(C)[C@H](C(=O)O)N1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 478991074 MUCLLHGCJQPHGJ-BXUZGUMPSA-N 380.357 -0.417 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] 493888915 QNTNAKPUAUZXPN-ZETCQYMHSA-N 383.379 -0.206 5 20 GBBD C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 512058736 QCEDCELRODBBLT-OKILXGFUSA-N 393.448 -0.165 5 20 GBBD CNc1nccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] 568545603 WRNFDAQHOTUUSU-UHFFFAOYSA-N 376.373 -0.406 5 20 GBBD COC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 581296391 BMQRXGUZGWLNRV-CQSZACIVSA-N 393.400 -0.488 5 20 GBBD CNc1nccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 581437707 UFVICHFGKZJQAJ-UHFFFAOYSA-N 376.417 0.412 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@](O)(CC(N)=O)C1 591674884 ZBFKTQHTRHAHAY-PIGZYNQJSA-N 378.385 -0.058 5 20 GBBD C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NCCN(C)C 594359357 DIOMIPODDLAAMV-SNVBAGLBSA-N 386.430 -0.206 5 20 GBBD CN(C)S(=O)(=O)c1cnn(CC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)c1 737406219 ONABRSWRLZXOPP-UHFFFAOYSA-N 381.370 -0.002 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CN(C(=O)O)C1 831692774 BCHZSVSDHCMLCU-UHFFFAOYSA-N 387.374 -0.466 5 20 GBBD Cc1nnc(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1C 1323714185 BWYVDMMGVQJOQO-UHFFFAOYSA-N 387.400 -0.003 5 20 GBBD Cn1c(CS(C)(=O)=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1346158585 LATALJDBFFNGHP-UHFFFAOYSA-N 381.418 -0.011 5 20 GBBD C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1)[C@H]1CN(C)CCO1 1589974845 SHMUNJZSPRPCQA-BXKDBHETSA-N 397.417 -0.228 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781540099 IKGWKMHWMVBOQE-YVEFUNNKSA-N 393.400 -0.970 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796403297 GCMKLOHUXZDALP-JGPRNRPPSA-N 377.357 -0.500 5 20 GBBD NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799877166 JGHPAJUFUMPLEQ-KEODLESXSA-N 388.384 -0.367 5 20 GBBD CN(CC(N)=O)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 148443252 VJGCVJICWVKRBG-LLVKDONJSA-N 384.414 -0.061 5 20 GBBD C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 264724253 GZTKUIKMKUMWBE-SNVBAGLBSA-N 394.348 -0.441 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](O)C1 298082917 GYSKXUFDEWOLFT-DYEKYZERSA-N 399.425 -0.298 5 20 GBBD NC(=O)CN1CCCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 363809762 BYSMLLCIBRUCDX-UHFFFAOYSA-N 395.441 -0.195 5 20 GBBD N[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 423379247 MUGBOOPRRPDPMX-AWEZNQCLSA-N 389.412 -0.171 5 20 GBBD NC(=O)NC1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 480905700 BJYICLQEHBZBJY-UHFFFAOYSA-N 399.429 -0.078 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CCN2C1=O 517395914 VHFQTBRDLOHHGM-IJLUTSLNSA-N 391.384 -0.437 5 20 GBBD C[C@H](NS(C)(=O)=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541751226 KDXWCYFAXTZGAQ-VIFPVBQESA-N 379.416 -0.578 5 20 GBBD C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 555559111 HIFHJQJQHOBZJI-LLVKDONJSA-N 385.446 -0.392 5 20 GBBD O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCNCC1 576703035 JWFIXEIJSAAHOL-UHFFFAOYSA-N 379.398 -0.147 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2)n1 599209906 RLEWPOWHIITNDB-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD CCOC(=O)c1ccnc(N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] 609964601 LTEABVFDLUIKFG-UHFFFAOYSA-N 390.360 -0.498 5 20 GBBD COc1ccc(C(=O)NCC(=O)OCCCS(N)(=O)=O)cc1[N+](=O)[O-] 741829389 HXWKRCSFEZFDKQ-UHFFFAOYSA-N 375.359 -0.445 5 20 GBBD O=C(C(=O)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 749661097 DTDWPAIXCNDGLJ-INIZCTEOSA-N 392.412 -0.369 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c1 761416068 HBVIAFRKPROCPD-UHFFFAOYSA-N 385.358 -0.988 5 20 GBBD Cc1nn(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] 779859901 MTILKBKJCBEAOL-UHFFFAOYSA-N 387.466 -0.833 5 20 GBBD C[C@H](C(=O)N1CCOC[C@@H]1C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 825990585 NRVYMLFOBIQDFI-LDYMZIIASA-N 377.309 -0.109 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 913301556 HTQULXAQMKWSJH-UHFFFAOYSA-N 391.340 -0.088 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1CCN(c2ncccn2)CC1 1352241898 CMAWWNGQNGXMDN-UHFFFAOYSA-N 387.400 -0.515 5 20 GBBD NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 1790215268 VKSMKSBSYWOZTM-LKTVYLICSA-N 378.385 -0.148 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)O)n1 1800749839 UPOPCHTVMIBGMA-NJBDSQKTSA-N 394.384 -0.418 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] 298741234 RQFUQTYTGQWZJI-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD Cn1c(O)ncc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 435213640 BJCXUYNQGPUSKM-UHFFFAOYSA-N 397.369 -0.898 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 447922126 OAAJJDDKYXJLJA-GFCCVEGCSA-N 378.341 -0.134 5 20 GBBD COC(=O)[C@H]1COCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 471745400 HXLJBUYXOJYKIQ-CYBMUJFWSA-N 380.357 -0.206 5 20 GBBD COC(=O)CNS(=O)(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 481802522 XYIAVJNMXDFJME-UHFFFAOYSA-N 397.369 -0.119 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H](O)C(F)F 489606672 QUDSCZDWJNQXSY-VIFPVBQESA-N 382.345 -0.202 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1 558217601 NRDJHIQERPLLDA-LBPRGKRZSA-N 389.416 -0.551 5 20 GBBD C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 580535392 HRAFFSZFEARHPA-QMMMGPOBSA-N 391.427 -0.062 5 20 GBBD C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C 824999205 DWAFDBJBBZVFDH-VIFPVBQESA-N 399.375 -0.351 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1nn[nH]n1 826499901 DEYFEAWJYWEAAB-SSDOTTSWSA-N 388.387 -0.760 5 20 GBBD Cn1cc(S(=O)(=O)NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cn1 920324944 RYRPHCSFYOBEMT-UHFFFAOYSA-N 388.383 -0.150 5 20 GBBD COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCO1 1591256026 YLAONXQJRLGNKQ-SNVBAGLBSA-N 398.357 -0.663 5 20 GBBD O=C(NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1593021394 YHAYJBYRLIALNY-DGCLKSJQSA-N 391.363 -0.666 5 20 GBBD C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787478089 QELLHPSONGILPS-RHYQMDGZSA-N 394.388 -0.954 5 20 GBBD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2)c1ccc([N+](=O)[O-])[nH]1 1821736987 QXAIZXQYKFTLOO-ZCFIWIBFSA-N 381.370 -0.084 5 20 GBBD O=C1CNC(=O)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])[nH]1 1848033946 ATCDRKKHQCNSAD-QWRGUYRKSA-N 390.356 -0.710 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 22276106 QCHJKAWQIZXYEQ-NSHDSACASA-N 387.370 -0.344 5 20 GBBD CNS(=O)(=O)c1ccc(NCCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 60874814 DVENVILTGUXMPX-UHFFFAOYSA-N 378.432 -0.050 5 20 GBBD Cn1nnc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 278537312 JIOBSHDKVNEFHS-UHFFFAOYSA-N 384.374 -0.282 5 20 GBBD CNC(=O)CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 298792418 UAFIWVXMYCZQOD-UHFFFAOYSA-N 395.441 -0.324 5 20 GBBD C[C@@H](CN)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419944981 BTMQMQXDIQBEFD-LBPRGKRZSA-N 377.401 -0.410 5 20 GBBD COc1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c([N+](=O)[O-])cc1OC 424249987 JABBLWYYRFEJSE-LBPRGKRZSA-N 388.354 -0.064 5 20 GBBD C[C@H]1OCC[C@]1(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 447748020 VJLNNHPXKAQTRK-ABAIWWIYSA-N 387.414 -0.081 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CO)CC1 469360748 POBWJYHEQCSBEI-UHFFFAOYSA-N 387.370 -0.793 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[S@@](=O)C1 475139285 OUOAZVAKQWZETP-VKTRGTBVSA-N 390.443 -0.307 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 479980633 CTFWQPNSXLDSPD-UHFFFAOYSA-N 375.407 -0.548 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNC(=O)c1cc[nH]n1 505200001 VPSJVZRMNXZDPR-UHFFFAOYSA-N 376.329 -0.189 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 538929209 ZEHXRORSCUTMOD-SECBINFHSA-N 378.432 -0.240 5 20 GBBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(=O)N1CCNCC1 561230592 JGJOVOUWAVREAG-UHFFFAOYSA-N 397.819 -0.545 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 576256719 RWVWHCSVXZGOAZ-ZDUSSCGKSA-N 376.439 -0.987 5 20 GBBD CN(CCN1CCCS1(=O)=O)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 612660640 GOUWUNUQNDDCIW-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 816713459 PROMIYUTCWTXPL-UHFFFAOYSA-N 379.420 -0.549 5 20 GBBD CS(=O)(=O)N1CCC(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1326542027 NGNOBJNVDVNROY-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781046385 IVXDJRLLCAZDDS-PLQHRBFRSA-N 393.400 -0.911 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]c1[N+](=O)[O-] 1847817236 GMICFYOYVKUKLW-VWYCJHECSA-N 399.429 -0.186 5 20 GBBD O=C(CN1CCCNC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66345508 HLMKPXYDZWATPP-UHFFFAOYSA-N 385.402 -0.595 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)C(=O)OC 268213106 AQGFHJCXSFWZHQ-SECBINFHSA-N 376.343 -0.014 5 20 GBBD O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 270133974 OYGFHUNFGFVGHM-INIZCTEOSA-N 381.341 -0.038 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 272879739 GPJVKVPRHHIFHS-ZDUSSCGKSA-N 397.457 -0.015 5 20 GBBD COc1cc(S(=O)(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] 278695460 JMWWCFMEUMNIIL-CQSZACIVSA-N 384.370 -0.034 5 20 GBBD Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 285275219 MZDWMJCDHHZEQI-JSGCOSHPSA-N 398.397 -0.595 5 20 GBBD COc1ccc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 288861932 GDOFDKXYBBNJQK-UHFFFAOYSA-N 382.420 -0.722 5 20 GBBD COCC[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OC 291990091 AFYPBVKRMRMNDM-JTQLQIEISA-N 379.325 -0.115 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424512979 WIUMFIVJWCLXKA-LBPRGKRZSA-N 399.381 -0.737 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] 425074690 ZPVHLXGXVQVGRI-SNVBAGLBSA-N 378.341 -0.403 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(CC(N)=O)C(=O)C1 459735550 UTDYGCCQHRRHLV-UHFFFAOYSA-N 379.373 -0.439 5 20 GBBD CNC(=O)[C@H]1CN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CCO1 781574915 IQHKZYOVAQHQJV-DYVFJYSZSA-N 391.384 -0.234 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821315477 UZYCIWMPJSLRGH-UHFFFAOYSA-N 376.333 -0.618 5 20 GBBD O=C(Cc1cc[nH]n1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779388898 KUICNDZKSGCAFS-INIZCTEOSA-N 389.372 -0.273 5 20 GBBD Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798745220 DUMJUYBKLGMDBD-WDAIWFPHSA-N 389.372 -0.134 5 20 GBBD CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799159 UNBFZUGFJIHYAY-BZNIZROVSA-N 397.388 -0.577 5 20 GBBD CNC(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 53572840 CDUFINWWYSGXMD-UHFFFAOYSA-N 375.385 -0.118 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 115835218 AOHGEZXJSHUUDF-UHFFFAOYSA-N 386.430 -0.333 5 20 GBBD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])cnc1O 264936722 PJMSWILBPHLKFD-NSHDSACASA-N 388.402 -0.086 5 20 GBBD NC(=O)C1=NO[C@H](CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 276233658 KAWOSYOZQROZAX-QMMMGPOBSA-N 381.370 -0.468 5 20 GBBD C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1 297104302 GCQNHNWLDBYTAY-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD CC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298330688 ZZXRBEKRVSCKOD-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCC[C@H](C(=O)NCCN)C2)cccc1[N+](=O)[O-] 419759016 LPXWXGDBQUWACJ-AWEZNQCLSA-N 391.428 -0.167 5 20 GBBD COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(=O)OC 469316693 YJZMQUHGEOJDRS-JTQLQIEISA-N 376.343 -0.152 5 20 GBBD COC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 484306952 DJHMONJVWVEMCG-GFCCVEGCSA-N 389.386 -0.433 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O 516260490 HOQCXNAJMFXPPS-JTQLQIEISA-N 398.397 -0.473 5 20 GBBD C[C@H](NS(C)(=O)=O)C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 550105754 AQIJXKHFBRFPHW-JTQLQIEISA-N 396.429 0.394 5 20 GBBD CN1CC[C@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)S1(=O)=O 592619117 MJOLFZRBXKXBRF-GFCCVEGCSA-N 391.427 -0.481 5 20 GBBD Cn1nncc1C(=O)COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 803318237 QXZMMCFJMVWWBT-UHFFFAOYSA-N 397.369 -0.182 5 20 GBBD Cc1c(CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)cccc1[N+](=O)[O-] 1327825384 URZXXEPYORUNNH-UHFFFAOYSA-N 386.430 -0.083 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCCOCC2)c1-c1nn[nH]n1 1593486012 YLBSTBVHBGIZCW-UHFFFAOYSA-N 397.417 -0.225 5 20 GBBD C[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1781988287 SXAVQQNQXMJJMI-SUYBPPKGSA-N 395.416 -0.314 5 20 GBBD CC[C@H](NC)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824220 QCUGVWNHORHPRG-ZDUSSCGKSA-N 391.428 -0.042 5 20 GBBD CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 9107611 WSKPFAHPNIBVSJ-UHFFFAOYSA-N 388.402 -0.017 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 264377385 DQQLIXIHOAWMOK-OCCSQVGLSA-N 388.446 -0.160 5 20 GBBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])[nH]n2)CCN1C(=O)c1cc([N+](=O)[O-])[nH]n1 285667287 ZOAQITFMCFRJMU-ZETCQYMHSA-N 378.305 -0.064 5 20 GBBD Cc1nc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ncc1[N+](=O)[O-] 296657735 XZXSQISFGLMTHL-UHFFFAOYSA-N 385.450 -0.693 5 20 GBBD COc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1[N+](=O)[O-] 444826171 NJEYDFKVPOSCQY-CHWSQXEVSA-N 399.425 -0.481 5 20 GBBD CO[C@H](CN)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 447478112 KUGWDPLCFCLGGR-ZDUSSCGKSA-N 386.430 -0.209 5 20 GBBD CNc1nccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1[N+](=O)[O-] 553344176 NYAGBWYNDAUAPG-UHFFFAOYSA-N 386.368 0.177 5 20 GBBD COC[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 555373754 UADNLQPMGBTGEN-JTQLQIEISA-N 375.359 -0.498 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(n2cnnn2)CC1 596920125 QUGWVYIQEYTDBA-UHFFFAOYSA-N 381.374 -0.835 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)n1 599246015 XYTULJUMWSRANN-SNVBAGLBSA-N 394.413 -0.016 5 20 GBBD Cn1cc(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 609725365 DEIUZXGSLJMPFB-UHFFFAOYSA-N 381.370 -0.394 5 20 GBBD O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cc([N+](=O)[O-])c[nH]1 609821286 KVAWGYMFPXRAEB-UHFFFAOYSA-N 387.418 -0.306 5 20 GBBD COCCN(CC(=O)O)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 610891147 XIWHYBUZKNIVLX-UHFFFAOYSA-N 389.386 -0.177 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 1118221214 PSWQMFKAFFFZBU-STQMWFEESA-N 379.369 -0.098 5 20 GBBD CN(CCNS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 1334601437 BJSAMNWOKDHYJY-UHFFFAOYSA-N 380.448 -0.170 5 20 GBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCn1cnc(-c2nn[nH]n2)n1 1609603588 OQUNLMKFLFJFJN-SNVBAGLBSA-N 375.349 -0.604 5 20 GBBD CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783188758 JPJGXNINUFGAEJ-MRXNPFEDSA-N 394.388 -0.712 5 20 GBBD NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21 1786799216 HWEXGNZOILRMRR-HUBLWGQQSA-N 378.385 -0.148 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012329 RTZUREAIUUDZNI-GMTLJSCSSA-N 394.388 -0.954 5 20 GBBD CN1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 265874575 KFERRBBMGYFUQL-UHFFFAOYSA-N 385.402 -0.655 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 268802952 DZRLFNNKMHWNCQ-CQSZACIVSA-N 397.457 -0.015 5 20 GBBD C[C@H](C[S@](C)=O)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 273130724 SYQIXPDQXQYKDO-ZZDSUILFSA-N 392.459 -0.061 5 20 GBBD COC(=O)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 276827285 OCVTUAQNDPGNEL-MRVPVSSYSA-N 377.331 -0.068 5 20 GBBD COCCN(C)CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280844691 VIKSWIPXFGNDAB-UHFFFAOYSA-N 388.446 -0.042 5 20 GBBD O=C(C(=O)N1C[C@@H]2CCNC[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423591666 KPCDBSNPWWBNGM-UONOGXRCSA-N 388.428 -0.294 5 20 GBBD CN(C)CC(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 587165140 QLURJLCQLIFWMV-UHFFFAOYSA-N 376.417 -0.005 5 20 GBBD O=C(C(=O)N1CC[C@@H]2CCN[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 591572993 ZDLIAFSPJRNYDA-ZFWWWQNUSA-N 388.428 -0.151 5 20 GBBD NC(=O)c1ncn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 593405294 LFZOFBHSKVNXPV-UHFFFAOYSA-N 393.385 -0.669 5 20 GBBD C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)NC(N)=O 594214786 FVCYYWZDEZSHCT-LLVKDONJSA-N 399.429 -0.125 5 20 GBBD O=C(N[C@H]1C[C@H](O)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 598530067 NTEMDVJBGHIBAP-UZWSLXQKSA-N 385.398 -0.642 5 20 GBBD C[S@@](=O)CCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 609742851 KRPHYMLCTASHFS-XMMPIXPASA-N 392.459 -0.059 5 20 GBBD CC(C)[C@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 772063003 YXAQNSDSDYIGRP-CABZTGNLSA-N 388.402 -0.187 5 20 GBBD C[C@@H]1NC(=O)N(CCOC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O 837359718 MTLKQPAITDZZSP-VIFPVBQESA-N 392.324 -0.196 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCO[C@H]1C(=O)O 864212553 BBNCSIYXBHNXHK-RFAUZJTJSA-N 379.325 -0.074 5 20 GBBD COCCN(C)CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1117179713 BNIUTXIAJBNUME-UHFFFAOYSA-N 380.401 -0.121 5 20 GBBD NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1790853187 GBAKOWYJYUDGOR-GVXVVHGQSA-N 393.400 -0.218 5 20 GBBD O=C(NCCCn1cncn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66889319 SRXWZVNCVBTDKT-UHFFFAOYSA-N 397.417 -0.146 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCC1=O 69411303 OYMLTINGGSGLKV-SNVBAGLBSA-N 398.397 -0.473 5 20 GBBD CO[C@H](CN)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262943377 USLOWLUBKUGHJR-LBPRGKRZSA-N 386.430 -0.209 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 281861934 KFNIHKXMOZMKNR-UHFFFAOYSA-N 385.446 -0.247 5 20 GBBD O=C(NCCN1CCCS1(=O)=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 296461471 VWWGTAWMAJXPME-UHFFFAOYSA-N 398.445 -0.143 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(=O)NCC(F)F 421997622 XQWVCRYKHBUQMQ-UHFFFAOYSA-N 394.356 -0.287 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 481874379 LUDXSTMQQWKTHW-LBPRGKRZSA-N 380.405 -0.667 5 20 GBBD CN(C[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O 511090641 NFPAMLMEMCAFOE-JSGCOSHPSA-N 375.451 -0.244 5 20 GBBD Nc1nccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 547729837 BOKJTCVMANBDGG-UHFFFAOYSA-N 376.373 -0.521 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 593421113 VUUOTKNGYMBSTP-UHFFFAOYSA-N 388.421 -0.030 5 20 GBBD O=C(N[C@H]1C[C@@H](O)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 597410187 NTEMDVJBGHIBAP-XZUYRWCXSA-N 385.398 -0.642 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@@]2(CO)C1 782974917 ZPFNYFYFUHJSMQ-NHYWBVRUSA-N 384.414 -0.103 5 20 GBBD CNS(=O)(=O)CCNC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC 784706266 BYICGBKDIFEVJU-UHFFFAOYSA-N 375.359 -0.540 5 20 GBBD CN1CCO[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 826044817 KYYMZLODIDYSIA-SECBINFHSA-N 383.390 -0.616 5 20 GBBD C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 1322317005 VEBWYIZQPBZBMB-XJKSGUPXSA-N 394.428 -0.077 5 20 GBBD CC[C@@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403192 CEEWAUANTIVJJI-YGEZULPYSA-N 395.416 -0.072 5 20 GBBD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1798012136 XNLWMWIMXHCBKS-DDFAGTSDSA-N 377.357 -0.500 5 20 GBBD CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)C1 1801555943 DWSFCDGVXGJSFD-ZSBIGDGJSA-N 378.389 -0.917 5 20 GBBD N=C(N)NCC(=O)N1CCCC2(CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)C1 1809688825 FZYQCHDZSGXFKL-UHFFFAOYSA-N 392.420 -0.354 5 20 GBBD CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc(OC)ccc1[N+](=O)[O-] 1847763765 MCDQOFWWPXZWKA-QWRGUYRKSA-N 391.384 -0.050 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cnn(CC(=O)N2CCOCC2)c1 269100172 FZUOVOZHDFUJOP-UHFFFAOYSA-N 392.376 -0.332 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCN1 423161499 SBKXUTQGOKLDAN-NSHDSACASA-N 395.441 -0.239 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] 425225313 OZOZAQSSZQFGOI-JTQLQIEISA-N 385.354 -0.193 5 20 GBBD Cn1nnc(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n1 440693121 MXEJODZKXVJTKI-UHFFFAOYSA-N 381.418 -0.156 5 20 GBBD Cc1c(C(=O)NC[C@H]2CN(C)CCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 469969420 NRXGCOCVTSVUFJ-NSHDSACASA-N 385.446 -0.474 5 20 GBBD CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 590977866 DERGWOWSAMITIV-AWEZNQCLSA-N 377.401 -0.132 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC(O)(CO)CC1 598179426 YVOJQRJIYOVLJU-UHFFFAOYSA-N 387.414 -0.391 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 757323847 LUEBKNPQJLZYHU-UHFFFAOYSA-N 375.359 -0.081 5 20 GBBD COCCOCCS(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 782622755 XGVWSUQUAXUPPI-UHFFFAOYSA-N 389.386 -0.566 5 20 GBBD CCON(C)C(=O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 846504855 QVUBKUNDUKILAS-UHFFFAOYSA-N 388.402 -0.211 5 20 GBBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@H](CC(N)=O)C2)C1=O 863324899 MAVXWMYBROIIJA-DYVFJYSZSA-N 391.384 -0.105 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 1323277848 MOIIEFYONDYMEN-GFCCVEGCSA-N 384.414 -0.330 5 20 GBBD CN1CCC(N(C)CCN(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1323670893 ZPWDIBKNGOISQJ-UHFFFAOYSA-N 395.464 -0.608 5 20 GBBD CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1798749033 KSHLLTKCOMTVSG-JJLQDPRZSA-N 377.401 -0.312 5 20 GBBD CC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823821 SOAMQHPQHYKFQZ-CYBMUJFWSA-N 378.385 -0.269 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1cccc([N+](=O)[O-])c1 52995509 CGZBDUXOAVVOEW-LLVKDONJSA-N 385.398 -0.265 5 20 GBBD CN1CCN(CCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 282853722 BZMAZCKTDPYNFI-UHFFFAOYSA-N 385.446 -0.763 5 20 GBBD CCS(=O)(=O)C1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 456328876 ZHMHIPOGBZCCGZ-UHFFFAOYSA-N 391.427 -0.481 5 20 GBBD NC[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCO1 520809939 ADMUIVGRLGDWRY-ZDUSSCGKSA-N 386.430 -0.161 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCS1(=O)=O 572613607 HWUOURJZBUONIT-LBPRGKRZSA-N 391.427 -0.434 5 20 GBBD CN1C(=O)CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 594357078 QBIJMRCQFPHTTK-UHFFFAOYSA-N 384.370 -0.910 5 20 GBBD NS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609548026 PICOBEDNEACIHV-MRVPVSSYSA-N 376.416 -0.334 5 20 GBBD COCCCS(=O)(=O)N1CCC(OC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 774978479 LFHOXXFAZKOLGE-UHFFFAOYSA-N 391.406 -0.440 5 20 GBBD O=C(CN1C(=O)CNC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1318661014 LMBGEPJGRGSWAM-UHFFFAOYSA-N 375.341 -0.569 5 20 GBBD COC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793438576 TZHDYZNSAXFWRI-WISYIIOYSA-N 381.389 -0.196 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C1=COCC1 1801544128 YLGYNXCKQCQXDK-YWVIFJGQSA-N 391.384 -0.315 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)[C@@H](C)NC=O)C3)n1 1843586563 PJGZUMQBGXGXOO-LLVKDONJSA-N 391.384 -0.050 5 20 GBBD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C1 1847045499 CKZGXXIWSPEOSZ-ZDUSSCGKSA-N 379.392 -0.234 5 20 GBBD COc1ccc([C@@]2(C)NC(=O)N(NC(=O)Cn3cnc([N+](=O)[O-])n3)C2=O)cc1 53835808 QFNLNDXYMGKRDB-OAHLLOKOSA-N 389.328 -0.307 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](OC)C(=O)OC 291970345 QKUOCIKTXNVRBH-JTQLQIEISA-N 376.343 -0.152 5 20 GBBD C[C@H](CCN)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 420004625 ZIEHEYMOTZONME-GFCCVEGCSA-N 377.401 -0.267 5 20 GBBD COC(=O)Cn1cc(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)nn1 441999370 HFMVTAWFLZKRBB-UHFFFAOYSA-N 386.328 -0.130 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C[C@@H]12 489597576 SFOHETGTSBIRFG-NSHDSACASA-N 389.324 -0.917 5 20 GBBD C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCc2ncc([N+](=O)[O-])cc2C1 495445246 SDRLWQCRNDQVRI-VIFPVBQESA-N 388.384 -0.401 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 498779708 DMDYYPSTRQFBJW-LBPRGKRZSA-N 393.400 -0.554 5 20 GBBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 594619623 PHIYNSIARDHLKL-NWDGAFQWSA-N 388.384 -0.635 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CN(S(=O)(=O)N(C)C)C1 600708214 DOJOVGKWJYXJRO-JTQLQIEISA-N 399.429 -0.680 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 755276441 ONCJCMAZWKMUSI-LLVKDONJSA-N 383.386 -0.008 5 20 GBBD Cc1c(C(=O)N[C@H](CO)CN2CCCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 819837811 SGMPIDIAXXLBII-NSHDSACASA-N 386.430 -0.263 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 839336658 ODWLSWJCQVJIOY-GFCCVEGCSA-N 390.400 -0.673 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O 1117118302 GPWJQPKJGUMNFJ-LBPRGKRZSA-N 398.441 -0.254 5 20 GBBD CS(=O)(=O)NCCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1117274926 NOFWFPJZVIRBCQ-UHFFFAOYSA-N 384.414 -0.249 5 20 GBBD CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 1331024696 CPRXLIJHDZXGRQ-OAHLLOKOSA-N 389.412 -0.020 5 20 GBBD COCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792840501 UJSFSKGHBLTVAK-GNXNZQSNSA-N 381.389 -0.052 5 20 GBBD Cn1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2=O)cn1 267446532 ZTUFUFVJXLPGIY-UHFFFAOYSA-N 380.386 -0.171 5 20 GBBD Cc1nc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 273004892 QBIXQGPMXKSTTC-ONGXEEELSA-N 396.385 -0.216 5 20 GBBD COC(=O)[C@H]1COCCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 273048365 JCBHOMKDBMWVRZ-GFCCVEGCSA-N 381.341 -0.266 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 275892105 SDJMJCYZGLVGFD-CQSZACIVSA-N 397.409 -0.244 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 279040393 AANBNUCINRDRIX-QGHHPUGFSA-N 389.368 -0.086 5 20 GBBD O=C(CN1CCc2c1cccc2[N+](=O)[O-])NC(=O)N[C@@H]1CCS(=O)(=O)C1 299728628 VVKGNSLGDYXDDG-SNVBAGLBSA-N 382.398 -0.030 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 447934699 AIJQXPLUVJSDIZ-SNVBAGLBSA-N 391.333 -0.595 5 20 GBBD CNS(=O)(=O)N1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 451014929 NGZMCQQYTNSLGT-UHFFFAOYSA-N 399.429 -0.025 5 20 GBBD NC(=O)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 467595374 QZYBLTJHBJZKDA-MRVPVSSYSA-N 383.386 -0.038 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)O1 470808517 QCUPJYDNJXWIGE-VWYCJHECSA-N 380.357 -0.059 5 20 GBBD COC[C@@H](CO)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 480842435 DUHMBBKHZGIGEO-LLVKDONJSA-N 376.435 -0.146 5 20 GBBD COC[C@@](C)(O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 522118795 RHOGBQHDLDMRJK-AWEZNQCLSA-N 390.418 -0.430 5 20 GBBD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NCCn1cc([N+](=O)[O-])cn1 552127220 ZKLSDNJDLVFJJY-UHFFFAOYSA-N 393.385 -0.238 5 20 GBBD CNc1nccc(C(=O)NCCN2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] 570103788 BSPXGLXVPUAMCY-UHFFFAOYSA-N 386.416 0.374 5 20 GBBD CCNC(=O)CN1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 736573491 IZJPJYGAVLAYNE-UHFFFAOYSA-N 375.393 -0.182 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCOCCS(C)(=O)=O 743931301 CHKKMDCMLTXJOT-UHFFFAOYSA-N 389.386 -0.281 5 20 GBBD CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nn1 750390582 HHFLSAPNHGCIQK-UHFFFAOYSA-N 396.385 -0.466 5 20 GBBD Cn1ncc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 805996573 MWJCPNSDGGASSK-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD O=C1N[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 858137131 HGTBVEBYEWIERN-LLVKDONJSA-N 398.397 -0.074 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 859370830 KPZYRHRHHSYLAB-UHFFFAOYSA-N 396.422 -0.011 5 20 GBBD CCOC(=O)[C@@H]1CNCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 1326275307 ILVQHVLNUJBGNQ-AWEZNQCLSA-N 378.385 -0.003 5 20 GBBD CN(C)CCNC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1339955750 AGAIFQDKULADIX-UHFFFAOYSA-N 379.417 -0.327 5 20 GBBD Nc1cc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] 1606451439 RPRLFHPVXLVNDT-AWEZNQCLSA-N 395.401 -0.249 5 20 GBBD COCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403292 FNCDPQJXVVPVMX-PTEHBNRSSA-N 381.389 -0.052 5 20 GBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)O)ncc1[N+](=O)[O-] 1800748956 BRWZSPUPWMLCFH-OHTBPHCPSA-N 378.385 -0.118 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1 1817199763 KLNJZAAMDBFDHL-RQJHMYQMSA-N 394.417 -0.714 5 20 GBBD CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840209656 WGVJOOCDAMXVGJ-MEDUHNTESA-N 397.388 -0.577 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc(O)c([N+](=O)[O-])c1 273407080 HVVVZDNAIFGNSO-CYBMUJFWSA-N 378.385 -0.037 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=NN(CCO)C(=O)CC1 273415737 QTUCOPUFDQQBIZ-UHFFFAOYSA-N 398.397 -0.545 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 279540570 AKIWSNAFWCMUIT-HNNXBMFYSA-N 399.429 -0.220 5 20 GBBD O=C1O[C@H]2C[C@H]1N(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C2 297120260 GIQYXEMIETWDKC-GXSJLCMTSA-N 384.370 -0.418 5 20 GBBD Cc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1[N+](=O)[O-] 299611379 GQFIDTCKJZFBBT-ZIAGYGMSSA-N 383.426 -0.181 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 299646590 USORVTZWEHKQMD-LSDHHAIUSA-N 399.425 -0.412 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 369870843 GZEQTEXVEOIJFN-NSHDSACASA-N 399.429 -0.207 5 20 GBBD Cc1nc(N2C[C@H](C)O[C@H](CO)C2)nc(N2C[C@@H](C)O[C@@H](CO)C2)c1[N+](=O)[O-] 468736060 FPWLMJTXTUGKEL-WVWOOGAGSA-N 397.432 -0.135 5 20 GBBD NS(=O)(=O)c1ccc(N2CCC(C(=O)NCCCO)CC2)c([N+](=O)[O-])c1 492054361 MAEAADASJYECMV-UHFFFAOYSA-N 386.430 -0.043 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 511102088 QOIVFKCHUNHUGB-ZDUSSCGKSA-N 384.414 -0.006 5 20 GBBD CCn1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)c([N+](=O)[O-])n1 548545170 ZLWGMKHDALVNED-QMMMGPOBSA-N 375.363 -0.977 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCN3CCNCC3)CC2)c1 579124231 JBPYDHRGGDOOIP-UHFFFAOYSA-N 383.474 -0.194 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(CC(=O)NC3CC3)CC2)cc1[N+](=O)[O-] 589105882 KHZZTWOAGQJQIA-UHFFFAOYSA-N 383.430 -0.357 5 20 GBBD NS(=O)(=O)c1ccc(F)c(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 609679897 FJWKYPNYAGSBRE-UHFFFAOYSA-N 384.345 -0.141 5 20 GBBD NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 619839318 VQZCQNMLOQTYBH-UHFFFAOYSA-N 380.386 -0.072 5 20 GBBD CN1C(=O)NC2(CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CC2)C1=O 758015783 RWAQPHBIXKLYGL-UHFFFAOYSA-N 383.386 -0.237 5 20 GBBD COCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 804084255 QKXFBRZIIPVPEN-UHFFFAOYSA-N 393.444 -0.062 5 20 GBBD CN(C)C(=O)CCN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821575893 UFFCSOVQHNKHGP-UHFFFAOYSA-N 375.393 -0.230 5 20 GBBD CN1CCN(C(=O)CCNC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1323110290 BPMREJORYVIWRK-UHFFFAOYSA-N 389.412 -0.283 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 1332029313 ULPKUSNYIYTICY-GFCCVEGCSA-N 381.389 -0.248 5 20 GBBD O=C1COC[C@]2(CNc3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])COCCN12 1607047830 LSVPYHIWGNCGQQ-HNNXBMFYSA-N 375.345 -0.185 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792799198 KSLHHMKDWGNIHE-WDAIWFPHSA-N 397.359 -0.444 5 20 GBBD CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795112187 HJWDPSCXVACKQS-DRXBFXEBSA-N 378.385 -0.244 5 20 GBBD O=C1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nc[nH]c2[N+](=O)[O-])CN1 1847321607 PSYNVHJASMWVEG-DCAQKATOSA-N 376.373 -0.341 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 22530448 OQJSSBUHYHACHC-UHFFFAOYSA-N 392.459 -0.025 5 20 GBBD O=C(NC[C@H](O)C1CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272772155 HLAYKIJTQIIPFB-UBHSHLNASA-N 399.425 -0.394 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 283587180 RRUKWYZLWXVKHK-UHFFFAOYSA-N 396.422 -0.187 5 20 GBBD O=C(CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O)N[C@H]1CCSC1=O 289626594 VNHCSQXXRCEQCQ-VIFPVBQESA-N 385.379 -0.112 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 298900419 ARMCBIOIUFENDQ-UHFFFAOYSA-N 386.386 -0.354 5 20 GBBD CNC(=O)c1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c([N+](=O)[O-])c1 299053054 IAMXWUNWGQBCHK-UHFFFAOYSA-N 391.428 -0.065 5 20 GBBD COC(=O)CNC(=O)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421026381 RRFUYTUHNDVGJO-UHFFFAOYSA-N 388.402 -0.906 5 20 GBBD COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1=O 472694249 UEWPYSHTDPOGBX-LBPRGKRZSA-N 396.331 -0.047 5 20 GBBD C[C@@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1 542609439 JTAKZGHREHVHRY-MNOVXSKESA-N 384.414 -0.096 5 20 GBBD NS(=O)(=O)CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 544071907 ZOMSOMDHZIQDJM-CYBMUJFWSA-N 388.446 -0.759 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] 574101342 NDAMSZHMGCSNCS-DMDPSCGWSA-N 375.385 -0.458 5 20 GBBD CNC(=O)NC[C@H]1CN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CCO1 863288190 QGMQYNMBZSUDLG-NSHDSACASA-N 392.372 -0.001 5 20 GBBD NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1345481914 HZELYMYLVWRSPQ-ZDUSSCGKSA-N 389.412 -0.250 5 20 GBBD NC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829162463 LHRMKJVQMVSEPU-QWHCGFSZSA-N 393.448 -0.163 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1837799212 WWGYNWCYIQFRMN-MMPTUQATSA-N 397.363 -0.254 5 20 GBBD O=C1CCCN1CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389091 QLEGONGEEMFKPT-UHFFFAOYSA-N 376.373 -0.243 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 267208036 NZXGCKAJVVQDPJ-GJZGRUSLSA-N 399.425 -0.481 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 273143613 VAYIHIVKKQMEFG-NSHDSACASA-N 376.325 -0.836 5 20 GBBD COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 275536643 KRRXZIIPSVBURU-SWLSCSKDSA-N 395.368 -0.142 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)c(C)c([N+](=O)[O-])c1 276842103 HWEIMJMHCKFLIL-VIFPVBQESA-N 378.341 -0.025 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 288337361 WAKVYDGIQXKQNN-ZDUSSCGKSA-N 386.386 -0.491 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3COC[C@H]3O)c([N+](=O)[O-])c2)CC1 295996269 MHSWYEJDZLFKHC-UKRRQHHQSA-N 386.430 -0.298 5 20 GBBD CNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 298636676 DNCFZHICVNJASK-UHFFFAOYSA-N 387.418 -0.444 5 20 GBBD Cc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 299693078 VEDACTQXOWIGQJ-HUUCEWRRSA-N 383.426 -0.181 5 20 GBBD C[C@@H]1CCNC(=O)[C@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 443032336 AFKVYELSZCAOFG-YGRLFVJLSA-N 384.414 -0.096 5 20 GBBD COC(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc([N+](=O)[O-])c1 592991766 OKLOATRTKRZGMH-NSHDSACASA-N 386.338 -0.295 5 20 GBBD CO[C@@](C)(CO)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 594222242 IPFIMLSGGNWZKL-CQSZACIVSA-N 390.418 -0.430 5 20 GBBD NS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 597574755 IHOMAPOELIWNDX-NSHDSACASA-N 386.434 -0.130 5 20 GBBD Cc1cc(N2CC[C@H](NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C2=O)n(C)n1 599250869 RXOFEDOBYPNUHM-VIFPVBQESA-N 383.390 -0.546 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(CC(N)=O)CC1 731617944 KHBGNKJAEBKULE-UHFFFAOYSA-N 380.357 -0.576 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 843500862 BFJGMTIYAZRUST-UHFFFAOYSA-N 397.457 -0.280 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)s1 919668542 LLUJPURQDCQGQX-UHFFFAOYSA-N 375.344 -0.461 5 20 GBBD CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1591051902 RKXXGWFVDREKBT-GJZGRUSLSA-N 388.388 -0.002 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCC(OCCO)CC2)c1 1607079497 JASKBCVCAVXVQF-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)n1 1780412579 FCFXTNBIKXBJRB-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21)c1ccc([N+](=O)[O-])o1 1783363648 LSRGAYNLXNNQFV-OBJOEFQTSA-N 397.384 -0.210 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 67266945 ASPWZZFGIJVMDI-CYBMUJFWSA-N 388.340 -0.321 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 272395964 MAWIVDHIKBNZKZ-QWHCGFSZSA-N 385.398 -0.472 5 20 GBBD Cn1nncc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 280997689 LLXMWVNFXMEHDC-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD COC(=O)C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 298126383 WIFBOHDFKVOCGP-JOYOIKCWSA-N 381.341 -0.066 5 20 GBBD COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)OC 298129390 GJGSATODASPRFE-NSHDSACASA-N 381.341 -0.146 5 20 GBBD Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1[N+](=O)[O-] 424435804 GLTUFSLLWJACJF-LLVKDONJSA-N 385.354 -0.448 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1CS(N)(=O)=O 440375420 XARPGQMVAPKCDZ-JTQLQIEISA-N 386.386 -0.179 5 20 GBBD Cc1c(C(=O)N(C)CCNC(=O)N(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 539417643 QERSDDBOOKTJEK-UHFFFAOYSA-N 387.418 -0.106 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 544654426 KISSPUUBTYXDDQ-NSHDSACASA-N 382.398 -0.457 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 579950408 VMBNDMRIUVHAAS-GFCCVEGCSA-N 376.373 -0.031 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 596749750 SDHQCNPGBNVFNV-RYUDHWBXSA-N 387.418 -0.050 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)nc1 599413125 SZYPGOJBQKWTDD-SNVBAGLBSA-N 390.385 -0.015 5 20 GBBD COC(=O)C[C@@H](O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 600470258 SPCPOTGKJIVNFT-LLVKDONJSA-N 389.386 -0.697 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 603454846 LUZKPCUZWGGSEF-LLVKDONJSA-N 384.414 -0.048 5 20 GBBD CCn1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])n1 611105545 GWTPRYDYLLKXLE-NSHDSACASA-N 388.450 -0.323 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)NS(=O)(=O)N1CCC(C(=O)O)CC1 739269074 RSYZTPOGFSFBMJ-UHFFFAOYSA-N 375.363 -0.661 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 748102993 XDNIBVCRMGUHMV-SNVBAGLBSA-N 399.385 -0.500 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[C@]2(CO)C1 782939133 URCJSSCJBSYENN-IAQYHMDHSA-N 384.414 -0.103 5 20 GBBD C[S@](=O)CCN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 856731063 JPRGBUQPCRJUQK-SANMLTNESA-N 384.462 -0.278 5 20 GBBD NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1318312751 GOUHVFXIRUXGKQ-CQSZACIVSA-N 377.401 -0.303 5 20 GBBD O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1593315635 YHGFZUQPDCGLPS-ZYHUDNBSSA-N 386.372 -0.466 5 20 GBBD O=C(c1ncccn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383452 PQDNBKGOQRAIQX-INIZCTEOSA-N 387.356 -0.135 5 20 GBBD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)ncc1[N+](=O)[O-] 1835548393 STLUJIPDFPHCOR-QGZVFWFLSA-N 393.400 -0.673 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 25025211 NIWPCEXSWOHLOT-CYBMUJFWSA-N 388.340 -0.321 5 20 GBBD CNC(=O)C1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 274289120 ZEOXGDZFQMBDEW-UHFFFAOYSA-N 384.414 -0.202 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)cc1[N+](=O)[O-] 276507026 DGAZRQDBFORHMM-CYBMUJFWSA-N 388.358 -0.616 5 20 GBBD COc1cc(C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)cc([N+](=O)[O-])c1OC 276630168 XBNNJAROCAZELT-LBPRGKRZSA-N 396.400 -0.130 5 20 GBBD COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 278695323 JLIJFNUFAYQUIK-AWEZNQCLSA-N 384.370 -0.034 5 20 GBBD CCN(CCOCCO)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 288358445 HBBGWAAPWXFODE-UHFFFAOYSA-N 379.373 -0.055 5 20 GBBD Cn1cc([C@@H](CO)NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 481845688 ITIAGCZUUIJXHC-CQSZACIVSA-N 397.413 -0.154 5 20 GBBD C[C@H](CS(C)(=O)=O)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 500553072 KQMHUVGZPBGAPI-SNVBAGLBSA-N 393.443 -0.188 5 20 GBBD O=C(N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1(CO)COC1 539931281 LSYOTQZDDDQBSS-UHFFFAOYSA-N 385.398 -0.563 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] 573504719 XKTQBDMRAHARQM-OAHLLOKOSA-N 384.414 -0.571 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CC(=O)N(C)C)CC1 603834912 OFZWZABAATVWLJ-ZDUSSCGKSA-N 391.428 -0.055 5 20 GBBD CCn1cc(S(=O)(=O)NCCCN(C)S(=O)(=O)CC)c([N+](=O)[O-])n1 611106278 YNDFMPNLSOFGSK-UHFFFAOYSA-N 383.452 -0.239 5 20 GBBD CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 735771945 QYSRRQDNYYCNMD-SNVBAGLBSA-N 375.363 -0.820 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 826362779 IEQLELZWNVUQRM-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC2CCN(CC(N)=O)CC2)ccc1[N+](=O)[O-] 880197036 JCVVLKKJFUTCNL-UHFFFAOYSA-N 377.401 -0.301 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1326263105 DOBOVNFGHGUKGX-JSGCOSHPSA-N 377.353 -0.181 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2)c1ccc([N+](=O)[O-])[nH]1 1798745473 XMNVCPBNAQPTMD-WJNVRWDZSA-N 375.385 -0.346 5 20 GBBD O=C(CN1CCN2C(=O)NC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 267839468 UBDUCCPIIBRHEP-MRXNPFEDSA-N 388.428 -0.047 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)c([N+](=O)[O-])c1 275075316 HPHFLLGADJTMIT-GZMMTYOYSA-N 387.370 -0.057 5 20 GBBD COCCCS(=O)(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 431127606 KTMJNDFCCPPMQW-AWEZNQCLSA-N 391.450 -0.864 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 454272553 HVTJDXTWUBAQAF-UHFFFAOYSA-N 399.429 -0.080 5 20 GBBD NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)O1 470808515 QCUPJYDNJXWIGE-DCAQKATOSA-N 380.357 -0.059 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 472486723 MEDZJMVPZWPOGC-GFCCVEGCSA-N 399.429 -0.207 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 505980682 DPORQOYBBBRKHZ-AWEZNQCLSA-N 396.448 -0.133 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 522728692 QLXUNTQKSWUSNF-OAHLLOKOSA-N 393.400 -0.243 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NCCCN2CCCC2=O)c1 584128494 ZBCQAKFQEDLVKL-UHFFFAOYSA-N 380.357 -0.328 5 20 GBBD Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)cc1[N+](=O)[O-] 590591253 RDHZNOZOMAOZIR-SECBINFHSA-N 386.361 -0.626 5 20 GBBD CNC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CCO1 599385037 WTAOYQMMXQFAKF-NSHDSACASA-N 388.402 -0.078 5 20 GBBD CC(=O)NCC(=O)N1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 862960573 HRHWLOBEWWVZFS-MRXNPFEDSA-N 378.385 -0.175 5 20 GBBD O=C(O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 1325839278 PHJQPDBSQMQKOV-SNVBAGLBSA-N 377.350 -0.202 5 20 GBBD C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCN1CCO 1590310707 TXJIGTOSXIPTQC-SNVBAGLBSA-N 397.417 -0.538 5 20 GBBD N=C(N)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1786804267 JVPSLXCAIAYKJG-NHCYSSNCSA-N 394.388 -0.736 5 20 GBBD CN1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C[C@@H]32)C1 1791793760 ZPYGFMLUBOQHEW-DRZSPHRISA-N 392.416 -0.527 5 20 GBBD C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835528711 IAUNCPUQSGUMBT-PXAZEXFGSA-N 395.416 -0.412 5 20 GBBD O=C1NC[C@@H](C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)O1 1841648564 RNBJPFPANRFLDC-NSHDSACASA-N 378.345 -0.897 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)C[C@H]2CCCO2)c1 263692321 OYGHTBSRSGLHIQ-GFCCVEGCSA-N 393.443 -0.029 5 20 GBBD COCCOCCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265601648 CHWZRSREEJYYBI-UHFFFAOYSA-N 375.403 -0.006 5 20 GBBD C[C@@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 267276595 NYMMFRDFMWVVQX-GFCCVEGCSA-N 397.457 -0.144 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@H]2C1 268951246 QLMMAGFPEPLENT-LBPRGKRZSA-N 391.384 -0.425 5 20 GBBD O=C1N[C@@]2(CCOC2)C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 277385933 NDCUMWDSOSHOHA-CQSZACIVSA-N 384.370 -0.416 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 299114462 RAMMGQGGIJITSD-UHFFFAOYSA-N 388.388 -0.322 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O 425080434 DURLTVJGQWRRNC-SNVBAGLBSA-N 376.325 -0.416 5 20 GBBD COCC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 498424194 GNJDXUWIUFHFLC-UHFFFAOYSA-N 393.400 -0.289 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 500573181 KSORSHVSLKPSKB-SNVBAGLBSA-N 391.392 -0.399 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c1 544663892 PRJNBRJAQZXBQU-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCC(C)(CO)CO)cc2[N+](=O)[O-])CC1 557159826 FFEDIXPSBXEWHB-UHFFFAOYSA-N 394.428 -0.016 5 20 GBBD NC(=O)c1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 580673391 WXYFZOCOOTXGEJ-HIFRSBDPSA-N 398.441 -0.719 5 20 GBBD C[C@H](NC(=O)COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(=O)N(C)C 731733106 ABDMPFIZGUAZHU-JTQLQIEISA-N 381.341 -0.078 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1117305838 FEPZRHGDHUMPNL-CQSZACIVSA-N 398.441 -0.206 5 20 GBBD CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](CN)C1 1604867225 WIPWECKMECLDRU-VIFPVBQESA-N 382.406 -0.962 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)c1ccc([N+](=O)[O-])o1 1792355018 KMPSVUHCHHCWKH-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cnsn1 1794381194 ASHKMDPVGPWBBB-DIYOJNKTSA-N 393.385 -0.314 5 20 GBBD O=C(NCCN1CCS(=O)(=O)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 264529696 HTTKVXWSMNKUNG-UHFFFAOYSA-N 394.413 -0.364 5 20 GBBD COCCN1CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1=O 271177764 XUCOQVLTPBCETB-UHFFFAOYSA-N 378.341 -0.180 5 20 GBBD CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 297749358 FZVBEMDZYINEPM-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 378538951 HXYYJNJWQIBHKB-LBPRGKRZSA-N 377.401 -0.160 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c(C)c([N+](=O)[O-])c1 487829288 BPFMWOOZIBAQCO-LLVKDONJSA-N 382.373 -0.333 5 20 GBBD O=C(O)[C@H]1C[S@@](=O)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 776716194 OFQDXTFWBBGVBD-SPSFWMDKSA-N 376.412 -0.015 5 20 GBBD O=C(O)CNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 821533060 YOJABTAXBCBYNV-MRVPVSSYSA-N 383.288 -0.169 5 20 GBBD C[C@@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 827559266 VMVXPAXHDGXWEA-VIFPVBQESA-N 395.415 -0.487 5 20 GBBD O=C(O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 852958544 NLMBZKFLKGMRNK-WPRPVWTQSA-N 393.278 -0.086 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1)c1nc[nH]c1[N+](=O)[O-] 1795879614 ZVTULJLHOJZLII-CLLJXQQHSA-N 392.416 -0.098 5 20 GBBD CS(=O)(=O)CCC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1846700264 MQSUUQRKNBYNDF-UHFFFAOYSA-N 385.402 -0.430 5 20 GBBD CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16519628 NYIKCHRKMDSGPJ-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD CN1CC[C@@H](N(C)C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 265680511 LQZIVAHMMPWXDN-GFCCVEGCSA-N 399.429 -0.267 5 20 GBBD C[C@@H](O)C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 283555334 VJLHBIUOADVZTF-VXGBXAGGSA-N 387.414 -0.129 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 366711146 QHAKUWUQYKMDCP-VIFPVBQESA-N 386.386 -0.115 5 20 GBBD Cc1c(C(=O)NC[C@H](CO)[C@@H]2CCOC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 435926643 NNXFGWRRBKFZMH-GHMZBOCLSA-N 387.414 -0.075 5 20 GBBD COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 511331270 CPZMDKJLRZXUSA-RISCZKNCSA-N 381.341 -0.290 5 20 GBBD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C1 523207407 CLQVANCGPVJAQH-LLVKDONJSA-N 382.377 -0.554 5 20 GBBD CNS(=O)(=O)NCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 549737737 ZTCVGLCOLFZZFL-UHFFFAOYSA-N 376.391 -0.676 5 20 GBBD O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC(=O)N1CCNCC1 592291011 GWHKAFHODLRLDN-UHFFFAOYSA-N 383.792 -0.474 5 20 GBBD COC(=O)[C@H]1CNCCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 592554824 NAWAUBGXVGDMHF-CQSZACIVSA-N 393.400 -0.243 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] 597625579 DGGXGKSROQMYDO-LLVKDONJSA-N 381.341 -0.179 5 20 GBBD CNC(=O)NC[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 599540317 YRZMXBJISGZXBN-JTQLQIEISA-N 395.372 -0.108 5 20 GBBD NC(=O)N1CCCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609170899 XGJLDIXUSNOTEM-UHFFFAOYSA-N 399.429 -0.124 5 20 GBBD C[C@@H](CS(C)(=O)=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609972208 XINJTYMGFDNSST-JTQLQIEISA-N 393.443 -0.235 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 619778464 HRHUKCVJIVYFOM-UHFFFAOYSA-N 384.414 -0.089 5 20 GBBD NC(=O)c1cn(CCOC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)nn1 805943389 WOGLTRKSFXYPBG-UHFFFAOYSA-N 390.356 -0.021 5 20 GBBD CN1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1=O 826018275 UMARCHCPXIZDQV-MRVPVSSYSA-N 381.374 -0.326 5 20 GBBD Nc1nccc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)c1[N+](=O)[O-] 848787799 SRZURIBPGDIKPR-UHFFFAOYSA-N 377.357 -0.190 5 20 GBBD CCN1CCN(CC(=O)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)C1=O 916785868 JPSDFEHAQXJONC-UHFFFAOYSA-N 398.397 -0.769 5 20 GBBD CC(C)(CNC(=O)Cn1cc(C(=O)O)cc([N+](=O)[O-])c1=O)N1CCOCC1 1590713645 XYPQYWOYFSERPN-UHFFFAOYSA-N 382.373 -0.318 5 20 GBBD COCCNC(=O)CN1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1591431916 HNUQLTFWDBDPTH-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCN=c2cc[nH]cc2-c2nn[nH]n2)c1 1609602700 DTOWXMDYZUCPSP-UHFFFAOYSA-N 390.385 -0.018 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805274366 AIJHYAKIDDJAIT-UHFFFAOYSA-N 381.389 -0.667 5 20 GBBD CCS(=O)(=O)C[C@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 281002728 RLKHSRGLPPFJPW-JTQLQIEISA-N 393.443 -0.188 5 20 GBBD C[C@H]1[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCS1(=O)=O 293764428 MATNFNILMVPVOS-WPRPVWTQSA-N 381.366 -0.117 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 447936263 NPPLUZVPHJJYRV-SECBINFHSA-N 377.762 -0.090 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 463380730 XGWSLMAUEZXLHO-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD Cc1c(C(=O)N(C)CC(C)(CO)CO)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 508834895 NMBSPAUFRLJJOZ-UHFFFAOYSA-N 375.403 -0.386 5 20 GBBD CC1=NNC(=O)[C@@H]1CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 523684521 QWFKJRMBYFYMDL-LLVKDONJSA-N 375.341 -0.052 5 20 GBBD COCC[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 540617216 IBWHBPVPIAOMNL-LBPRGKRZSA-N 388.402 -0.778 5 20 GBBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595276650 SRECLDURNXIULW-PIGZYNQJSA-N 393.352 -0.351 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(C2CCOCC2)CC1 1261165799 ZBDTUCNAZRWGBA-UHFFFAOYSA-N 380.405 -0.769 5 20 GBBD CN(C)C(=O)CN1CCN(c2nnc(-c3cnc(N)c([N+](=O)[O-])c3)n2C)CC1 1343519302 MJLFXADSYUKBPR-UHFFFAOYSA-N 389.420 -0.422 5 20 GBBD CN(Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 1591125321 GMFPKMNCWHOIKD-GFCCVEGCSA-N 377.405 -0.100 5 20 GBBD COC(=O)CNC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 22345455 NAXWQMQSNKIBML-MRVPVSSYSA-N 393.308 -0.588 5 20 GBBD CS(=O)(=O)CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265230866 CSMPKHBCARFIAL-UHFFFAOYSA-N 379.416 -0.576 5 20 GBBD CN1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 265774280 HSENNUGGZDOQIY-GFCCVEGCSA-N 385.402 -0.597 5 20 GBBD NC(=O)c1ccc(N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 266633732 JOTYKQQEEBRNQS-AWEZNQCLSA-N 375.389 -0.532 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 267467155 NQMWIBYGPKVDCU-JQWIXIFHSA-N 391.384 -0.427 5 20 GBBD O=C(NC[C@@H](O)C1CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272772148 HLAYKIJTQIIPFB-FPMFFAJLSA-N 399.425 -0.394 5 20 GBBD CNC(=O)CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 298792299 TWBCNNJUERWSNO-UHFFFAOYSA-N 389.368 -0.919 5 20 GBBD Cn1cc(C[C@@H](O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 468619744 MXTIDHBQYVSGHH-CQSZACIVSA-N 397.413 -0.674 5 20 GBBD CCN1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 483046129 QKMFFCZRRPOUBR-UHFFFAOYSA-N 385.402 -0.308 5 20 GBBD Cn1nnc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1 486467502 JBIZADDGVOGERR-UHFFFAOYSA-N 383.390 -0.249 5 20 GBBD COc1cc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 494340225 JDYPFLKYRDRPKV-UHFFFAOYSA-N 379.416 -0.227 5 20 GBBD Cn1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 522629319 GWAZYXJMGSBBQX-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD CN1C(=O)C[C@@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 573576994 MJLGAZPDJVBLQO-LLVKDONJSA-N 384.370 -0.911 5 20 GBBD 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20 GBBD CC1(Cn2cc(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])nc3)nn2)COC1 760248514 NPUNZFUDQNFLQK-UHFFFAOYSA-N 382.358 -0.264 5 20 GBBD NC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1 778041545 QKPXOYOLVHWZMY-SECBINFHSA-N 399.385 -0.017 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 817890445 UBICGOFCKFKJPP-AWEZNQCLSA-N 392.368 -0.445 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)O)c([N+](=O)[O-])n1 833681586 HCVUMMNMNXWKMC-BDAKNGLRSA-N 390.374 -0.162 5 20 GBBD CON(C)C(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 863705122 ZZSPRFSJTUJGHS-SNVBAGLBSA-N 388.402 -0.212 5 20 GBBD O=C(C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCC1 1325058399 JKLLNZWYEDEJHS-UHFFFAOYSA-N 382.398 -0.340 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1327261582 LJFCBEFKKRHODF-UHFFFAOYSA-N 384.414 -0.739 5 20 GBBD CN(CCNC(=O)CNC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1591097605 USYANCDAIHMCAK-UHFFFAOYSA-N 388.388 -0.147 5 20 GBBD O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 1607001366 PLUSLIVYFQQMDA-LSCVPOLPSA-N 386.372 -0.610 5 20 GBBD C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)CCCN1 1781142302 HBXFKSYMRRSBGD-IAGOWNOFSA-N 392.416 -0.097 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)C(=O)C1CC1 1784008316 HCKICQPRPLBKOU-SRVKXCTJSA-N 391.384 -0.110 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)C1CCOCC1 1795326000 JLLGMIGNDMVNEA-CLLJXQQHSA-N 393.400 -0.052 5 20 GBBD CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1834710464 WGVQOHQMFYIOPS-MRXNPFEDSA-N 381.341 -0.153 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC 45410891 DACRZTQAMVPVHP-GFCCVEGCSA-N 380.357 -0.095 5 20 GBBD COC[C@@H](O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265351599 BNMIBIUERHXCBO-JTQLQIEISA-N 376.391 -0.820 5 20 GBBD C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 298698954 NLAZDLHYSNZLTG-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD Cn1ccc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 363079686 GCTFVIPFVCIWFH-JQWIXIFHSA-N 395.397 0.091 5 20 GBBD CCN1C(=O)[C@H]2CN(c3ccc(S(=O)(=O)NC)cc3[N+](=O)[O-])CCN2C1=O 364871866 UYWXMLGLZNBLAH-CYBMUJFWSA-N 397.413 -0.024 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] 371699690 JDGOVZXVFCJQQZ-GFCCVEGCSA-N 391.344 -0.554 5 20 GBBD COC(=O)C[C@@H]1COCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 377452887 PYWCXJAHWSIOQA-SNVBAGLBSA-N 391.336 -0.019 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 378534849 PPPFIITZJFDYFY-GFCCVEGCSA-N 399.429 -0.281 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1Cc2nnc(O)n2C[C@H]1C(=O)O 424390170 JQUNBHIGYURAMV-VIFPVBQESA-N 383.342 -0.142 5 20 GBBD Cn1cc(C[C@H](O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 469373231 LBUBMESZPIYMRO-ZDUSSCGKSA-N 397.413 -0.674 5 20 GBBD O=C(CN1CCCC1)N1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 485004590 ISGBUTJIXHAIBF-UHFFFAOYSA-N 377.401 -0.477 5 20 GBBD CNC[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 576976695 KDKMOMKAZMQUGJ-CQSZACIVSA-N 376.417 -0.151 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(S(C)(=O)=O)CC1 609841941 VXNLULYSCMZQAR-LLVKDONJSA-N 388.450 -0.069 5 20 GBBD CN(CC(=O)NC[C@@H](O)[C@@H]1CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 610016460 ZKPZIIPOKIADJR-BXUZGUMPSA-N 387.414 -0.271 5 20 GBBD NC(=O)CN1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 728868086 XWVMVILWSXXXIK-UHFFFAOYSA-N 392.416 -0.586 5 20 GBBD CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 800551718 QTXOXKUCGWUZHI-UHFFFAOYSA-N 382.358 -0.629 5 20 GBBD C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CCn1cc([N+](=O)[O-])cn1 820803683 FEJRRTKRVWGRQW-NSHDSACASA-N 385.392 -0.028 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCOCC2)c1-c1nn[nH]n1 826500238 PNUGIYLKMXCYFY-UHFFFAOYSA-N 383.390 -0.615 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)O)c([N+](=O)[O-])n1 833681589 HCVUMMNMNXWKMC-RKDXNWHRSA-N 390.374 -0.162 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1323674245 VSVHMVUTYKGFMY-ZDUSSCGKSA-N 398.441 -0.349 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 1323939083 BBSCHAAESOBAOZ-LBPRGKRZSA-N 385.398 -0.135 5 20 GBBD C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419547 DJQSGVKWNYOIIM-ZBEGNZNMSA-N 379.373 -0.499 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1782098711 PXLRWBAKGBSHQB-QGZVFWFLSA-N 395.368 -0.637 5 20 GBBD COc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 3467796 ICMXYNMHQJGQDA-UHFFFAOYSA-N 392.324 -0.377 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@]1(O)CCOC1 270185145 VRVLWUWSCTXZLM-AWEZNQCLSA-N 388.402 -0.676 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)N1CCOCC1 273610856 UBKDZMBLMVOHIO-UHFFFAOYSA-N 387.370 -0.482 5 20 GBBD COc1ccc(OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1[N+](=O)[O-] 276776409 PTJXNRPRTQCEFG-UHFFFAOYSA-N 389.324 -0.044 5 20 GBBD CN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280810162 QOKOMAXKVKACPD-UHFFFAOYSA-N 386.430 -0.336 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)O1 470234180 UBSZFUSMZSGNQR-OLZOCXBDSA-N 379.373 -0.457 5 20 GBBD O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCN1 471160278 FBTVBDPHRXCHSI-LBPRGKRZSA-N 396.425 -0.046 5 20 GBBD NC(=O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 522640974 ITMDYENDFOQSDU-NSHDSACASA-N 399.429 -0.220 5 20 GBBD O=C1C[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1 542638102 XQRNUXXIRCDUQB-MFKMUULPSA-N 382.398 -0.247 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 594821640 ICBXZKVFGOKUPU-DGCLKSJQSA-N 378.428 -0.131 5 20 GBBD COC(=O)CCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 599476306 OHLCBCGKVKBGDI-UHFFFAOYSA-N 389.386 -0.049 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(=O)OC 619474989 ZYAVQPYYXVJIIA-MRVPVSSYSA-N 376.343 -0.014 5 20 GBBD CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 773300569 QXAIOPDZEYPTLH-UHFFFAOYSA-N 382.373 -0.146 5 20 GBBD NC(=O)c1ccc(SCC(=O)OCC(=O)N2CCNC(=O)C2)c([N+](=O)[O-])c1 803693680 ULAPUTOEBDEJOM-UHFFFAOYSA-N 396.381 -0.713 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 918760331 WLTMBMISTIEKOU-UHFFFAOYSA-N 386.748 -0.018 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1117347765 UFEPXCHDNZQNSU-UHFFFAOYSA-N 391.428 -0.466 5 20 GBBD COc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 1318117421 GAVZUTTYWWDWDP-NSHDSACASA-N 385.398 -0.021 5 20 GBBD CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1327009208 KTJVTRNRLPBOSL-UHFFFAOYSA-N 384.414 -0.513 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 1346556971 OYRJJUUHKJONFJ-ZDUSSCGKSA-N 394.432 -0.475 5 20 GBBD CO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791319147 MYWNXULZABCACZ-JURCDPSOSA-N 395.416 -0.194 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1ncon1 1798349040 QBUXFQAZGGSBSK-DDFAGTSDSA-N 391.344 -0.922 5 20 GBBD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845310348 MSLAVQZYMYRCOO-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 27217016 CBDCFSGYCNBVFF-CQSZACIVSA-N 376.369 -0.153 5 20 GBBD COC[C@H](CCO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 269105556 ATUPWILYQCMHSD-JTQLQIEISA-N 390.418 -0.442 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 269307237 MLAYOKMMORZWML-UHFFFAOYSA-N 375.407 -0.698 5 20 GBBD CCOC(=O)CC[C@@]1(C)NC(=O)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 287326990 VRDRRVLAADCTCJ-IAQYHMDHSA-N 383.361 -0.194 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 425072167 LICPLSUMXATEAS-SECBINFHSA-N 384.370 -0.863 5 20 GBBD CCN1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O 459848163 NVVBEAPWQQZPTA-UHFFFAOYSA-N 389.412 -0.066 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2ncnc2C1 474831081 KEBKDSRCWSVKFF-UHFFFAOYSA-N 380.386 -0.103 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCCC1=O 517155246 FTXJGOAERWLAIF-UHFFFAOYSA-N 399.429 -0.205 5 20 GBBD COC(=O)c1cncnc1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 553105001 VOLSIGHWQHBCTI-UHFFFAOYSA-N 381.370 0.562 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 610060694 JNYQTSGVYMFQAL-SECBINFHSA-N 386.386 -0.031 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)CCn2ncn(C)c2=O)cccc1[N+](=O)[O-] 842404739 YUVFGQCRFFZHPN-UHFFFAOYSA-N 383.386 -0.165 5 20 GBBD CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1321680658 KRDYQWGLPBJWIM-UHFFFAOYSA-N 377.401 -0.381 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1323362598 RYJQVFYEOCQOEI-LBPRGKRZSA-N 398.441 -0.349 5 20 GBBD CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 1578906977 CXJXLMMGWIBHBZ-UHFFFAOYSA-N 386.376 -0.207 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788810514 WFBLOVWITZRRJL-NHCYSSNCSA-N 389.372 -0.052 5 20 GBBD C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828432 QXVKUMGDXJNUAC-BZNIZROVSA-N 382.373 -0.626 5 20 GBBD COc1ccc(CC(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 67277591 ZLYSWXZMOJVSRT-NSHDSACASA-N 399.425 -0.092 5 20 GBBD CCN1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 264914936 OGDUMFLJJBMBTA-UHFFFAOYSA-N 389.412 -0.056 5 20 GBBD O=C(CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC1 265252069 ABSLAFAIKSUBFP-UHFFFAOYSA-N 385.402 -0.549 5 20 GBBD COC[C@@](C)(NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OC 268212849 HVGSFVHKQKSBCU-MRXNPFEDSA-N 379.325 -0.115 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 270888324 PFPORQSVAGNUKF-SNVBAGLBSA-N 390.352 -0.758 5 20 GBBD COC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 298716066 ZJJOAPRTAFTKAR-UHFFFAOYSA-N 386.386 -0.216 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 376771903 ITSBKTAPHWVXMN-MFKMUULPSA-N 384.414 -0.007 5 20 GBBD COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 419827841 RNLMBWHHBHYJPK-GFCCVEGCSA-N 396.331 -0.047 5 20 GBBD CN[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 423156961 LURDRJOSDBEAHH-NSHDSACASA-N 395.441 -0.239 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)c([N+](=O)[O-])n1 501161238 FDGSEKXZBFOEHR-SECBINFHSA-N 389.390 -0.747 5 20 GBBD Cn1cc(N2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC2=O)cn1 589112789 IUBXPZLRBFYJKN-UHFFFAOYSA-N 380.386 -0.171 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)NCCNS(C)(=O)=O)cc1OC 603459367 VYUJOVWLEVUWHZ-UHFFFAOYSA-N 391.402 -0.092 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 603640152 UDYXQUOSEYIZCA-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD CC(=O)NC[C@@H]1CN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CCO1 736148119 MJUAQLYFXHUJNM-GFCCVEGCSA-N 380.357 -0.250 5 20 GBBD CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)CN1CCOCC1=O 838936957 WESJVHDURIVLBM-UHFFFAOYSA-N 386.386 -0.310 5 20 GBBD CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261165188 MAIWXNPWXSQDRH-CQSZACIVSA-N 382.421 -0.523 5 20 GBBD C[C@@H](O)C[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1589996988 LNCIULRCBAZUII-NXEZZACHSA-N 398.401 -0.065 5 20 GBBD CCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1590362482 OUMKWVPTMCZGEP-UHFFFAOYSA-N 381.374 -0.025 5 20 GBBD COC(OC)C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1591335632 WPHAXQIFMXLIGI-UHFFFAOYSA-N 378.349 -0.563 5 20 GBBD COc1ccc(CC(=O)N2CCCC23CN(C(=O)C(O)O)C3)c([N+](=O)[O-])c1 1845259143 MKGVIOVYDSKUFT-UHFFFAOYSA-N 379.369 -0.340 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCCS(=O)(=O)N1CCSCC1 264396982 ROZIYHCJOZJOCC-UHFFFAOYSA-N 377.448 -0.405 5 20 GBBD COCCN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265291046 KLLHHFIMIUBUKW-UHFFFAOYSA-N 396.447 -0.714 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 272922422 TWDPNCVJUGYRAQ-CYBMUJFWSA-N 380.357 -0.693 5 20 GBBD O=C(O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 275030402 UBYAZVFEBFMVJQ-LLVKDONJSA-N 377.350 -0.202 5 20 GBBD CCOC(=O)[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 298507268 LPHJBORICQHATR-GFCCVEGCSA-N 380.357 -0.200 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)c([N+](=O)[O-])n1 416576488 DCAWFRIXMBYERC-SNVBAGLBSA-N 375.407 -0.464 5 20 GBBD C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 470485473 YKDNVPMMHOAZCL-DGCLKSJQSA-N 387.414 -0.129 5 20 GBBD O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 471165391 OCVPFTVKMLLOQF-LBPRGKRZSA-N 396.425 -0.046 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 518940282 ZKOXXLKGOURACH-CYBMUJFWSA-N 379.417 -0.062 5 20 GBBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1CCS(=O)(=O)C1 552012809 ACWIJEWNFLDLTO-JTQLQIEISA-N 379.398 0.501 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CNC(=O)C2)cc1[N+](=O)[O-] 555085115 NOMINOIULUSNBK-SNVBAGLBSA-N 399.429 -0.302 5 20 GBBD Cn1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 563051582 DWAJPZOJNPFJRR-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD CN1C(=O)CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)CC1=O 572541329 ZHASPDNBRITPHN-UHFFFAOYSA-N 391.369 -0.290 5 20 GBBD NS(=O)(=O)CC[C@H]1NC(=O)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C1=O 573935679 MTCFHULZGPIHHN-SNVBAGLBSA-N 378.313 -0.028 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 593574129 LNHFTOHBTSTFCG-SECBINFHSA-N 379.420 -0.816 5 20 GBBD N[C@@H]1C[C@@H]2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCN2C1=O 594877551 VJCQTVPIRMWURG-VXGBXAGGSA-N 389.368 -0.909 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)c([N+](=O)[O-])c1 596666813 OUVKCHXUPHNGLK-LBPRGKRZSA-N 396.425 -0.217 5 20 GBBD NS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 597263040 BMGLLPOTYWZDFK-VXGBXAGGSA-N 398.445 -0.082 5 20 GBBD C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N1CCS(=O)(=O)CC1 609448058 QWCUZTFDOGGJKM-SNVBAGLBSA-N 387.418 -0.712 5 20 GBBD CCN(C(=O)COC(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CCS(=O)(=O)C1 920658632 IKDPWXFXUPMGCK-JTQLQIEISA-N 388.402 -0.171 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 1322787290 YKHRVIOSMMPDKX-UHFFFAOYSA-N 398.441 -0.208 5 20 GBBD CNC(=O)CC(=O)N1CC2(CCCN2C(=O)c2nc(OC)ccc2[N+](=O)[O-])C1 1843585296 VXIQINFZAYOJCJ-UHFFFAOYSA-N 391.384 -0.049 5 20 GBBD C=CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844371121 JJPKKRPCJZGXSS-JTQLQIEISA-N 376.373 -0.174 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1 263679267 NCUOBVDQNOEFJF-AAEUAGOBSA-N 385.398 -0.423 5 20 GBBD CCN(C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)[C@H]1CC(=O)NC1=O 266808351 GUDCLDLCXUFVCC-NSHDSACASA-N 384.370 -0.572 5 20 GBBD Cc1cc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c(N)c([N+](=O)[O-])c1 267247419 GCLONSZWIWEUHO-SNVBAGLBSA-N 384.414 -0.139 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 275126696 OTKZMVWOLJGKCG-JTQLQIEISA-N 378.384 -0.224 5 20 GBBD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 282107999 FPSHGSKCJRACLN-ZWNOBZJWSA-N 399.429 -0.303 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 299571670 GZOVJAZGYVDFOH-QWHCGFSZSA-N 399.425 -0.049 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1[N+](=O)[O-] 424364427 DOTKRCIEFYNPCH-LLVKDONJSA-N 378.384 -0.224 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C2)nn1 500560915 ZJTHXPHZGSLDCY-UHFFFAOYSA-N 383.328 -0.437 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 514059771 VXIQRNDLAWZESX-JTQLQIEISA-N 385.354 -0.888 5 20 GBBD NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 531591139 GDDLNTLPEOZCNG-CHWSQXEVSA-N 378.389 -0.146 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCNS(=O)(=O)c2cccs2)c1 566114281 FCDZPWUATJHNLR-NSHDSACASA-N 375.432 -0.218 5 20 GBBD O=C(O)CN(CCN1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 739784366 BHKSRMCKLWZMFG-UHFFFAOYSA-N 394.384 -0.430 5 20 GBBD COCCCNC(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 801440607 SDVDBWVYSLCGRG-VIFPVBQESA-N 389.386 -0.060 5 20 GBBD NC(=O)CN1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1=O 837974038 ZZMXHRYICZJABS-CYBMUJFWSA-N 375.341 -0.756 5 20 GBBD O=C1c2ccccc2S(=O)(=O)N1CCn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1582790917 PSYQESSDQJBGTE-UHFFFAOYSA-N 390.341 -0.184 5 20 GBBD CN(CCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)Cn1ncnn1 1591094491 CWFDKHFIFVLXHF-UHFFFAOYSA-N 387.364 -0.644 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1Cc2ccc(-c3nn[nH]n3)cc2C1 1606802527 TZCUIUJZZVCOLO-UHFFFAOYSA-N 397.355 -0.370 5 20 GBBD C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)CCCN1 1781140991 AMLIORQKPXIUTK-SJORKVTESA-N 392.416 -0.097 5 20 GBBD CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825806 SENOYUOONCNMGY-QGZVFWFLSA-N 395.416 -0.446 5 20 GBBD Cn1c(COC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc(=O)n(C)c1=O 11536608 DFZNTZWILHDIIW-UHFFFAOYSA-N 390.308 -0.357 5 20 GBBD Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc([N+](=O)[O-])c1F 271651122 HYJFHNZTQBKTOH-SECBINFHSA-N 386.361 -0.626 5 20 GBBD CN(CC(=O)N1CC[C@@](C)(C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 280033163 MUXGYBCEEQFNHH-OAHLLOKOSA-N 384.414 -0.061 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@H](OCCO)C1 295469764 IPEKRKUEPMVHTO-LBPRGKRZSA-N 387.414 -0.127 5 20 GBBD COCC1(O)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 295622106 VWQHXPIYCOLDIS-CQSZACIVSA-N 399.425 -0.032 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@@H]1CO 369948281 LTKDTVGNGCXCFE-GHMZBOCLSA-N 388.402 -0.990 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 417285240 UCZQMJJADPSWJN-LBPRGKRZSA-N 387.418 -0.839 5 20 GBBD COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 419808692 DTHLZMJGEVIPDA-GFCCVEGCSA-N 378.341 -0.187 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCCN1CCNCC1 428745209 AIKVGMFZANJHPL-UHFFFAOYSA-N 378.433 -0.195 5 20 GBBD C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 443032334 AFKVYELSZCAOFG-IINYFYTJSA-N 384.414 -0.096 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 489484638 RGPGTXHPUXKTHE-VHSXEESVSA-N 379.377 -0.410 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 518940283 ZKOXXLKGOURACH-ZDUSSCGKSA-N 379.417 -0.062 5 20 GBBD O=[N+]([O-])c1cnc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 546188562 OHNMOKKJHPRVJA-UHFFFAOYSA-N 393.429 0.344 5 20 GBBD COc1cncc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 563246703 NMYZSZUGLLKRJO-UHFFFAOYSA-N 387.356 0.076 5 20 GBBD CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 571003744 ZRZZFFPXJOINJM-QWHCGFSZSA-N 392.416 -0.014 5 20 GBBD CC(C)[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCS(=O)(=O)C1 913305035 HEMHXDJEYFPSAP-GXFFZTMASA-N 388.402 -0.338 5 20 GBBD COCCN1CCN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1=O 1325094642 HJDORVWUESXTJE-UHFFFAOYSA-N 392.412 -0.087 5 20 GBBD CC(C)(CNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)NS(C)(=O)=O 1776294754 GHSAYLFIMIHRBJ-UHFFFAOYSA-N 395.415 -0.101 5 20 GBBD O=C1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C3)N1 1795701117 IZZLRCFJVDKWAI-VLEAKVRGSA-N 376.373 -0.152 5 20 GBBD O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CCN1 1842000840 UQPGWIHQANEPBI-GFCCVEGCSA-N 390.400 -0.479 5 20 GBBD COc1c(F)cc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1[N+](=O)[O-] 277313846 TURWUVBRMCZMOC-QMMMGPOBSA-N 379.322 -0.261 5 20 GBBD CCN1CCN(CCc2noc(CCn3cc([N+](=O)[O-])nc3C)n2)C(=O)C1=O 350754767 ADUXZFCIHDCDSH-UHFFFAOYSA-N 391.388 -0.041 5 20 GBBD Cc1[nH]c(=NC[C@@]2(C)CCC(=O)N2)[nH]c(=NC[C@]2(C)CCC(=O)N2)c1[N+](=O)[O-] 413330736 AWQGQDCITGMUNV-DLBZAZTESA-N 391.432 -0.302 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C(=O)CNC1=O 421001227 DFIFKKGJLGTGDS-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD Cc1ccc(S(=O)(=O)N2Cc3nnc(O)n3C[C@@H]2C(=O)O)c([N+](=O)[O-])c1 424391776 NQZJTEHZIHKYRI-SECBINFHSA-N 383.342 -0.142 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1)N1CCOCC1 436953725 ROXACBZZVBUTEP-UHFFFAOYSA-N 392.368 -0.556 5 20 GBBD C[C@](O)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)CN1CCOCC1 467492986 FGLSBEJWPTZTIT-KRWDZBQOSA-N 390.400 -0.012 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]12 490845530 GXRPWOMHHGVJFU-UWVGGRQHSA-N 391.340 -0.445 5 20 GBBD CN(CCOC(=O)c1ccc(N)c([N+](=O)[O-])c1)S(=O)(=O)N1CCOCC1 731291966 GFHARRVIFCUYDS-UHFFFAOYSA-N 388.402 -0.157 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1CCN(C)S1(=O)=O 842691993 FRWSROPPLZBTOU-LLVKDONJSA-N 377.400 -0.258 5 20 GBBD CN1C(=O)CN(CC(=O)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1=O 860607428 ZVIAFMLPJJNWRV-UHFFFAOYSA-N 384.370 -0.523 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccnc(N2CCOCC2)n1 860861517 YJDGTIFYWGZGNQ-UHFFFAOYSA-N 394.369 -0.265 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 1328625781 DXOTYWMONSHRDX-CQSZACIVSA-N 389.412 -0.020 5 20 GBBD COCC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 46003385 DMUNXGBPZJJUSN-UHFFFAOYSA-N 392.368 -0.363 5 20 GBBD CCc1[nH]nc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 266437997 KSNJMRBJMJECBP-NSHDSACASA-N 380.405 -0.457 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 267306681 LRNRQNYQPBEWAV-LSDHHAIUSA-N 383.426 -0.181 5 20 GBBD CNS(=O)(=O)[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 373296687 OPGFTJGWXBFKHL-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD CCC[C@@H](O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 412507405 DNRLYCMNXBJBJG-ZIAGYGMSSA-N 389.430 -0.099 5 20 GBBD O=C([C@@H]1COCCN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 429735345 DQHLOWKMBBUSAJ-AWEZNQCLSA-N 384.414 -0.584 5 20 GBBD CC[C@@H](C)[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)NCCN1CCOCC1 520367017 BOKLIECDRUYCFE-TZMCWYRMSA-N 397.436 -0.834 5 20 GBBD Cn1cc(C(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 845104723 NFTNZUSZWCFOQW-UHFFFAOYSA-N 397.369 -0.182 5 20 GBBD O=C(N1CCOCC1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1609539167 RIIUUNUPIPANBF-UHFFFAOYSA-N 389.376 -0.256 5 20 GBBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1784219655 PNTVMJRHVFAUJH-PRPBNIASSA-N 395.368 -0.509 5 20 GBBD CC[C@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786970001 PKZUDJYQLBQTPU-CYDGBPFRSA-N 394.432 -0.091 5 20 GBBD CCC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1790817355 OREMFQILKRRRSF-KWBADKCTSA-N 379.373 -0.110 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1C(=O)CNC1=O 264439146 FKBGFNZGAZOFLO-JTQLQIEISA-N 377.357 -0.229 5 20 GBBD O=C1CN(CCNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN1 272978616 OYOUOPZWOHZLDS-UHFFFAOYSA-N 376.417 -0.142 5 20 GBBD NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 276399883 ZASFBSWBMMQXNW-LLVKDONJSA-N 394.203 -0.032 5 20 GBBD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 282442596 ZNSPWRNFMJTDFI-ZWNOBZJWSA-N 399.429 -0.303 5 20 GBBD CS(=O)(=O)NCCCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 431896835 UJFCBUIWPDGLKO-UHFFFAOYSA-N 398.397 -0.083 5 20 GBBD O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC1 593728727 BDKBNJPJHZLNCS-LBPRGKRZSA-N 382.398 -0.429 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]12 596499464 RVMIGXRICJKPKR-NDMJEZRESA-N 391.427 -0.510 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] 597631531 KLEANSXBUXYMLJ-ZDUSSCGKSA-N 395.368 -0.120 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)c([N+](=O)[O-])n1 599530969 YNQCVYFQULFKNT-JTQLQIEISA-N 395.463 -0.239 5 20 GBBD C[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1322083105 OSUUQYISKNXWTL-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD O=C(NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1582411737 LYFSZYKNBHJNJO-NXEZZACHSA-N 379.402 -0.744 5 20 GBBD O=C(c1nc[nH]n1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416002 URURNEDFTIANNF-HNNXBMFYSA-N 375.345 -0.202 5 20 GBBD CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1783133678 KLSZBUKNPCLMSJ-INIZCTEOSA-N 380.357 -0.233 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756983 FALXIHIAJHGECO-OAHLLOKOSA-N 397.363 -0.110 5 20 GBBD C[C@H]1C(=O)NCCN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 264368479 GCXMSAJLEWCLEP-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 272812506 CAUSOSVZPSPTME-UHFFFAOYSA-N 386.386 -0.306 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c(C)c([N+](=O)[O-])c1 276814754 FBWYXLABBDCWCZ-UHFFFAOYSA-N 399.381 -0.115 5 20 GBBD NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(C(=O)C(=O)N2CCCC2)CC1 420581665 GFBBFNUJBPKFPQ-UHFFFAOYSA-N 375.385 -0.035 5 20 GBBD COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1[N+](=O)[O-] 424390547 FGOAHWYDRYMYEX-LBPRGKRZSA-N 387.370 -0.003 5 20 GBBD CN(C)CCNC(=O)Cn1cc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)cn1 445021845 SASMYVIYQUVFSI-UHFFFAOYSA-N 377.361 -0.178 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H]1CNC[C@H]1O 493972966 FSCUIGUNPSNZBZ-OUAUKWLOSA-N 386.430 -0.264 5 20 GBBD CN(CC(C)(CO)CO)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 508835483 RNHGMGNVHIOCLU-UHFFFAOYSA-N 389.430 -0.288 5 20 GBBD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 509971753 RTBYJLJZDASPGI-GFCCVEGCSA-N 399.429 -0.080 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC(CNS(C)(=O)=O)CC2)c([N+](=O)[O-])n1 510369439 NNCZFGTWTHHIIQ-UHFFFAOYSA-N 395.463 -0.239 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] 573504718 XKTQBDMRAHARQM-HNNXBMFYSA-N 384.414 -0.571 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CCN2C1=O 573579117 OTELUNSSURGFDG-GXTWGEPZSA-N 389.412 -0.185 5 20 GBBD O=C(O)CSCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 582329328 LKMOQFBQSKWKJW-UHFFFAOYSA-N 377.400 -0.193 5 20 GBBD NS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 597263037 BMGLLPOTYWZDFK-NEPJUHHUSA-N 398.445 -0.082 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cnc(O)c([N+](=O)[O-])c1 597643705 RAQOIURWNJKJOS-LLVKDONJSA-N 382.329 -0.784 5 20 GBBD CS(=O)(=O)NC1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 611743274 VVYFBHMMTIWUNC-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)CN1CCOCC1 619871131 VGXMIQBFYRGHDM-TZMCWYRMSA-N 380.401 -0.478 5 20 GBBD O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)OCCn1ccc([N+](=O)[O-])n1 823005578 XOJYNPUYQVQLJE-UHFFFAOYSA-N 386.328 -0.055 5 20 GBBD C[C@@H]1NC(=O)N(CCOC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 837307665 WPALMFYCXNLPQV-QMMMGPOBSA-N 390.308 -0.326 5 20 GBBD CC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1835205862 KILSMQFMAOBGNH-QGZVFWFLSA-N 394.384 -0.767 5 20 GBBD C[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835869613 LRHSPDBCFHXQNR-LLVKDONJSA-N 394.432 -0.116 5 20 GBBD O=C(NCCCN1C(=O)CNC1=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 264582030 YFMQOXVIVNSGBX-JSGCOSHPSA-N 395.372 -0.770 5 20 GBBD CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 266561587 XZGOQAFBWVQZCR-DZGCQCFKSA-N 397.432 -0.114 5 20 GBBD C[C@H]1C(=O)NCCN1c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 271683937 ZSPDYWHWXGTFPD-NSHDSACASA-N 385.446 -0.241 5 20 GBBD C[C@H]1CN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCN1S(C)(=O)=O 271888636 SOSAVLXFHDBZKU-JTQLQIEISA-N 398.397 -0.005 5 20 GBBD C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCN1S(C)(=O)=O 272890477 JNJGWMLHQDIQHS-VIFPVBQESA-N 378.432 -0.288 5 20 GBBD C[C@@H](C[S@](C)=O)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 273105153 BHTFXDHJQYSJPH-VHMAXNEBSA-N 392.459 -0.073 5 20 GBBD CCN(CC(N)=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 276843418 GIHLWYDFIDBQBY-UHFFFAOYSA-N 385.446 -0.158 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c(C)c([N+](=O)[O-])c1 276978160 YYKSUWMRFAKDBI-SNVBAGLBSA-N 393.356 -0.102 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 279274616 VXGQYLSVWJQRPR-UHFFFAOYSA-N 395.391 -0.067 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 282953862 LFDCSEHPZZDEEH-LLVKDONJSA-N 384.414 -0.061 5 20 GBBD NC(=O)c1ccnc(NCCS(=O)(=O)N2CCSCC2)c1[N+](=O)[O-] 290542188 ILFMGBBRXPNVHT-UHFFFAOYSA-N 375.432 -0.121 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@H]2C1 372691939 FWZDFZPZGYRTGB-ZDUSSCGKSA-N 375.385 -0.126 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC(=O)N(C)C1=O 448551343 JQZSKKDYCQMGKI-SNVBAGLBSA-N 385.354 -0.193 5 20 GBBD Cn1cc([C@@H](CO)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 481785739 XPFZYUHAKVSRJC-GFCCVEGCSA-N 375.341 -0.097 5 20 GBBD CNC(=O)[C@H](CCSC)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 494204706 LNUMTLQIXXHDHW-VIFPVBQESA-N 390.443 -0.160 5 20 GBBD O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)N1CCS(=O)(=O)CC1)C2 536005256 UANQUBPMUHUGKD-UHFFFAOYSA-N 375.428 -0.072 5 20 GBBD COc1ccc(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1S(N)(=O)=O 537703593 KLVZOUHPKXYASY-UHFFFAOYSA-N 383.386 -0.194 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCn1cc(CO)nn1 571805986 GXUFRQHJQBVBCU-UHFFFAOYSA-N 399.385 -0.166 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@@H]1C(N)=O 577625221 BRERXNCVSFGBFF-STQMWFEESA-N 384.414 -0.157 5 20 GBBD Cn1c(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(=O)n(C)c1=O 596093499 UXHFFTPSLZECAS-UHFFFAOYSA-N 383.386 -0.617 5 20 GBBD CN(C)C(=O)Cn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 604474363 ASIZFOBRMCAQDK-UHFFFAOYSA-N 388.388 -0.368 5 20 GBBD COC1(C)CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 611658689 QTBYKMGGIKRSDS-AAEUAGOBSA-N 399.425 -0.034 5 20 GBBD NS(=O)(=O)c1ccc(NCC(=O)OCCN2CCCC2=O)c([N+](=O)[O-])c1 747410630 ZERHTZUPIZZMEN-UHFFFAOYSA-N 386.386 -0.180 5 20 GBBD CNS(=O)(=O)CCCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 777048225 WEEJGPBKMFPRTF-UHFFFAOYSA-N 387.370 -0.197 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)c1 813949802 DNPPBFYUFUAYCC-UHFFFAOYSA-N 386.386 -0.258 5 20 GBBD CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826060539 NYQJWEBISLNNPA-IUCAKERBSA-N 395.401 -0.032 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 826437579 RVVPVTNCJGFXRP-UHFFFAOYSA-N 381.374 -0.421 5 20 GBBD Cc1c(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] 1343096398 KTFXHDMPTFGLJS-UHFFFAOYSA-N 384.414 -0.473 5 20 GBBD O=C(O)[C@H]1[C@@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1610732577 FWJHFYKULQDABV-XHDPSFHLSA-N 379.325 -0.243 5 20 GBBD CO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813329 HGXMCKXUWZRHCV-ZPFDUUQYSA-N 381.389 -0.054 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cc(O)n[nH]1 1795692920 TYWZVNPPYRXMCI-IJBDUVHLSA-N 391.344 -0.736 5 20 GBBD CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795724191 GBBCAFQLVRKXDU-USZNOCQGSA-N 380.405 -0.481 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 275995835 YCFFBISRJBMZHN-LLVKDONJSA-N 389.368 -0.681 5 20 GBBD C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC(=O)N1 295681994 HDKCLSGDVLLKNA-NSHDSACASA-N 384.414 -0.060 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](CO)O1 460011486 IQIJDTPWUCXFRS-BBRMVZONSA-N 392.412 -0.148 5 20 GBBD CN(C)C(=O)COC1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 482212017 PBKDBAFPQHJYQC-UHFFFAOYSA-N 385.398 -0.073 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CCCS1(=O)=O 484064246 AARSPASCDUZIAZ-VIFPVBQESA-N 381.366 -0.116 5 20 GBBD CCn1cc(S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O)c([N+](=O)[O-])n1 485295433 POQRGAPUYWAOKR-QMMMGPOBSA-N 377.379 -0.589 5 20 GBBD O=C(CO)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 497440905 IDXMKRQKKMHPMO-LLVKDONJSA-N 396.425 -0.076 5 20 GBBD COC(=O)Cn1ncc2c(=O)n(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])cnc21 517587550 DMMJIRWRYBCDGV-UHFFFAOYSA-N 386.324 -0.179 5 20 GBBD COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 546884623 QBQXOMFCTCLQSZ-JTQLQIEISA-N 388.402 -0.028 5 20 GBBD CCc1ccc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 583081405 QBYDMDKOSIBPDW-ZDUSSCGKSA-N 378.428 -0.015 5 20 GBBD CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 600732505 BOZBOMJNFPMPOU-SNVBAGLBSA-N 383.386 -0.139 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 612029174 KYQGHGLLXKHZCJ-CYBMUJFWSA-N 388.446 -0.242 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 816811614 IBEKLLPOAXEARN-UHFFFAOYSA-N 385.446 -0.018 5 20 GBBD O=C(O)C1(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCS(=O)(=O)CC1 833175829 POGDFKUCPJMEDA-UHFFFAOYSA-N 384.413 -0.033 5 20 GBBD Cc1c(CNC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] 1117520509 GKVXEXWVONLQRU-LBPRGKRZSA-N 398.441 -0.083 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1117538661 HTJLZVKMHGJABE-LBPRGKRZSA-N 384.414 -0.596 5 20 GBBD NC(=O)C1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 1117984581 QCGQLXHMBWHJMG-UHFFFAOYSA-N 376.369 -0.092 5 20 GBBD O=C(N[C@H]1CCOC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1258144092 LPIYDKKAKPVRBG-JTQLQIEISA-N 382.398 -0.154 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 1325943375 XRIATXLPRQAENB-VIFPVBQESA-N 378.311 -0.340 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)NC[C@@H]1COc2ccccc2O1 1592938062 ZJKBTLUEZTVOCV-SECBINFHSA-N 386.328 -0.072 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1cccc(-c2nn[nH]n2)c1 1593310606 RZBMPXVRFADLDR-ZIAGYGMSSA-N 375.389 -0.558 5 20 GBBD NC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1827583773 IGHPDKGCSZTIFX-QWHCGFSZSA-N 393.448 -0.163 5 20 GBBD CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8633154 CFYPJWJGLXRKEC-QMMMGPOBSA-N 392.324 -0.032 5 20 GBBD COC(=O)[C@@H](C)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 263670357 CMUPWHMPUPHKAC-VIFPVBQESA-N 388.402 -0.031 5 20 GBBD CCc1[nH]nc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 264552440 JQSPUIWOYPWVQN-UHFFFAOYSA-N 394.388 -0.977 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 273214752 BFAIKJXZTYMEHI-AWEZNQCLSA-N 399.473 -0.087 5 20 GBBD Cc1c(C(=O)N2CCN(C[C@H](C)O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 275156816 WESIKHZGXBRTEN-JTQLQIEISA-N 386.430 -0.311 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNS(C)(=O)=O 276056860 BCRFUYSFPYRCOV-UHFFFAOYSA-N 381.388 -0.791 5 20 GBBD C[C@H](O)CN(CCO)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 291086406 IUPPTFLEMXRTBD-LBPRGKRZSA-N 389.430 -0.205 5 20 GBBD O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CCNCC2)C1 417948108 SPZGHUHVVDBIPH-UHFFFAOYSA-N 397.457 -0.234 5 20 GBBD O=C1C[C@@H](N(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C2CC2)C(=O)N1 524276089 SOCGTAWILWKJEL-GFCCVEGCSA-N 388.336 -0.274 5 20 GBBD O=C(Cn1ccc(O)nc1=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541753731 YZTFZCBQIUYTKN-UHFFFAOYSA-N 382.354 -0.553 5 20 GBBD O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 552176536 IRLZXAAGWNWLSK-CYBMUJFWSA-N 388.428 -0.009 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 553874394 FFEYRBXMBHZUDE-UHFFFAOYSA-N 384.461 -0.265 5 20 GBBD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1c[nH]nc1[N+](=O)[O-] 558765231 XOLWJVLGJSGMLQ-UHFFFAOYSA-N 383.386 -0.139 5 20 GBBD O=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCN1 564563812 CQFQKTDPYPCRBQ-AWEZNQCLSA-N 376.417 -0.103 5 20 GBBD O=C(Nc1n[nH]c(N2CCNCC2)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 576463626 QDDOQHGXXANWLC-UHFFFAOYSA-N 383.372 0.561 5 20 GBBD O=[N+]([O-])c1cncc(Cl)c1N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 596177684 NTOYOGUDIOQCJD-NWDGAFQWSA-N 376.822 -0.077 5 20 GBBD O=C(NC(CO)CO)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 612556541 KSABEVUZPXYEDM-CQSZACIVSA-N 387.414 -0.393 5 20 GBBD C[S@](=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735106506 YUEPOCZMTOAOFJ-QHCPKHFHSA-N 378.432 -0.449 5 20 GBBD CO[C@H](C)CS(=O)(=O)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 764175561 XLVQUJLVEZWKQL-SNVBAGLBSA-N 388.402 -0.125 5 20 GBBD CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 780360858 TUIHDNZZABZUMD-MRVPVSSYSA-N 375.363 -0.670 5 20 GBBD CCn1ncn(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O 854631411 UBJFRTAZWPYZAU-UHFFFAOYSA-N 384.374 -0.588 5 20 GBBD C[C@@H](NC(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)N(C)C 918998753 PYPUYVYLFDSOBC-SECBINFHSA-N 394.340 -0.361 5 20 GBBD CC(C)(CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)NS(C)(=O)=O 1346264542 QOLCOEZJFPMQEB-UHFFFAOYSA-N 398.441 -0.077 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1606615943 CTDYIKQKINCZTL-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1795528655 OKZCBOVKVLSGRU-KEODLESXSA-N 388.384 -0.367 5 20 GBBD CN(C)C(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 264832277 HJDXWRZLLKDGHF-ZDUSSCGKSA-N 384.414 -0.048 5 20 GBBD O=[N+]([O-])c1c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2sccn12 270873774 AFQLPRLSFPCLAA-ZJUUUORDSA-N 387.443 -0.416 5 20 GBBD CNS(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)co1 271723211 YCATTXVLTNPCOE-TZMCWYRMSA-N 399.381 -0.080 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCSC[C@@H]1C(N)=O 276373149 OUKFERRTYVNYCY-SNVBAGLBSA-N 389.411 -0.027 5 20 GBBD CC(C)NS(=O)(=O)NCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 428410128 DQTQUCSRAXGFKQ-UHFFFAOYSA-N 380.448 -0.153 5 20 GBBD CCN1C[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 456174132 VCDMWOLJMHZSAP-SNVBAGLBSA-N 399.429 -0.219 5 20 GBBD CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 501496626 PUAPDENUGWJTCT-UHFFFAOYSA-N 389.434 -0.159 5 20 GBBD O=C1C[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1 542638101 XQRNUXXIRCDUQB-GXFFZTMASA-N 382.398 -0.247 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(=O)N1 599175657 GUHRXWRYQJOTSZ-MFKMUULPSA-N 384.414 -0.096 5 20 GBBD O=C(O)[C@H](CN1CCOCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 1330675586 SRRJMCIWFNAEEH-ZDUSSCGKSA-N 387.414 -0.158 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1340876601 YBVYYPPXDXYONH-AWEZNQCLSA-N 398.441 -0.206 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1783175738 FTPGPUKHETVGHX-HWPZZCPQSA-N 394.388 -0.714 5 20 GBBD O=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nc[nH]c2[N+](=O)[O-])=NN1 1796851750 SINHYWLCHJEZJO-AYMMMOKOSA-N 375.345 -0.554 5 20 GBBD NC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1 1818013426 CVUGGCVITNYEBT-WPRPVWTQSA-N 391.392 -0.367 5 20 GBBD N=C(N)NCC(=O)N1CCCC12CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1842884464 MLWPHDXYNMXUKX-UHFFFAOYSA-N 392.391 -0.037 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828233 IRZMICOTIRTRHB-JTQLQIEISA-N 378.389 -0.667 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 43059831 JFSLAJGZIBHCQJ-NSHDSACASA-N 385.398 -0.217 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 267736082 UZWBSORKOUJXQT-AWEZNQCLSA-N 381.385 -0.062 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N(CCO)CC(=O)O)cc1[N+](=O)[O-] 277276499 PCAVVLUIFUCIST-UHFFFAOYSA-N 377.331 -0.159 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 299646584 USORVTZWEHKQMD-GJZGRUSLSA-N 399.425 -0.412 5 20 GBBD COCCS(=O)(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420716342 CAKYEWPDDMZONR-UHFFFAOYSA-N 381.432 -0.219 5 20 GBBD Cc1c(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 435926644 NNXFGWRRBKFZMH-MNOVXSKESA-N 387.414 -0.075 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O 439742099 SYELXMIJOZMTOL-UHFFFAOYSA-N 393.356 -0.010 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 463432290 ULWNDXLVNPDXOZ-UHFFFAOYSA-N 393.444 -0.062 5 20 GBBD CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O 551042616 PCYOZBQRMUYYRE-RBSFLKMASA-N 399.448 -0.529 5 20 GBBD CCOC(=O)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCOC1 599272106 PIORAEQYBMDFJY-GXSJLCMTSA-N 376.391 -0.035 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2nc(N3CCNCC3)no2)c1 823310100 SJDJBFPMDORDQI-UHFFFAOYSA-N 382.402 -0.092 5 20 GBBD CC(C)(C)OC(=O)N1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 918649539 CMXHWAHUHBZSRS-UHFFFAOYSA-N 383.409 -0.145 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 1117318582 WWITYBODYUSOTB-AWEZNQCLSA-N 393.448 -0.683 5 20 GBBD O=C(C(=O)N1CCN2CCOC[C@@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1325945976 WCOSJOOUCRIZSE-AWEZNQCLSA-N 390.396 -0.273 5 20 GBBD Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n1 1779382137 AUFGRAONDSGARR-HNNXBMFYSA-N 390.360 -0.796 5 20 GBBD O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)CN1 1800519912 FKTFKEANVWKTEE-ZVXAKGHKSA-N 392.368 -0.473 5 20 GBBD CC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998496 MAUKDZNKWLLVKI-AWEZNQCLSA-N 392.416 -0.091 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 264757269 MRNWGZISAPHRMD-UHFFFAOYSA-N 380.401 -0.120 5 20 GBBD Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 411638719 HWQUIMJFSFGYDP-UHFFFAOYSA-N 377.357 -0.694 5 20 GBBD COc1cc(C(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)cc([N+](=O)[O-])c1OC 435708213 XBYIVKWHFQDJRR-NWDGAFQWSA-N 383.357 -0.186 5 20 GBBD CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 477016273 CISKJSATFCYUJJ-UHFFFAOYSA-N 389.434 -0.159 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 501208313 SNNUZGSDNAOHKO-LBPRGKRZSA-N 380.405 -0.667 5 20 GBBD C[C@@H](CNC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])S(N)(=O)=O 543803642 SEFARLOVBOATSD-QMMMGPOBSA-N 392.821 -0.300 5 20 GBBD CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 569219302 NYDZMBKYYDOMKD-ZDUSSCGKSA-N 385.446 -0.636 5 20 GBBD O=C(NCC(=O)N1CCNCC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 575735035 IPVFKRCRORNPED-UHFFFAOYSA-N 389.412 -0.366 5 20 GBBD COC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 737578373 YWPJSMAWDUKTML-ZETCQYMHSA-N 390.326 -0.339 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ncccn2)c1-c1nn[nH]n1 826500356 VMVAXPHWBGYOOW-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD COc1ccc(S(=O)(=O)NC(=O)CN2CC(=O)N(C)C2=O)c([N+](=O)[O-])c1 860450239 TWFLLSMGGOFAST-UHFFFAOYSA-N 386.342 -0.698 5 20 GBBD CNS(=O)(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1591220212 LCLAOGYMRCWNMS-UHFFFAOYSA-N 382.406 -0.330 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C(O)O)CC1 1824025225 VVEFPEDRFUZFOF-LLVKDONJSA-N 381.389 -0.138 5 20 GBBD CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1843337622 QTPBYSAHSABRQY-SECBINFHSA-N 379.377 -0.418 5 20 GBBD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847738140 CUCYJDVXQCTDEJ-XBFCOCLRSA-N 392.416 -0.092 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1847854328 NIHHNYLYJDUXKK-WXHSDQCUSA-N 378.389 -0.495 5 20 GBBD COc1ccc(NC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)c([N+](=O)[O-])c1 18579907 ZGLWIHIVAAYJPS-UHFFFAOYSA-N 378.297 -0.365 5 20 GBBD COC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 280069845 XNCWSWFNSQHLTI-SNVBAGLBSA-N 376.391 -0.820 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 291211925 HLILJVWVVYVJID-GFCCVEGCSA-N 389.368 -0.735 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)CO 297881194 UTKPAEKNZZZBPM-KGLIPLIRSA-N 394.428 -0.166 5 20 GBBD CNCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 423158298 NVOUZHPDOKKYBX-UHFFFAOYSA-N 383.430 -0.382 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC(=O)N1C 460016222 MICSRJGABZWZRQ-CYBMUJFWSA-N 389.412 -0.068 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CCO1 468905671 JHRYXRUQXVMYQU-LBPRGKRZSA-N 387.370 -0.435 5 20 GBBD CC(=O)N1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 499136385 NCBACUNGSMFOFH-GFCCVEGCSA-N 384.414 -0.142 5 20 GBBD NS(=O)(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 732662824 ZIDOPNBTKMMUGN-LBPRGKRZSA-N 384.414 -0.066 5 20 GBBD COC[C@@H](C)S(=O)(=O)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 733715700 YRVOQMSQYPZAAG-SNVBAGLBSA-N 388.402 -0.125 5 20 GBBD Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 761021155 LMNSHAYVJMVATF-QMMMGPOBSA-N 388.358 -0.897 5 20 GBBD COC(=O)CNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 911517221 ZGEAEKNYXKDWIY-JTQLQIEISA-N 381.341 -0.146 5 20 GBBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)C(=O)NC2CC2)CC1 917388398 CAVNBBYZEOZJHS-UHFFFAOYSA-N 375.385 -0.118 5 20 GBBD O=C(C(=O)N(CCO)C1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1261308998 XZTHQFSHNSXEMF-UHFFFAOYSA-N 390.396 -0.138 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(O[C@@H]2CCOC2)CC1 1345351609 UKFCUCLWTLYOMK-CQSZACIVSA-N 381.389 -0.296 5 20 GBBD CCOC(=O)[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 1346014907 PSPIRLZSMZTXMN-CYBMUJFWSA-N 385.398 -0.025 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1779378689 GJERDXWRKFBAFC-WBMJQRKESA-N 379.373 -0.060 5 20 GBBD CN(C)C(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796849794 FBKRXHZSPOVAMD-JGPRNRPPSA-N 393.404 -0.159 5 20 GBBD COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835230630 JLGOJVLIYMVBIF-MRXNPFEDSA-N 397.388 -0.576 5 20 GBBD O=C(c1cc(CO)on1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412317 OGAVJPOJNVBHER-UHFFFAOYSA-N 376.329 -0.071 5 20 GBBD N=C(N)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc([N+](=O)[O-])ccc1F 1848055615 VRNDAFKCWNSAKO-KBPBESRZSA-N 392.391 -0.039 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CCOCC1 10205145 BCBWYTUXGARBRV-UHFFFAOYSA-N 382.398 -0.201 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 43930361 AFKSSKYIGJBDDW-UHFFFAOYSA-N 379.373 -0.895 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCS(=O)(=O)CC1)OCCO2 264080242 RBVQMJWTOODUAT-UHFFFAOYSA-N 378.384 -0.215 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CC(O)C1 265511220 ZTQJGZGXTDEVQJ-UHFFFAOYSA-N 386.430 -0.614 5 20 GBBD NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 286392659 KZFCCKFZLFFXQU-LLVKDONJSA-N 394.203 -0.032 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 428177576 SSXNRWHSFVXYGZ-GFCCVEGCSA-N 393.400 -0.317 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)c(C)c([N+](=O)[O-])c1 487774606 XIWGEMXDLBTIAZ-GHMZBOCLSA-N 381.341 -0.418 5 20 GBBD COc1cc(CCNC(=O)NCC(=O)N2CCNCC2)c([N+](=O)[O-])cc1OC 519695497 XXXFHIYUCYGCHM-UHFFFAOYSA-N 395.416 -0.115 5 20 GBBD COC[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 525776560 CLJQFXFLHIVADR-CQSZACIVSA-N 375.403 -0.223 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCCCN2CCCC2=O)c1=O 551059987 XSKGLSAOQZPWKG-UHFFFAOYSA-N 380.357 -0.328 5 20 GBBD C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 576602844 FQBCWIWDTDYOQU-QWHCGFSZSA-N 395.416 -0.771 5 20 GBBD CN1CCC(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)(N2CCOCC2)CC1 580769555 VSTVAGWZPNSGNI-MRXNPFEDSA-N 382.465 -0.462 5 20 GBBD CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 591113603 PEDSQJAVUUQASK-LLVKDONJSA-N 388.402 -0.241 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 592912311 XJZOURVVFJWWLI-QWRGUYRKSA-N 386.382 -0.006 5 20 GBBD O=C(O)NCC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 739936212 ILKBRPXQYAVXON-UHFFFAOYSA-N 389.342 -0.211 5 20 GBBD COC(=O)CCCS(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 782606075 JAQDYYSBSRICFL-UHFFFAOYSA-N 387.370 -0.276 5 20 GBBD C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)NCCN1CCOCC1 805969783 RGHMUEJMHWGNCY-LBPRGKRZSA-N 383.405 -0.094 5 20 GBBD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793395765 RHUVDXZCGQVKCC-UWSPEPLBSA-N 395.416 -0.072 5 20 GBBD C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1840020290 QBFCCIVQXIKINJ-ZBEGNZNMSA-N 383.357 -0.361 5 20 GBBD Cc1c(C(=O)NCCCNS(C)(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 266788731 DUXILAZJGBHZIP-UHFFFAOYSA-N 394.431 -0.780 5 20 GBBD COCCOCCS(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273527930 PXCQZRMGKZPPQT-UHFFFAOYSA-N 396.443 -0.049 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 275074339 HMUKXDSUIHHXEX-SECBINFHSA-N 382.347 -0.394 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@@H]2C1 372691938 FWZDFZPZGYRTGB-CYBMUJFWSA-N 375.385 -0.126 5 20 GBBD CCn1cc(S(=O)(=O)N2CC(n3cc(C(=O)OC)nn3)C2)c([N+](=O)[O-])n1 501984232 CQRUJNNEGAWHSL-UHFFFAOYSA-N 385.362 -0.565 5 20 GBBD NC(=O)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1I 512763013 HXSGBWPGMPIXPF-QMMMGPOBSA-N 379.110 -0.225 5 20 GBBD CN1CCN(C(=O)CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 521470199 DVEXAVLMAKINCL-UHFFFAOYSA-N 399.429 -0.864 5 20 GBBD COC[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 531498841 OWQHWFCYMZLHEY-HNNXBMFYSA-N 387.414 -0.175 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 592321865 CTZABMNULJLQBF-KOLCDFICSA-N 381.341 -0.076 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)CCCC(=O)O)cc([N+](=O)[O-])c1 738167871 ILLBOMXNEMDKCT-UHFFFAOYSA-N 394.383 -0.077 5 20 GBBD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCCn1cc([N+](=O)[O-])cn1 789113261 RTYJGJIDVUMOBG-OAHLLOKOSA-N 395.372 -0.050 5 20 GBBD Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCNCC2)c1[N+](=O)[O-] 1329389032 OACYLYWTTBHNRA-RYUDHWBXSA-N 377.405 -0.013 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)n2C)CC1 1526711930 SPWXDHBCSWGHIX-UHFFFAOYSA-N 385.406 -0.088 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC2(CCN(C(=O)C(O)O)CC2)C1 1806926753 FREOUKMXQACHQU-UHFFFAOYSA-N 381.389 -0.667 5 20 GBBD Nc1n[nH]c(CCC(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)n1 1844411839 LLAMZKRJRJMROW-UHFFFAOYSA-N 389.376 -0.532 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 299010887 LTEWZVIOOOSAPB-UHFFFAOYSA-N 386.434 -0.827 5 20 GBBD O=C(NC1[C@H]2CNC[C@H]12)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 418682048 ZFVOJVZCYKMKFT-RYUDHWBXSA-N 395.441 -0.172 5 20 GBBD C[C@H]1NC(=O)N(CCN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 420970023 DSBJWJYPSKSVQB-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 469362088 KPIWALBKXPSDJO-SNVBAGLBSA-N 398.353 -0.694 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 516665313 ZHICRWYUONCSRY-AAEUAGOBSA-N 395.803 -0.365 5 20 GBBD NS(=O)(=O)N1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 532965777 RCSLLJAYVKFLBN-UHFFFAOYSA-N 385.402 -0.286 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)C1 563232046 SBGNPXDXEAHYBM-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD COC(=O)c1cncnc1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 571233953 TVEXRDOCNRQMCD-UHFFFAOYSA-N 381.370 0.562 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 578992274 OEESLTWYFAHOBQ-SNVBAGLBSA-N 391.427 -0.238 5 20 GBBD CS(=O)(=O)C1(CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 580268680 IKFWIZDHZFCIMT-UHFFFAOYSA-N 381.366 -0.116 5 20 GBBD CCOCCS(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 732506808 UQWSJYCLOSEADI-UHFFFAOYSA-N 385.354 -0.327 5 20 GBBD COC(=O)CN(CC(=O)O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 737614920 HNHMUUJBPZZFCJ-MRXNPFEDSA-N 394.340 -0.121 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)C[C@@H]1CCCO1 781513827 SUNLRGNFUQBMSM-VIFPVBQESA-N 397.365 -0.184 5 20 GBBD Cn1ncc(C(=O)COC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 791792712 HKJUGVYARMUAKN-UHFFFAOYSA-N 376.329 -0.051 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(C(=O)N2CCOCC2)CC1 1319473171 DJHVHKVNTIYPAV-UHFFFAOYSA-N 379.373 -0.647 5 20 GBBD CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1604268192 KKFDLODTJHSWTG-QMMMGPOBSA-N 383.390 -0.080 5 20 GBBD CNS(=O)(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1609290881 IQFRLEWSJDQXGM-UHFFFAOYSA-N 382.406 -0.203 5 20 GBBD NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1783151196 JPZGGTJPBWWRDL-HNNXBMFYSA-N 380.361 -0.973 5 20 GBBD CN(C)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 54104584 LXXQHYSCCASCLF-UHFFFAOYSA-N 399.429 -0.301 5 20 GBBD CN[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 262559008 QHMKVRROHOBYJY-CQSZACIVSA-N 396.429 -0.317 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C2 276116745 ARNSKGZQGYATAA-UHFFFAOYSA-N 388.384 -0.374 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 276181886 APENOEHTSLMNSL-TZMCWYRMSA-N 385.398 -0.784 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N(C)[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 286471591 VVPIXJDGDDSTOB-HUUCEWRRSA-N 388.446 -0.369 5 20 GBBD CCOC(=O)[C@H]1NCC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 422937494 CNNJGXDNSMQQDW-KBPBESRZSA-N 386.430 -0.244 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)c([N+](=O)[O-])n1 533632468 GPADBWVGWRGZEV-JTQLQIEISA-N 395.463 -0.098 5 20 GBBD C[C@H]1C(=O)N(C)CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 591964871 XUGSIDPVGPZLID-JTQLQIEISA-N 385.402 -0.297 5 20 GBBD CN(CCN1CCNCC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 592469393 MVXYEUAESNQUAM-UHFFFAOYSA-N 385.446 -0.763 5 20 GBBD Cc1sc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 599488968 KZRKSYMQRZLXAL-UHFFFAOYSA-N 384.461 -0.089 5 20 GBBD C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)N(C)C 726892476 AFUWLCQQOSWSFA-DYZYQPBXSA-N 391.384 -0.045 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 748117273 HBYRNUQKFPHAFI-MNOVXSKESA-N 386.386 -0.630 5 20 GBBD Cn1ncc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 805994219 MTHAEECLEGRMNM-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1321780880 HHDOXWIUFKRHGW-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1325178620 OVYWXPHCRCEJJP-AWEZNQCLSA-N 397.409 -0.170 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 1346384682 ZSGBIJFVLNHRAR-QWHCGFSZSA-N 379.373 -0.435 5 20 GBBD CCN1C[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O 1590729029 HKSPDRNEINJEBT-VIFPVBQESA-N 395.401 -0.078 5 20 GBBD Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1794568506 ITRVXQJRESWITR-DDFAGTSDSA-N 390.356 -0.167 5 20 GBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)O)C3)ncc1[N+](=O)[O-] 1796603068 CUBMAIVWRDGRRN-OHTBPHCPSA-N 378.385 -0.118 5 20 GBBD CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798747612 LRIWPAPFEMWUFQ-QHBPRCKVSA-N 379.373 -0.738 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCOCCS(N)(=O)=O 296053974 ORWWGUWQWSFKFS-UHFFFAOYSA-N 385.395 -0.374 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCS(=O)(=O)N(C)C 461638218 RINWJQFNWBNIKU-SNVBAGLBSA-N 376.439 -0.165 5 20 GBBD NC(=O)Cn1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 476808556 QPZVYHBDKINKCH-UHFFFAOYSA-N 383.342 -0.151 5 20 GBBD C[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 564824744 ZWEYYROYIVLCOF-KRWDZBQOSA-N 391.384 -0.038 5 20 GBBD CN(CC(=O)N1CCOC[C@H]1C(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 590645303 NSBXYOOWZCSPIP-LBPRGKRZSA-N 387.370 -0.473 5 20 GBBD COc1cc(CCNC(=O)Cn2cnc(C(N)=O)n2)c([N+](=O)[O-])cc1OC 593393732 ZUIJFWKUUCXZAQ-UHFFFAOYSA-N 378.345 -0.339 5 20 GBBD NS(=O)(=O)NC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 599489238 STEAIGXHTVXRJU-UHFFFAOYSA-N 382.395 -0.320 5 20 GBBD CC[S@](=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735109791 KBEHTYUQNCSCKP-DEOSSOPVSA-N 392.459 -0.059 5 20 GBBD C[C@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783379793 UNGQMVOHFWQQQN-VHSXEESVSA-N 388.402 -0.239 5 20 GBBD COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1326580991 IORKCJSJBFDGQP-ZIAGYGMSSA-N 393.400 -0.753 5 20 GBBD CCOC(=O)[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 1346014935 PSPIRLZSMZTXMN-ZDUSSCGKSA-N 385.398 -0.025 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCO[C@H](c2ccc(-c3nn[nH]n3)cc2)C1 1592941392 JJPBWTIHOVIROV-LBPRGKRZSA-N 385.344 -0.034 5 20 GBBD CNS(=O)(=O)NC1CCN(c2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])CC1 1604897941 XWUPNAMOKIMNAK-UHFFFAOYSA-N 388.435 -0.141 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1604926602 GYSCGJOJGUWSCZ-LBPRGKRZSA-N 396.385 -0.453 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788810021 YNSIJCANQDQNNB-GVXVVHGQSA-N 391.384 -0.110 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828176 BBRJDAJYFMRCSL-SNVBAGLBSA-N 378.389 -0.667 5 20 GBBD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847446475 DWXPUVQNTPGQMT-STQMWFEESA-N 377.353 -0.344 5 20 GBBD CS(=O)(=O)NCCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 29869896 PUAQGFAWABQVLJ-UHFFFAOYSA-N 376.416 -0.549 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)NCCN)C1 415373946 USJRJTWLGFHBEY-LLVKDONJSA-N 393.400 -0.145 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)Cn2cnnc2O)c([N+](=O)[O-])c1 435935392 JHCIXTRUCVUUEQ-UHFFFAOYSA-N 384.374 -0.476 5 20 GBBD CN(C)S(=O)(=O)N[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 457884060 XULYRKXQBCBPQI-CYBMUJFWSA-N 388.450 -0.138 5 20 GBBD NC(=O)[C@H]1CC[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)O1 470234181 UBSZFUSMZSGNQR-QWHCGFSZSA-N 379.373 -0.457 5 20 GBBD CN(CC(=O)N[C@@H]1CC[S@@](=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 474940154 CPEZHMTXPLYIGV-DJNLSKAYSA-N 375.428 -0.148 5 20 GBBD COCC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 516316333 PVYQPKITXYQBHT-UHFFFAOYSA-N 385.398 -0.071 5 20 GBBD CN1CCN(CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 516845876 BTMVCRRCKWUCAM-UHFFFAOYSA-N 377.401 -0.316 5 20 GBBD CC(C)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 589103266 HJEUAKGLYVBHPG-UHFFFAOYSA-N 385.446 -0.111 5 20 GBBD CN(C)CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1=O 593784949 WSLLZPJSJBBGOL-UHFFFAOYSA-N 399.429 -0.912 5 20 GBBD C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)NC(N)=O 594213635 XWHIGRGYXHNFQH-NSHDSACASA-N 399.429 -0.125 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 594776810 JVJFGEZYZBJICP-GFCCVEGCSA-N 380.400 -0.569 5 20 GBBD NC[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 595931803 YLMVZRRNGFQLTO-CABCVRRESA-N 398.441 -0.209 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598609464 YCDHKCKXAUTIBC-NSHDSACASA-N 386.434 -0.085 5 20 GBBD CN(C)C(=O)CN1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 1598129903 FZOCFFSEGAKQBN-UHFFFAOYSA-N 393.400 -0.381 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788812784 QXLKARDQSVINDR-GAFUQQFSSA-N 389.372 -0.052 5 20 GBBD O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CCN1 1846423306 UFDRZGYJARUVHG-SNVBAGLBSA-N 376.373 -0.339 5 20 GBBD COC(=O)[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)O 274391238 VNFKEBUVJPZXDL-JMCQJSRRSA-N 376.343 -0.433 5 20 GBBD C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 284091867 SAMRAJWVSGSFLJ-LLVKDONJSA-N 390.400 -0.076 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 498779705 DMDYYPSTRQFBJW-GFCCVEGCSA-N 393.400 -0.554 5 20 GBBD CNS(=O)(=O)c1ccc(N2CC(n3cc(C(=O)OC)nn3)C2)c([N+](=O)[O-])c1 500894690 UFKQQQDVPCEZDQ-UHFFFAOYSA-N 396.385 -0.058 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 541552160 WDWVGZMERIVREQ-UHFFFAOYSA-N 380.386 -0.212 5 20 GBBD CN(CC(=O)N1CC[C@@H](CO)[C@@H](O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545987356 HKCQLKMXFWIDOG-FZMZJTMJSA-N 387.414 -0.583 5 20 GBBD O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)N1CCNCC1 561235046 OKWWJNMNUZIXTK-UHFFFAOYSA-N 391.428 -0.418 5 20 GBBD Nc1nccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1[N+](=O)[O-] 575329209 FPEATGUWKAVVDM-UHFFFAOYSA-N 381.374 -0.558 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCS(=O)(=O)N2CCSCC2)c1 578619502 SMYUFMCYERVHIB-GFCCVEGCSA-N 379.464 -0.880 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCCN2CCN(c3ncccn3)CC2)c1 582482028 QZVFIJQRZDVEDD-MRXNPFEDSA-N 390.448 -0.256 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] 597625083 APMSXLLOCYKPEC-NSHDSACASA-N 383.361 -0.669 5 20 GBBD CS(=O)(=O)NC1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 600339212 HKCSTOACMKJULA-UHFFFAOYSA-N 388.427 -0.454 5 20 GBBD CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)N1CCOCC1 603460350 ZFZNDDLQRXIXJH-UHFFFAOYSA-N 381.389 -0.918 5 20 GBBD CC(=O)NC[C@H]1CN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CCO1 736148120 MJUAQLYFXHUJNM-LBPRGKRZSA-N 380.357 -0.250 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)N(CCO)CCO)cc1[N+](=O)[O-] 778043516 HRTCEZGYINNNOW-UHFFFAOYSA-N 375.359 -0.473 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 833089143 YTNQCKWCRKAQSR-UHFFFAOYSA-N 386.386 -0.661 5 20 GBBD CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H](CO)C1 879003360 YRPIFKSCRVYBHK-QGZVFWFLSA-N 377.445 -0.148 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)N(C)C 1117506655 NQWOEABZPMIECR-LBPRGKRZSA-N 377.401 -0.164 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 1324575685 IKEVTLBFIXMASY-HUUCEWRRSA-N 394.432 -0.333 5 20 GBBD CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1783957906 PXASTFKWVTTWGO-BJDJZHNGSA-N 381.389 -0.318 5 20 GBBD CC(C)CNC(=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411588 IRYCVMBVEWZUIT-UHFFFAOYSA-N 378.389 -0.093 5 20 GBBD CN1CCN(CC(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 1844411761 CZCAIZKCZIDQGS-UHFFFAOYSA-N 391.432 -0.618 5 20 GBBD C[C@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1846380672 VGHJFPOYBHTFQA-OAHLLOKOSA-N 395.372 -0.249 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 45813501 NYKDZBHIIVSCLB-JTQLQIEISA-N 391.427 -0.481 5 20 GBBD COc1ccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 268311762 QDOPQRBOFQFMRG-UHFFFAOYSA-N 386.430 -0.203 5 20 GBBD NC(=O)N[C@H](CO)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 274721793 AUXQMBKLXZBYRB-CYBMUJFWSA-N 391.388 -0.461 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(Cc3nnn(C)n3)CC2)cc1[N+](=O)[O-] 281520173 UNSSEJIIPDTHHY-UHFFFAOYSA-N 397.417 -0.367 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 294514129 KIDCFUWJULEVDX-UHFFFAOYSA-N 380.386 -0.054 5 20 GBBD Cc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 446518854 DDYBLAIAVNDOAD-LBPRGKRZSA-N 385.398 -0.150 5 20 GBBD NS(=O)(=O)CC1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 467005389 KEWHZPVUEJZKKY-UHFFFAOYSA-N 378.432 -0.253 5 20 GBBD O=C(O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 485833141 KKECBJYBKQFUCP-GFCCVEGCSA-N 387.370 -0.425 5 20 GBBD O=C(C(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516548166 HCJIWBWUTVYKNL-NWANDNLSSA-N 389.412 -0.132 5 20 GBBD C[C@@H](NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N(C)C 532733738 DAWNAJQJSUVGIP-CYBMUJFWSA-N 391.428 -0.055 5 20 GBBD CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594755763 YCMJKAAPZGPJOA-UHFFFAOYSA-N 385.402 -0.651 5 20 GBBD COC(=O)c1cn([C@H]2CCCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C2)nn1 599277371 GJCJKQQKOBRIFB-VIFPVBQESA-N 399.389 -0.268 5 20 GBBD NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 615488933 JRABHLUUJHJUGQ-UHFFFAOYSA-N 380.386 -0.072 5 20 GBBD Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 737300460 YGYMOXICNZJTGY-UHFFFAOYSA-N 392.357 -0.215 5 20 GBBD COC[C@@H](CS(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)OC 853207141 ZEJSVHPBNCAJEV-LBPRGKRZSA-N 389.386 -0.568 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1344630860 HKNNRMOSCMGPEZ-UHFFFAOYSA-N 384.414 -0.343 5 20 GBBD Cn1c(-c2nc[nH]c2[N+](=O)[O-])nnc1N1CCN(C(=O)CN2CCCC2)CC1 1526642605 ARIGWIRQRMSYHJ-UHFFFAOYSA-N 389.420 -0.142 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(N(Cc2cnn[nH]2)C(=O)c2cnn[nH]2)CC1 1578029691 KUDLHKCBPXMAKV-DGCLKSJQSA-N 389.376 -0.779 5 20 GBBD CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1591202965 XUXZYHOXHSLYDV-CQSZACIVSA-N 395.401 -0.078 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401953 ZKZOFJQLKCPPHQ-AKZRSSKFSA-N 391.344 -0.736 5 20 GBBD NC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1827646629 WKFNIXKBGOGJHB-STQMWFEESA-N 393.448 -0.163 5 20 GBBD COC(=O)[C@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 267769157 KLIICQGAZRUDRC-GFCCVEGCSA-N 387.370 -0.435 5 20 GBBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)NCCO)ccc1[N+](=O)[O-] 269484406 BLWWJWCLAHXYJB-AWEZNQCLSA-N 378.385 -0.267 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 272751101 SXSKAYXLLZBDNK-UHFFFAOYSA-N 378.389 -0.002 5 20 GBBD CN(CC(=O)NC[C@H]1CC[C@@H](CO)O1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 294048405 VNEYGYUWCONLFQ-OLZOCXBDSA-N 387.414 -0.129 5 20 GBBD C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H](C)CO 297881210 UTKPAEKNZZZBPM-ZIAGYGMSSA-N 394.428 -0.166 5 20 GBBD C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 423705899 PXCUQXPOHIVTPE-GFCCVEGCSA-N 377.401 -0.315 5 20 GBBD Cn1nncc1S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 480478949 OLXRVOYWEBNHFT-UHFFFAOYSA-N 386.415 -0.069 5 20 GBBD NC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)nc1 525699788 QRPXGRNECRFPLP-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD NC(=O)CN1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1=O 572960990 CHRDUJPIYGMOAB-UHFFFAOYSA-N 388.384 -0.042 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 592321038 HEPZVRPSOYFMJG-ONGXEEELSA-N 381.341 -0.076 5 20 GBBD COC(=O)[C@H]1CNCCCN1C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 592551211 DZLNJSKIGBYMQO-CQSZACIVSA-N 378.385 -0.003 5 20 GBBD CS(=O)(=O)CCCOC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796274131 UVIMURKKDJOEDK-UHFFFAOYSA-N 380.400 -0.149 5 20 GBBD Cn1c(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)c2n(c1=O)CCCC2 847894792 PGFYJDJCMCSVLN-UHFFFAOYSA-N 381.370 -0.055 5 20 GBBD O=C(NCCc1cn2c(n1)SCC2)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261161127 PTSKVHNCWSEGOW-UHFFFAOYSA-N 379.402 -0.431 5 20 GBBD CNS(=O)(=O)c1ccc(NCCc2cn(CC(=O)O)nn2)c([N+](=O)[O-])c1 1777099208 ISAVIHCYXJLPKR-UHFFFAOYSA-N 384.374 -0.166 5 20 GBBD COC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403340 IDUKVUAPXNZSMB-YFKTTZPYSA-N 381.389 -0.196 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834912700 MBQDEIPJMANIPO-AWEZNQCLSA-N 389.315 -0.347 5 20 GBBD CC1(C(=O)N2CC3(CCCN3C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)COC1 1845823400 ASTVZZSOFOPXLY-UHFFFAOYSA-N 390.396 -0.004 5 20 GBBD CO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825402 XSGQQOJJHCFICJ-LBPRGKRZSA-N 378.385 -0.005 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 50956013 WCAYVROWXJFECH-ZANVPECISA-N 380.357 -0.423 5 20 GBBD CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 52383780 SMDXPKVQTOFTCV-UHFFFAOYSA-N 377.401 -0.395 5 20 GBBD CN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O 265846403 YJXOGZNCKNLMFZ-NSHDSACASA-N 399.429 -0.207 5 20 GBBD O=C(CNC[C@H]1CCCO1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 269236430 WUEYJDFYAIEVIJ-GFCCVEGCSA-N 386.430 -0.242 5 20 GBBD O=C(CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 272951335 NYHXRVQDIXWHKM-AAEUAGOBSA-N 397.409 -0.186 5 20 GBBD COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)OC 299219099 LQZFSKDBUSWGIP-NSHDSACASA-N 388.354 -0.167 5 20 GBBD O=C(NC[C@@H]1CCCN1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419894963 ODCJNGGEXRTDSB-AWEZNQCLSA-N 389.412 -0.253 5 20 GBBD CN[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 423402501 XTZLEVMQQRQZAQ-CQSZACIVSA-N 389.412 -0.301 5 20 GBBD COC(=O)[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C(=O)OC 442114626 YOKKGYAWBCBPPB-QMTHXVAHSA-N 381.341 -0.290 5 20 GBBD COC[C@H](O)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 498616203 ZWAJUWKKMWTJLS-GFCCVEGCSA-N 375.403 -0.223 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)c([N+](=O)[O-])c1 499766396 QVYQMHFVXMOJEB-GFCCVEGCSA-N 386.430 -0.290 5 20 GBBD C[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 532813850 IRKVVDNULNINEE-SNVBAGLBSA-N 393.443 -0.235 5 20 GBBD O=C(NCCCn1ccnn1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 542305384 RMUCFIBIGNTARA-UHFFFAOYSA-N 397.417 -0.146 5 20 GBBD CN(CCN1CCCS1(=O)=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596146573 DHZGASIHEKOVGK-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N[C@H]2Cc3cncn3C2)c([N+](=O)[O-])c1 598944150 XUGKTIXSALRGCS-JTQLQIEISA-N 394.413 -0.018 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 604465041 MCZWKVUPXVLDNZ-UHFFFAOYSA-N 386.430 -0.333 5 20 GBBD NC(=O)c1ccc(SCC(=O)N[C@H](CO)CN2CCOCC2)c([N+](=O)[O-])c1 619871058 IWPHPBSGEOAGNJ-LBPRGKRZSA-N 398.441 -0.405 5 20 GBBD O=C1CCN(CC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(=O)N1 733560706 LOGACKQAKWYQJG-UHFFFAOYSA-N 376.325 -0.031 5 20 GBBD CN(C(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccc([N+](=O)[O-])cc1 748427916 QSVJSXIFIVXRRY-UHFFFAOYSA-N 397.369 -0.355 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 783760423 XGFNKVRDCKQYTQ-LLVKDONJSA-N 384.414 -0.048 5 20 GBBD NC(=O)c1cn(CCOC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)nn1 805944501 MOVBDIFXFKSMDI-UHFFFAOYSA-N 390.356 -0.021 5 20 GBBD O=C(CO[C@@H]1CCCNC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 843442254 NJGYXMHGHGSOBF-GFCCVEGCSA-N 386.430 -0.242 5 20 GBBD CS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893953 VBTIRBWQTAZJMS-JTQLQIEISA-N 392.415 -0.391 5 20 GBBD CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)C1 1605996702 OANPNUFISFHFEP-UHFFFAOYSA-N 387.370 -0.229 5 20 GBBD Cc1noc(CC(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)n1 1841999401 OKYUDTMLWNEESB-UHFFFAOYSA-N 389.372 -0.071 5 20 GBBD CNS(=O)(=O)c1ccc(NCCS(=O)(=O)NC2CC2)c([N+](=O)[O-])c1 25501713 DIOJMBVRGDEQEU-UHFFFAOYSA-N 378.432 -0.003 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1(CO)COC1 269736559 XZRUPXNMHWVRCR-UHFFFAOYSA-N 388.402 -0.819 5 20 GBBD O=[N+]([O-])c1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 271073826 WKJTXNZGRRSIPR-ZIAGYGMSSA-N 386.386 -0.217 5 20 GBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 275181861 WRHGMISCHGGYDF-JTQLQIEISA-N 378.384 -0.224 5 20 GBBD CCN1CCN(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C(=O)C1=O 276144031 BVVSANZFAJUCBM-UHFFFAOYSA-N 376.369 -0.125 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(CCC(=O)NC(N)=O)CC2)c([N+](=O)[O-])c1 282235760 UOYJVOBBZXTDAM-UHFFFAOYSA-N 399.429 -0.295 5 20 GBBD COc1cc(CCNC(=O)C(=O)N2CCNC(=O)[C@H]2C)c([N+](=O)[O-])cc1OC 284212243 FZUPIKRGJQISAN-SNVBAGLBSA-N 394.384 -0.382 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 411681900 WPTUOQGVRASNCT-CYBMUJFWSA-N 380.357 -0.095 5 20 GBBD COc1cc(OCC(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)ccc1[N+](=O)[O-] 435702352 YWKPYCXJDBVZIC-QWHCGFSZSA-N 383.357 -0.430 5 20 GBBD O=C(NCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)NCc1ccc([N+](=O)[O-])cc1 489562541 FKFCASLUPGFRKA-GFCCVEGCSA-N 390.356 -0.843 5 20 GBBD Cn1cc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c(=O)n(C)c1=O 540695606 ASPYCYQTHLZXHY-UHFFFAOYSA-N 380.342 -0.331 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)NC3=O)CC2)cc1[N+](=O)[O-] 584061007 UBUXXEKULAEWGE-GFCCVEGCSA-N 398.397 -0.675 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593532871 VAVAHYGGMSVKPD-UHFFFAOYSA-N 383.386 -0.899 5 20 GBBD Cc1nn(CCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c(C)c1[N+](=O)[O-] 597739040 WPLRJQCYGARSIE-GFCCVEGCSA-N 388.450 -0.028 5 20 GBBD COC(=O)c1cn(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])nn1 598622336 IDRFKQSVUUPLKH-UHFFFAOYSA-N 378.349 -0.288 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2cccnc2)CC1 603874984 YOOSZGNROZEJLV-UHFFFAOYSA-N 380.386 -0.281 5 20 GBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1O 611661220 OHQFNZYWTPXUPN-MHDGFBEUSA-N 399.425 -0.442 5 20 GBBD CCOC(=O)C1=C(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)NC(=O)N[C@H]1C 748916244 GRNGLPBUDGCDLZ-VIFPVBQESA-N 394.340 -0.182 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 795103777 HBQFBPJWAIBWNO-UHFFFAOYSA-N 380.404 -0.887 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)Nn3c(O)nnc3O)cc2[N+](=O)[O-])CC1 816732035 PSRYAUYJXYMLEA-UHFFFAOYSA-N 391.344 -0.350 5 20 GBBD Cn1cc(C(=O)NCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n(C)c1=O 1592565252 KRYDNHLGBZSFPP-UHFFFAOYSA-N 387.360 -0.346 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792352595 BSEWXHCRFQWNFZ-ZVXAKGHKSA-N 394.384 -0.098 5 20 GBBD Cn1ncnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1794910244 QYQWHVXGRCDGIA-ZSBIGDGJSA-N 388.388 -0.128 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797150004 RRKWJUKIAXRCAA-VZYVEOEESA-N 379.373 -0.708 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832122178 FQTKEATZPPIDSU-GDLVEWKHSA-N 397.363 -0.254 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 45521162 CJSWPWQDEKTZBW-JTQLQIEISA-N 387.370 -0.344 5 20 GBBD CC(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 53526838 OGZDRIDSLYJBNZ-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 264822224 ZAAHHMLSUUIMMG-UHFFFAOYSA-N 380.401 -0.120 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)O1 268351087 NHKIMWMUVLXMSY-SCZZXKLOSA-N 387.370 -0.323 5 20 GBBD O=C1CN(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 272958451 NHVGEGUVTNZMGV-UHFFFAOYSA-N 376.417 -0.142 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 272991832 NGVALDQXUZAOIU-UONOGXRCSA-N 390.352 -0.022 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCCN2C(=O)CNC2=O)ccc1[N+](=O)[O-] 273112367 WNKMHYSRIZRMGB-UHFFFAOYSA-N 377.357 -0.309 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 273577715 JUUDYFRTUSPMDA-VIFPVBQESA-N 396.422 -0.072 5 20 GBBD C[C@H]1OCC[C@H]1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 275983286 FEUAYUXNXITLTM-ZYHUDNBSSA-N 393.443 -0.030 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CC(=O)N(C3CC3)C2)c([N+](=O)[O-])c1 279600172 GFUBPALGIPHDNP-UHFFFAOYSA-N 397.413 -0.165 5 20 GBBD O=C(N[C@@H]1COC[C@H]1O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 296852739 HPJMUGFVSIRAMP-KCPJHIHWSA-N 399.425 -0.129 5 20 GBBD O=C(C(=O)N1CC[C@H]2CNC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423588292 GNRFYDOCZWQZDB-KBPBESRZSA-N 388.428 -0.294 5 20 GBBD Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] 429945893 OZBDRHTYEPABFT-UHFFFAOYSA-N 387.418 -0.210 5 20 GBBD COc1ccc(S(=O)(=O)N2CC(NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc1 537504995 FQHJTCSJZUIVKP-UHFFFAOYSA-N 396.385 -0.616 5 20 GBBD COC(=O)c1cnc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 569443349 IVGITHYDBBYKDP-UHFFFAOYSA-N 381.370 0.562 5 20 GBBD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 594780133 GENQWEFZLFUYMB-UWVGGRQHSA-N 378.432 -0.014 5 20 GBBD CNC(=O)NC[C@@H]1CN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CCO1 599127241 ANKQHGDGGUJLHG-SNVBAGLBSA-N 387.418 -0.363 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)n1 599413496 YATGYVSSYZPDOT-SECBINFHSA-N 393.389 -0.677 5 20 GBBD CCNC(=O)CNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 603747768 JRHXBOAFKOUMKL-UHFFFAOYSA-N 387.418 -0.155 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)[C@@H]1CCOC1 733720768 GUOOVBLHLFZULF-SNVBAGLBSA-N 385.354 -0.445 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744049361 VWSBGLKLXPLMMN-MHWZDGSBSA-N 378.341 -0.195 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC2(CO)COC(C)(C)OC2)cc1[N+](=O)[O-] 834479823 VAWSNKWVDMHOQK-UHFFFAOYSA-N 397.384 -0.037 5 20 GBBD Cn1cncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383080 KTCQSIZTECGJQQ-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797149671 VSEVRXLGURSTCR-PZJJNSSQSA-N 393.400 -0.848 5 20 GBBD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 1799629903 WAZQJGHXXZNFOI-JLUCKKNBSA-N 395.391 -0.777 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836631158 WCEVQNLMLWJPOK-UHFFFAOYSA-N 397.388 -0.759 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)C(O)O)C3)c1 1844701301 REIWZBWZROWQOL-UHFFFAOYSA-N 378.385 -0.212 5 20 GBBD CN(CC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)C(=O)C(=O)O 1845810228 SNBVGSDLFVEEKJ-UHFFFAOYSA-N 393.356 -0.717 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] 275160276 SZRKXTIWMUWWMZ-LDYMZIIASA-N 387.370 -0.057 5 20 GBBD COCCN1CC[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 286672127 RXCGAAGFBFHMCI-LLVKDONJSA-N 390.400 -0.076 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCS(=O)(=O)N(C)C 290274978 BQWNZWQEYUJWRW-UHFFFAOYSA-N 376.366 -0.012 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 425601181 FVYNBJDWOLHINW-GFCCVEGCSA-N 398.397 -0.185 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCN3)CC2)cc1[N+](=O)[O-] 444157102 PUGZHKNROWNISJ-GFCCVEGCSA-N 384.414 -0.202 5 20 GBBD CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 460473092 AVOJRGGVDOKWRH-AWEZNQCLSA-N 390.370 -0.042 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)OC)[C@@H](C)O 468987444 MPELMQFYUZVPAD-RDDDGLTNSA-N 376.343 -0.418 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 476371973 DXAIWBBWTSMOHC-LBPRGKRZSA-N 382.421 -0.373 5 20 GBBD CNC(=O)c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])c1 501248416 NSQYATAABPPDMY-GJZGRUSLSA-N 398.441 -0.766 5 20 GBBD CN1CC[C@H](N2CCC(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)C1=O 572156051 WWFQPMDUYFWLRY-AWEZNQCLSA-N 377.401 -0.432 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 596179422 LQNHYNJDVZJGAY-UHFFFAOYSA-N 387.418 -0.105 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 599488727 CRUFCAOCAOXYIQ-UHFFFAOYSA-N 394.431 -0.450 5 20 GBBD CCN1CC[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 619825570 RQSNAMHDWCBHES-LBPRGKRZSA-N 399.429 -0.219 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCCn2cncn2)cc1[N+](=O)[O-] 727180130 MJEIFQFPUNJLIG-UHFFFAOYSA-N 384.374 -0.250 5 20 GBBD Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)ccc1[N+](=O)[O-] 734494087 BOELUFNOHRVYPK-UHFFFAOYSA-N 393.443 -0.156 5 20 GBBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 785211243 KRJAHUDTUAGAEL-JTQLQIEISA-N 381.732 -0.051 5 20 GBBD O=C(NS(=O)(=O)c1cc([N+](=O)[O-])cs1)C1(n2cnnn2)CCOCC1 850836434 AFWLCSZRBJEBNC-UHFFFAOYSA-N 388.387 -0.346 5 20 GBBD C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1c1nccn2cnnc12 1319470217 FLZVFFFGYZYTJO-GFCCVEGCSA-N 398.383 -0.069 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1325855735 ZXALRRIUEGJURD-UHFFFAOYSA-N 376.369 -0.246 5 20 GBBD O=C(COCCO)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419528 CZCLGIOSDACJIE-INIZCTEOSA-N 382.373 -0.625 5 20 GBBD CS(=O)(=O)CCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000808 QXUFCJZKTJQGAB-UHFFFAOYSA-N 399.429 -0.571 5 20 GBBD CN(CCCNC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)S(C)(=O)=O 54917491 KKHIJLVZOWBEHT-UHFFFAOYSA-N 398.239 -0.049 5 20 GBBD C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCS(N)(=O)=O)CC1 266854908 GHUFJMPJLZKEIK-GFCCVEGCSA-N 385.446 -0.172 5 20 GBBD Cc1cc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 267887710 RTZHSKIOSUZYCM-UHFFFAOYSA-N 392.459 -0.502 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 276509300 QZSHCENPSRCQGK-JSGCOSHPSA-N 385.398 -0.784 5 20 GBBD COCCN1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O 282365954 DQJDFTVNSOBKIC-UHFFFAOYSA-N 376.325 -0.535 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 288621412 OKTUINGAUUNZBX-LBPRGKRZSA-N 384.776 -0.380 5 20 GBBD COCCOCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299228271 QKZSBVTXFKHUGM-UHFFFAOYSA-N 390.418 -0.177 5 20 GBBD COC(=O)[C@H]1CN(C)CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 413915196 HEDHQQUGPFNFFJ-ZDUSSCGKSA-N 378.385 -0.112 5 20 GBBD CCOC(=O)[C@@H]1NCC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 422937496 CNNJGXDNSMQQDW-UONOGXRCSA-N 386.430 -0.244 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(S(N)(=O)=O)CC1 439398134 SBWXZMFSEREEQS-UHFFFAOYSA-N 386.386 -0.179 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCc1nc(=O)o[nH]1 447635725 CRCOPJAXLVQLLZ-UHFFFAOYSA-N 385.358 -0.702 5 20 GBBD COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c([N+](=O)[O-])c1 506240368 LYPPIUDFMAHUOH-UHFFFAOYSA-N 384.370 -0.034 5 20 GBBD NC(=O)N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 535711246 AHKLVPUFESFCMK-SNVBAGLBSA-N 385.402 -0.468 5 20 GBBD COC(=O)c1cn(CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)nn1 551439628 OEWXRGNMUAXGDI-UHFFFAOYSA-N 380.292 -0.133 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)NCCN(C)C 552309338 FPPRJECPWQLNKB-LLVKDONJSA-N 393.400 -0.497 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1[N+](=O)[O-] 574101343 NDAMSZHMGCSNCS-GMXVVIOVSA-N 375.385 -0.458 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 599234000 DAGCQBLBNXOJOZ-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 822631947 MOOINTBGAPGTJQ-JSGCOSHPSA-N 387.356 -0.062 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CN(C2CC2)C(=O)O1 848363245 CUTMXDODUIQWRH-NSHDSACASA-N 398.397 -0.028 5 20 GBBD CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1575820317 WZTBAPUOILIVSV-ZYHUDNBSSA-N 388.388 -0.029 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@]1(C(=O)O)CCOC1 1601302473 NBTAQWYFJUZRLY-MRXNPFEDSA-N 379.325 -0.072 5 20 GBBD CNCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379996 RAGYZNGXKWBYLG-INIZCTEOSA-N 380.405 -0.239 5 20 GBBD Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780412572 DXKRGYXQBMETEK-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD COCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477565 ZXDDPPRRSOSXEK-SRVKXCTJSA-N 381.389 -0.052 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845912887 ZTZQJSHJUMNQKL-SNVBAGLBSA-N 397.413 -0.288 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 67134221 CAKCCWZNLZJJHN-UHFFFAOYSA-N 380.386 -0.107 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 264643490 GLNFBHVEJFHSKI-ZDUSSCGKSA-N 389.434 -0.214 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1[N+](=O)[O-] 265093051 DBFZUWOBXSJHDB-UHFFFAOYSA-N 380.390 -0.126 5 20 GBBD CC[C@]1(c2cnn(C)c2)NC(=O)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 270151435 VVQNANMCFNUDJT-SWLSCSKDSA-N 377.361 -0.257 5 20 GBBD COC[C@H](CO)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 290600368 DUHMBBKHZGIGEO-NSHDSACASA-N 376.435 -0.146 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCCNC1 420005230 WGFJVGSRMIEATP-LBPRGKRZSA-N 398.441 -0.257 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 472502768 PVRGPJJXMLDDOS-GFCCVEGCSA-N 399.429 -0.207 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] 533781998 WFTTWNQECSIHCP-SNVBAGLBSA-N 386.386 -0.777 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nnnn2C)CC1 556576690 XGXFDKBJBSMSOF-UHFFFAOYSA-N 381.418 -0.067 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCNC1=O 596651137 PWOLNFQVCMHMQG-LBPRGKRZSA-N 385.402 -0.597 5 20 GBBD COC(=O)[C@H](O)C1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598608794 WNJCSFJSMIQISJ-CYBMUJFWSA-N 381.389 -0.028 5 20 GBBD COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 600023116 IBNZCCXOLNMPPL-ONGXEEELSA-N 385.402 -0.239 5 20 GBBD COc1cc(OCC(=O)NCC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 609532290 KKNYJLQGWQLONX-UHFFFAOYSA-N 396.400 -0.453 5 20 GBBD CN1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 619445102 ZJJUQTPFDKNPRD-NSHDSACASA-N 384.414 -0.048 5 20 GBBD CC(C)c1nnnn1CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 746527282 VBMMQAWRCWGHSG-UHFFFAOYSA-N 397.417 -0.201 5 20 GBBD Cn1ncc(C(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 791780227 YZRIMSVWLWTEOE-UHFFFAOYSA-N 397.369 -0.182 5 20 GBBD CCOC(=O)N1CCC(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 802996727 XGUVPRWZUPUANP-UHFFFAOYSA-N 389.390 -0.142 5 20 GBBD Cc1nn(CC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(=O)n1C 848845810 BYVFOUKABOTENH-UHFFFAOYSA-N 375.341 -0.069 5 20 GBBD COc1ccc(CNC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] 1321993008 SUFOJCCYACGFIC-UHFFFAOYSA-N 394.384 -0.463 5 20 GBBD CN1C[C@@H](C(=O)O)N(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1=O 1606198212 SKPZISMFKFYJNF-STQMWFEESA-N 376.325 -0.158 5 20 GBBD O=C1CN(CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C(=O)N1 1844827869 PEKQSPJWHYPUSQ-UHFFFAOYSA-N 390.356 -0.708 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCO[C@H](CNC(C)=O)C2)c([N+](=O)[O-])c1 265469811 PAUJZAILZDZZNH-CYBMUJFWSA-N 394.384 -0.161 5 20 GBBD COc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 268274612 PTSIEOWUVHXHIZ-UHFFFAOYSA-N 380.404 -0.887 5 20 GBBD Nc1ncnc2c1ncn2CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 271501491 HMVRIKBSKBXJJL-SMDDNHRTSA-N 387.356 -0.473 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@H]2C1 273577564 NKBXCORLAOHHST-LBPRGKRZSA-N 397.413 -0.213 5 20 GBBD CN(CCNC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)Cn1cc([N+](=O)[O-])cn1 275684537 AFPGWYFMUNXSFM-UHFFFAOYSA-N 380.321 -0.829 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 275892100 SDJMJCYZGLVGFD-AWEZNQCLSA-N 397.409 -0.244 5 20 GBBD CN[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 420147227 RRKNKZKHEPQPBB-JTQLQIEISA-N 383.430 -0.335 5 20 GBBD Cc1c(C(=O)N2CCn3c(O)nnc3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 438444461 QEUAUSCAGZCHJU-UHFFFAOYSA-N 382.358 -0.496 5 20 GBBD CN1CCN(C(=O)Cn2cc(NC(=O)c3cc([N+](=O)[O-])nn3C)cn2)CC1 481884035 AMTSVDGGXWJMDI-UHFFFAOYSA-N 376.377 -0.449 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCNC1=O 590915627 PAMNNIIXIJKYOQ-NSHDSACASA-N 399.429 -0.302 5 20 GBBD CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])C1 593315327 CQPWSHNJAUWKJE-SECBINFHSA-N 393.399 -0.395 5 20 GBBD COC(=O)C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)OC 600843466 YNAMZXDVFGYVEP-JTQLQIEISA-N 395.324 -0.459 5 20 GBBD Cc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(N)c([N+](=O)[O-])c1 729525849 NSNLBRBPTXZQHM-UHFFFAOYSA-N 385.446 -0.208 5 20 GBBD CC(=O)NCC(=O)NCC(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731512761 GNYZPPQKNWFWEG-CYBMUJFWSA-N 378.341 -0.504 5 20 GBBD Cn1c(S)nnc1CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 773931002 GNDXXVBLAGQWRA-UHFFFAOYSA-N 386.415 -0.368 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 782937631 AVPDJRADXVJDTP-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 918759365 GHFVTSJDZLHULY-UHFFFAOYSA-N 386.748 -0.018 5 20 GBBD CN1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1=O 1579347700 KPASWLSWGHGSEH-VIFPVBQESA-N 395.401 -0.078 5 20 GBBD COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795346478 AQVWBZYZWHAVPC-DRXBFXEBSA-N 381.389 -0.583 5 20 GBBD C=CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389619 MWMWDPAPCXGJKI-SNVBAGLBSA-N 376.373 -0.174 5 20 GBBD O=C(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)NCC(=O)N1CCCC1 46778075 IGBGHHSOJNDTQR-UHFFFAOYSA-N 376.417 -0.150 5 20 GBBD O=C(CCN1C(=O)CCC1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57404886 CQSHMJXKCIFVKU-UHFFFAOYSA-N 398.397 -0.472 5 20 GBBD CNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 269488841 ZHLOLEBHYPMRLL-RISCZKNCSA-N 399.381 -0.080 5 20 GBBD COC[C@]1(C)NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 277877581 OPXMKJSSLNLTPT-AWEZNQCLSA-N 386.386 -0.170 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCn1cc(CO)nn1 290219545 ONNBZAARCLOPEA-UHFFFAOYSA-N 399.385 -0.166 5 20 GBBD COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 376784158 FXENXXGZRWNBFJ-QWRGUYRKSA-N 391.384 -0.427 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 430381140 ZOYJZPCHBHXOGI-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD Cn1[nH]c(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1=O 497767034 HHRVPFMFKTXEAS-UHFFFAOYSA-N 382.402 -0.477 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 508529720 CLQZTBZCYVWFSX-LBPRGKRZSA-N 382.421 -0.075 5 20 GBBD COc1ccc(CCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1S(N)(=O)=O 568078521 UXUHOOFRSFQREB-CYBMUJFWSA-N 399.429 -0.360 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 571051189 PGVFDIZUZFCGCT-SNVBAGLBSA-N 380.386 -0.061 5 20 GBBD C[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)N1CCOCC1 574576907 TXBFMAKMRWCZGD-VIFPVBQESA-N 387.370 -0.181 5 20 GBBD CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 594778580 LCGBBACWIDQERA-SNVBAGLBSA-N 393.447 -0.461 5 20 GBBD COC(=O)c1[nH]c(=N[C@@H]2CCC[C@H]2O)[nH]c(=N[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] 596263043 CTXAKLMRKQUGEU-GWOFURMSSA-N 381.389 -0.334 5 20 GBBD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599291881 UOZIBFYKKCQWIA-SFYZADRCSA-N 377.379 -0.937 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CCO1 600230175 PHYLNEOHNRHPEH-RISCZKNCSA-N 393.400 -0.131 5 20 GBBD COc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] 604573025 ZENSACHNTOTEAS-UHFFFAOYSA-N 386.430 -0.090 5 20 GBBD COc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 725949148 STKGQWMNMHJGNB-UHFFFAOYSA-N 392.324 -0.377 5 20 GBBD CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784075 NKBSNQUPYUEEBN-KRWDZBQOSA-N 378.385 -0.004 5 20 GBBD CC[C@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403190 CEEWAUANTIVJJI-HNRZYHPDSA-N 395.416 -0.072 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798012009 KYKMJXGBAHYETJ-KQXIARHKSA-N 379.373 -0.442 5 20 GBBD CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829480698 QTBOSLRMWUMTPO-INIZCTEOSA-N 381.341 -0.153 5 20 GBBD O=C1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nc[nH]c2[N+](=O)[O-])CN1 1847321616 PSYNVHJASMWVEG-VWYCJHECSA-N 376.373 -0.341 5 20 GBBD CCNC(=O)[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66889048 VBDMTNLJGBMCHF-JTQLQIEISA-N 387.418 -0.303 5 20 GBBD Nc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] 264197888 PTHCPIVKRRLSBM-TZMCWYRMSA-N 384.414 -0.595 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 265274099 HNBBFAOYNKOHST-UHFFFAOYSA-N 381.370 -0.190 5 20 GBBD O=C1[C@H]2COCCN2C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 272031031 BDDSHRNWUODEBM-GFCCVEGCSA-N 384.370 -0.464 5 20 GBBD CN(CCO)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 298210926 UCQWZTKEKJFABK-UHFFFAOYSA-N 388.446 -0.366 5 20 GBBD CS(=O)(=O)NCCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 299187930 CKKBIMVALQHCHZ-UHFFFAOYSA-N 379.416 -0.333 5 20 GBBD CN(Cc1nnnn1C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 466580845 GPBKITLLCFPRAD-UHFFFAOYSA-N 398.405 -0.762 5 20 GBBD NC(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 531591141 GDDLNTLPEOZCNG-QWHCGFSZSA-N 378.389 -0.146 5 20 GBBD CCn1cc(S(=O)(=O)NC2CCN(CC(=O)N(C)C)CC2)c([N+](=O)[O-])n1 533174651 YCMSKLPJTGIGFD-UHFFFAOYSA-N 388.450 -0.358 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 533542452 FLPNJWVWKCXNKG-LLVKDONJSA-N 380.386 -0.061 5 20 GBBD CN(C)C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 537972662 WJSHPJSULPFUSS-LBPRGKRZSA-N 384.414 -0.048 5 20 GBBD NS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 560226086 XWOCQJVJSOAVGE-UHFFFAOYSA-N 395.191 -0.300 5 20 GBBD Cn1cnc2c1c(=O)n(CCCSc1ncc([N+](=O)[O-])c(N)n1)c(=O)n2C 573505915 HEZFQOLOFUVJFU-UHFFFAOYSA-N 392.401 -0.104 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 599128649 UKUCYSYIJRDZJA-DRZSPHRISA-N 381.385 -0.077 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 599938085 LSBXRQCJSXSRCT-RYUDHWBXSA-N 388.380 -0.142 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCNC(=O)c1cnccn1 608807336 PQVKGRIMKKXXOB-UHFFFAOYSA-N 398.335 -0.473 5 20 GBBD O=C(NCC(=O)N1CCO[C@@H](c2nn[nH]n2)C1)NCc1ccc([N+](=O)[O-])cc1 732090995 XCCYPEYLJUTFKN-GFCCVEGCSA-N 390.360 -0.493 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCO1 1318563988 ZCVQIKJKDBFHAS-ZDUSSCGKSA-N 385.398 -0.025 5 20 GBBD COCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1348134754 AUBUSSHYMNHNQJ-UHFFFAOYSA-N 378.385 -0.016 5 20 GBBD CN(CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)CN1CCOCC1 1591105961 DNMUCDZUKCOELU-UHFFFAOYSA-N 390.404 -0.023 5 20 GBBD O=C(O)c1ccc(S(=O)(=O)N2CCN([C@H]3CCNC3)CC2)cc1[N+](=O)[O-] 1610837853 CUOJYKJSJNWTKT-NSHDSACASA-N 384.414 -0.039 5 20 GBBD CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795593249 IDOZISOOWDKHSO-GNXNZQSNSA-N 380.405 -0.479 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c2c1OCO2)C(O)O 1799340627 JDVOVUQWJSENMG-ILWJIGKKSA-N 393.352 -0.114 5 20 GBBD NCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835866569 JXRZUHDTUPMFRK-UHFFFAOYSA-N 379.421 -0.538 5 20 GBBD CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508068 JCSMBJPOWZVZOB-INIZCTEOSA-N 395.372 -0.633 5 20 GBBD Cn1nc(C(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)cc1O 1842190833 YEYNFPBPILIBSM-UHFFFAOYSA-N 389.372 -0.252 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843845180 FYFFYYNUDQLBSP-BETUJISGSA-N 390.396 -0.269 5 20 GBBD N=C(N)NCC(=O)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845472641 AFBZMFIMAIGQGX-UHFFFAOYSA-N 376.373 -0.400 5 20 GBBD CCC[C@@H](NC(N)=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 68029222 YOEXKLRADSSGRN-GFCCVEGCSA-N 387.418 -0.174 5 20 GBBD CC[C@H](C)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCCN1CCOCC1 264813333 YJPBNGUIVZMLCZ-XJKSGUPXSA-N 396.448 -0.229 5 20 GBBD O=C(Cn1cc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cn1)NCCO 272542176 RYOFYFNXZWRNGW-UHFFFAOYSA-N 377.313 -0.119 5 20 GBBD NC(=O)CC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O 275061874 JTYOIBQLIHRKIS-ZETCQYMHSA-N 389.342 -0.637 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 298094846 RNINODJZLLPPBB-LBPRGKRZSA-N 378.341 -0.785 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 411427944 PGPVBYRCZGSTOH-NSHDSACASA-N 389.368 -0.681 5 20 GBBD Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c(=O)n(C)c1=O 464057344 FUJIAESRUSIEKM-JTQLQIEISA-N 391.340 -0.172 5 20 GBBD Cc1c(C(=O)N[C@H](C)C(=O)NCCF)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 504517975 BCIYQGFUBXXPBJ-MRVPVSSYSA-N 376.366 -0.245 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCNS(=O)(=O)c1cccnc1 532588602 LPLGJJLCEXSKJD-UHFFFAOYSA-N 382.402 -0.020 5 20 GBBD C[C@H](NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N(C)C 532733739 DAWNAJQJSUVGIP-ZDUSSCGKSA-N 391.428 -0.055 5 20 GBBD CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 588676626 LPWCTCANEORNEP-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 594751781 BAUUZZNIRVYGKM-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c([N+](=O)[O-])n1 611106376 KVXBKDMHFKODAI-UHFFFAOYSA-N 383.390 -0.418 5 20 GBBD CS(=O)(=O)c1cc(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)cc([N+](=O)[O-])c1 780318223 UKSXOJXWVMXYFD-UHFFFAOYSA-N 395.353 -0.015 5 20 GBBD CCOC(=O)Cc1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 825808419 VYZFDLYIVRHHFO-LBPRGKRZSA-N 376.369 -0.153 5 20 GBBD C[C@H](NC(=O)COC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)N(C)C 918998754 PYPUYVYLFDSOBC-VIFPVBQESA-N 394.340 -0.361 5 20 GBBD C[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1260177044 NGJILVKLPDLEEU-NSHDSACASA-N 384.414 -0.142 5 20 GBBD COC(=O)[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 1328397865 NDTGIKIOYSPOSJ-CQSZACIVSA-N 377.353 -0.120 5 20 GBBD O=C(Cn1cncn1)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415507 DNUYOABRAPWWAK-MRXNPFEDSA-N 389.372 -0.342 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1cn[nH]c1 1787612847 BOORWPKPDMFPLO-DLOVCJGASA-N 389.372 -0.052 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ccon1 1794926145 YSUJWNXVYHFZRM-DOFRTFSJSA-N 376.329 -0.177 5 20 GBBD COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)cc([N+](=O)[O-])c1OC 1847447551 OSRJBBTUQAHTEA-QWRGUYRKSA-N 395.368 -0.262 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@]1(O)CCOC1 270148281 QWXKAFBJMRUPJY-AWEZNQCLSA-N 388.402 -0.676 5 20 GBBD O=C(NC[C@@H]1CNCCCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 420188003 MNAAIGNOSSCFMX-INIZCTEOSA-N 391.428 -0.262 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCCS1(=O)=O 461975308 XAYYLJDYVUYJIE-LLVKDONJSA-N 388.450 -0.021 5 20 GBBD COC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)nn1 483264612 GCOZOHQXWVULBO-UHFFFAOYSA-N 375.345 -0.133 5 20 GBBD O=C(NC[C@H]1CS(=O)(=O)CCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 509643248 MXASTAWSMYDKMV-LBPRGKRZSA-N 381.370 -0.281 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 580347180 OBMQROQCXBGWRC-GFCCVEGCSA-N 398.390 -0.430 5 20 GBBD O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(O)(CO)C1 597701813 BRNNBMOEWXTYAA-CYBMUJFWSA-N 385.398 -0.687 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 597735631 HRROJOQESNMELZ-CYBMUJFWSA-N 399.429 -0.501 5 20 GBBD CCn1cc(S(=O)(=O)NCCC(=O)NCCC(=O)OC)c([N+](=O)[O-])n1 599476389 RYRWNWAMAGNAIM-UHFFFAOYSA-N 377.379 -0.841 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 619492742 IHNWGPCAYNKPSJ-VIFPVBQESA-N 379.416 -0.084 5 20 GBBD COC(=O)CN(CC(=O)O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 737612364 IQGSTIGLNMTYMV-UHFFFAOYSA-N 394.384 -0.197 5 20 GBBD CCOCCNC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 753442036 NZFCTBWOKAHAFH-UHFFFAOYSA-N 379.325 -0.113 5 20 GBBD O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cn1 823140138 PGRIRPZRISZQNS-UONOGXRCSA-N 385.340 -0.006 5 20 GBBD C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 825000029 MULFVFASUXWJPR-MRVPVSSYSA-N 385.348 -0.361 5 20 GBBD CCN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 839211206 KTBGAFPTJKFBSE-UHFFFAOYSA-N 389.412 -0.066 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)C[C@@H]12 1324903051 YIAJLRWUMLPCSU-ZDUSSCGKSA-N 387.352 -0.758 5 20 GBBD CN(C)CCOC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1347103899 DNXINFPFDSBQOV-UHFFFAOYSA-N 382.421 -0.523 5 20 GBBD CNS(=O)(=O)N1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1604897863 SZIDQDUPVNSHKK-UHFFFAOYSA-N 382.406 -0.643 5 20 GBBD CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717373 JRYNHQRWZDOWEU-QGZVFWFLSA-N 394.384 -0.767 5 20 GBBD NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 52406004 PDDKVDRPVPRRPB-UHFFFAOYSA-N 375.385 -0.035 5 20 GBBD COCCOCCS(=O)(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 269805611 VHXWYWYYWKUQII-KGLIPLIRSA-N 378.403 -0.429 5 20 GBBD COCCCN(CCO)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 295451692 FEXLNOAQYBUKNU-UHFFFAOYSA-N 375.403 -0.270 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1cc(-n2cnnn2)ccc1F 372038183 SXQFEZCWVOYPCP-UHFFFAOYSA-N 389.307 -0.339 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 468659298 CYILOIMNUKUULJ-NSHDSACASA-N 385.354 -0.888 5 20 GBBD CN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 481296962 VMNIAJZEMHTHLL-ZDUSSCGKSA-N 399.429 -0.207 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 558160740 NBGZGMCOSOIYKC-UHFFFAOYSA-N 396.385 -0.004 5 20 GBBD Cc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)nnn1-c1cccc([N+](=O)[O-])c1 584789924 HRHMOILXGHETMK-VXGBXAGGSA-N 381.370 -0.628 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)n1 599413498 YATGYVSSYZPDOT-VIFPVBQESA-N 393.389 -0.677 5 20 GBBD COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599421448 NCDCCWKFJORYHG-IUCAKERBSA-N 390.374 -0.556 5 20 GBBD COC(=O)c1cc(C(=O)N2CCC(NS(N)(=O)=O)CC2)cc([N+](=O)[O-])c1 600551019 FLUSAJWQYWBKAN-UHFFFAOYSA-N 386.386 -0.221 5 20 GBBD COc1ccc(CC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 609016334 RBVKEVBRXGNVOA-LBPRGKRZSA-N 399.425 -0.092 5 20 GBBD C[S@@](=O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 735101719 GIZZZCLTEKGWRD-HSZRJFAPSA-N 378.432 -0.449 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 854382689 IWYUNBBJSDOBPR-DZGCQCFKSA-N 395.368 -0.465 5 20 GBBD Cn1c(-c2n[nH]cc2[N+](=O)[O-])nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1343443561 YSGKTJUDZQESFJ-LLVKDONJSA-N 376.377 -0.059 5 20 GBBD O=C(NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1c[nH]c(-c2nn[nH]n2)c1 1593038072 CHQNWCOQDOHVJN-DGCLKSJQSA-N 388.388 -0.172 5 20 GBBD O=C(COCCO)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419529 CZCLGIOSDACJIE-MRXNPFEDSA-N 382.373 -0.625 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1783173643 GGGHLDHANJJJEO-QLJPJBMISA-N 394.388 -0.714 5 20 GBBD Cn1ncc2c(N3CCN(C[C@@H](O)Cn4cc([N+](=O)[O-])cn4)CC3)ncnc21 174712161 WKKFLPHPMMZWHA-CYBMUJFWSA-N 387.404 -0.349 5 20 GBBD COCCCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265255499 BQFKJZGZUDRPHG-UHFFFAOYSA-N 381.432 -0.171 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])nc1C 281031969 HZFOSWCTUZGGRF-UHFFFAOYSA-N 382.421 -0.651 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H](C)CO 297691623 HPXDDVVMHVZIIM-KGLIPLIRSA-N 394.428 -0.166 5 20 GBBD O=C1[C@H]2[C@@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 349362439 IXMXFKMMEZCDLL-QWHCGFSZSA-N 398.397 -0.339 5 20 GBBD Cc1cc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 414456854 JVVSTPBFJHOALI-UHFFFAOYSA-N 377.444 -0.088 5 20 GBBD COCc1nc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 479752249 UUZJHZZQJVOUGM-UHFFFAOYSA-N 385.358 -0.168 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN(C(=O)CO)CC2)cc1[N+](=O)[O-] 493789447 FGMBAWKZTPXAHH-UHFFFAOYSA-N 377.350 -0.432 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1[N+](=O)[O-] 513566791 HEAXIJUWVDHNCT-UHFFFAOYSA-N 393.381 -0.052 5 20 GBBD C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 532813849 IRKVVDNULNINEE-JTQLQIEISA-N 393.443 -0.235 5 20 GBBD C[S@](=O)CCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 561958597 SGLCXIYHHLIYMR-DEOSSOPVSA-N 392.459 -0.071 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 571647588 XONFNUJDESLIIL-LBPRGKRZSA-N 398.445 -0.145 5 20 GBBD CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 575805430 LIYZWJRHMLJHKH-UHFFFAOYSA-N 387.370 -0.228 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H](CO)CCF 593319271 KUZGMJNJCGGNCC-SNVBAGLBSA-N 378.382 -0.107 5 20 GBBD O=C1C[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 596642855 UZNZVJVEZUHZMK-LLVKDONJSA-N 382.398 -0.294 5 20 GBBD CCOC(=O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 611859678 LQJXRWMZLVEWBP-GFCCVEGCSA-N 389.386 -0.697 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)C[C@H]1CCOC1 762133774 NXZZISVBHVMUHP-VIFPVBQESA-N 397.365 -0.327 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)CCC(=O)OCc1ccccc1 770809602 UYCLARSHOSPLRZ-UHFFFAOYSA-N 397.369 -0.234 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[C@H]2C1 1328866038 DXGXHMNRZZBNMW-RYUDHWBXSA-N 396.425 -0.142 5 20 GBBD C[C@](NC(=O)CN1CCS(=O)(=O)CC1)(C(=O)O)c1cccc([N+](=O)[O-])c1 1604275351 MNKCQPBHKINYHL-OAHLLOKOSA-N 385.398 -0.259 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1783178105 JHAZCQQKNLHHIO-PIGZYNQJSA-N 393.400 -0.109 5 20 GBBD CN(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795580860 QLRBCLZYLRIZDO-BTTYYORXSA-N 391.428 -0.044 5 20 GBBD CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838828278 LSTQFAHJWUOONA-QGZVFWFLSA-N 394.384 -0.028 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c([N+](=O)[O-])c1 15035987 HPWSSKZOPCRZJF-GFCCVEGCSA-N 396.425 -0.075 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2cnnc2C1 264780628 POTZIRVMNUMDCY-UHFFFAOYSA-N 395.401 -0.310 5 20 GBBD COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c([N+](=O)[O-])c1 275159337 SWGJGEAMMGRWFU-JTQLQIEISA-N 394.383 -0.524 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCCS(N)(=O)=O 288922357 MABGSKYADOWJBN-UHFFFAOYSA-N 383.404 -0.813 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H](C)CO 297708116 IUWDEAPFKWBKAS-OLZOCXBDSA-N 395.416 -0.771 5 20 GBBD CO[C@@H]1CN[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 373065174 DXXKORWYVRNDRL-QWHCGFSZSA-N 398.441 -0.195 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC(=O)N(C)C1=O 425218821 FWKNMPILLAWCOW-JTQLQIEISA-N 385.354 -0.193 5 20 GBBD C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H](C)S1(=O)=O 427895303 NCCXFJBFVCVJMQ-RKDXNWHRSA-N 391.427 -0.110 5 20 GBBD C[C@@H](CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)S(N)(=O)=O 437037766 NESIVDLJTKXOIE-JTQLQIEISA-N 384.414 -0.121 5 20 GBBD CN1C[C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C(=O)N1 476166814 RZNWILCPZAGXPL-SECBINFHSA-N 377.386 -0.051 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 499961351 WONPPZUPPBONLN-VIFPVBQESA-N 379.329 -0.540 5 20 GBBD O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 556963249 MVOSVNMSFYKSFQ-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)O)CC1 569572906 JVVQTIPVQBPBJZ-UHFFFAOYSA-N 393.399 -0.441 5 20 GBBD O=C(C1=NN2CCCN=C2N1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 591599221 RXWQEZVQRSCCTA-UHFFFAOYSA-N 391.413 -0.081 5 20 GBBD COC(=O)Cc1nc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n[nH]1 609855436 UGWIPPVYCYSIPD-UHFFFAOYSA-N 390.312 -0.208 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1N 619874859 KXJCSNRWYQITHC-GFCCVEGCSA-N 380.357 -0.303 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)CN2CCCS2(=O)=O)cccc1[N+](=O)[O-] 842405708 MOYXJTMANSAKAX-UHFFFAOYSA-N 391.427 -0.115 5 20 GBBD CNS(=O)(=O)CCCNC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC 863432016 QKIVROFTXFFZFS-UHFFFAOYSA-N 389.386 -0.150 5 20 GBBD C[C@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@H]1C 1323905137 KLCLPCSPRNYUQY-NEPJUHHUSA-N 380.405 -0.187 5 20 GBBD O=C1CC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nc[nH]c2[N+](=O)[O-])C3)N1 1795699079 GHKHADIRTAMNEM-VLEAKVRGSA-N 376.373 -0.152 5 20 GBBD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])[nH]1 1796403685 NWGMBVKIPHJYJM-PEGIJTEDSA-N 389.372 -0.134 5 20 GBBD CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824805 VZQAELIOFDYXTA-CXAGYDPISA-N 396.400 -0.236 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 31672173 RLEHSILQYSSRJF-KGLIPLIRSA-N 399.425 -0.049 5 20 GBBD O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 264233011 YEEIICZFQLQZJG-DZGCQCFKSA-N 398.441 -0.379 5 20 GBBD COCCN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1=O 271139609 ODSAZUVELQVSLC-UHFFFAOYSA-N 380.357 -0.141 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 275100617 LNMIBVQSDPXNDU-VIFPVBQESA-N 394.383 -0.524 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] 279455662 KSNFEWWWNCDUCI-QGZVFWFLSA-N 389.368 -0.166 5 20 GBBD NC(=O)[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 294517902 KUBRKBINLRWHSJ-ZIAGYGMSSA-N 376.369 -0.088 5 20 GBBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 471327029 KTTFALYUIWEYQT-UONOGXRCSA-N 387.389 -0.350 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[S@](=O)C1 475139284 OUOAZVAKQWZETP-JUZXBQNTSA-N 390.443 -0.307 5 20 GBBD NC(=O)N1CCN2C(=O)N(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 521479135 WKYIKGAWKUKHIW-YPMHNXCESA-N 393.356 -0.638 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C1CCOCC1 525825880 NQKYYPUZHAHPFX-AWEZNQCLSA-N 387.414 -0.223 5 20 GBBD Cc1cc(=O)c(C(=O)NC[C@@H](C)S(N)(=O)=O)nn1-c1ccccc1[N+](=O)[O-] 537728439 NLQXTFXGZSLTDG-SNVBAGLBSA-N 395.397 -0.144 5 20 GBBD COc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1[N+](=O)[O-] 543400346 CQZWZCFGDOUBLD-UHFFFAOYSA-N 396.385 -0.132 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1=O 582651779 DCHMHYSGDDNZCG-UHFFFAOYSA-N 375.385 -0.456 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 589086894 NUKTYFTUJLIBSG-NSHDSACASA-N 380.386 -0.234 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1(n2cnnn2)CC1 596949213 VTQZUIZJDYEWSY-UHFFFAOYSA-N 381.374 -0.835 5 20 GBBD NC(=O)c1ccc(SCC(=O)N[C@@H](CO)CN2CCOCC2)c([N+](=O)[O-])c1 619871057 IWPHPBSGEOAGNJ-GFCCVEGCSA-N 398.441 -0.405 5 20 GBBD CC(C)[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N[C@H]1CCS(=O)(=O)C1 766964917 UVYVRMYZDLAFFE-JOYOIKCWSA-N 388.402 -0.187 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 776582238 NBPDETUCHRWTEK-OAHLLOKOSA-N 390.396 -0.079 5 20 GBBD O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)NCC1CC1 826412846 FYWDDSPNRLJSMX-UHFFFAOYSA-N 381.374 -0.421 5 20 GBBD CCN(OC)C(=O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 844071911 YNTBBUXRPNKRMV-UHFFFAOYSA-N 388.402 -0.211 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 919506487 BCIPQMKRLYAISX-UHFFFAOYSA-N 378.341 -0.721 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1323468851 JIOSOBQZPXWTDQ-CQSZACIVSA-N 398.441 -0.206 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC(=O)N(Cc2ccccc2)C1 1323904361 FSLTUWXVHZLZNR-UHFFFAOYSA-N 386.368 -0.264 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(CC(F)(F)F)CC1 1329712344 UMCFQGLAVAIOMZ-UHFFFAOYSA-N 378.311 -0.386 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 1347105958 SSFNUPWTKQADIT-CYBMUJFWSA-N 395.416 -0.048 5 20 GBBD O=C(N1CCNCC1)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1592949224 UXVZUENFBMRMAP-UHFFFAOYSA-N 387.404 -0.078 5 20 GBBD Cn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n1 1779383567 RZSLADGJFGZIMX-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD CC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784251 QHTWSGNWAVVDMU-QGZVFWFLSA-N 392.368 -0.825 5 20 GBBD CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C[C@@H]32)COC1 1783667575 DQYDQZHLQVVZNH-SRVKXCTJSA-N 393.400 -0.052 5 20 GBBD C/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839812834 XEINGCGOARXDGD-RCAFFNEUSA-N 393.400 -0.176 5 20 GBBD O=C(c1nc[nH]n1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824492 XRQFWGKIGVLTMV-UHFFFAOYSA-N 387.356 -0.608 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 66047941 GKOIWOFCIHECAD-UHFFFAOYSA-N 392.372 -0.999 5 20 GBBD CC(=O)NCCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299232725 RQZRAHHHXDOVMG-UHFFFAOYSA-N 387.418 -0.313 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 411987748 RFLSFAJEOZZHBZ-UHFFFAOYSA-N 389.365 -0.719 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@@H]2C1 431591844 ILSOZFHTOFGTNQ-GFCCVEGCSA-N 397.413 -0.501 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1cn(CC(=O)OC)nn1 442196119 RIRWFGUNMNVNCZ-LLVKDONJSA-N 394.392 -0.092 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 468642005 OCSAZJOPIKCKOK-SNVBAGLBSA-N 398.759 -0.522 5 20 GBBD Cc1[nH]c(=NC[C@@H]2CCCNC2=O)[nH]c(=NC[C@H]2CCCNC2=O)c1[N+](=O)[O-] 591183099 KJNRMNYMFJIUFO-NEPJUHHUSA-N 391.432 -0.587 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(C)c1[N+](=O)[O-] 598610093 WTMCQFZZBKZTLK-LLVKDONJSA-N 382.398 -0.457 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O 598668011 KGLVPIDBQNNCAO-OLZOCXBDSA-N 376.373 -0.513 5 20 GBBD Cc1cc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] 599488959 KPSRTUYVGNCBIG-UHFFFAOYSA-N 378.432 -0.151 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)[C@@H]1CCOC1 733719783 JMFWESZUCMEATD-GFCCVEGCSA-N 386.386 -0.371 5 20 GBBD O=C(NCCCN1C(=O)CCC1=O)C(=O)NCCc1ccccc1[N+](=O)[O-] 1324091590 HIPNJFFOIDVVDH-UHFFFAOYSA-N 376.369 -0.091 5 20 GBBD CC(=O)NCC(=O)N1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 1588855799 LRAQKLHXOUAXSY-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCCn3nncc3C2)c1 1593473644 CTSOPMDNVOMCFV-UHFFFAOYSA-N 391.373 -0.039 5 20 GBBD C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1789877341 AZYOSYKEECRNRU-BJDJZHNGSA-N 394.388 -0.954 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 269941077 ZVJHNEVUXIRYBJ-GJZGRUSLSA-N 385.442 -0.121 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCOCCS(N)(=O)=O)ccc1[N+](=O)[O-] 288373362 YSXWGFGFSFIZMI-UHFFFAOYSA-N 388.402 -0.946 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 291211936 HLILJVWVVYVJID-LBPRGKRZSA-N 389.368 -0.735 5 20 GBBD CN(CCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)S(C)(=O)=O 298454128 TVNXXTQMCLNXLO-UHFFFAOYSA-N 398.397 -0.412 5 20 GBBD NC[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 364304577 MAXAWUTYMPAFED-HIFRSBDPSA-N 398.441 -0.066 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 485686028 VPVDFDTVMQSGFX-SNVBAGLBSA-N 386.338 -0.264 5 20 GBBD C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(=O)NCCN(C)C 552310756 IQINZYZLKFLDGQ-LLVKDONJSA-N 375.389 -0.028 5 20 GBBD NC(=O)C[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 588803413 OOIQANKAQGWPLX-LLVKDONJSA-N 384.414 -0.013 5 20 GBBD O=C(NCC(=O)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21)c1cccc([N+](=O)[O-])c1 590541082 BWCWLDXUOAOKIN-LQZBUGDKSA-N 387.392 -0.088 5 20 GBBD CCn1cc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 595758696 UFEZUZXTJGLEGM-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 597641894 OCNMORFYLRKSNN-ZDUSSCGKSA-N 381.341 -0.179 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCC(=O)N1CCNC(=O)C1 730627751 IBJAYAQOHLMHLB-UHFFFAOYSA-N 395.324 -0.704 5 20 GBBD CC(C)[C@@H](OC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 766964903 UVYVRMYZDLAFFE-BXKDBHETSA-N 388.402 -0.187 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OC[C@H]2CNC(=O)O2)cc1[N+](=O)[O-] 808430338 FFSBJPZIIKGTIK-MRVPVSSYSA-N 388.358 -0.434 5 20 GBBD C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1)[C@@H]1CN(C)CCO1 1589974848 SHMUNJZSPRPCQA-SKDRFNHKSA-N 397.417 -0.228 5 20 GBBD COC[C@@H](O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 270868704 LJMSLOZNKORILE-NSHDSACASA-N 390.418 -0.430 5 20 GBBD CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)cn1C 287838295 NZHLBMMSNCAIAN-UHFFFAOYSA-N 399.385 -0.146 5 20 GBBD C[C@@H]1CS(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 292647949 AFRWVESKFRPOKD-SNVBAGLBSA-N 391.427 -0.481 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](CO)O1 410978570 LNVJSWUENSSQDA-CHWSQXEVSA-N 393.400 -0.753 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 417323714 OWRKKYQPYPMHPG-UHFFFAOYSA-N 399.429 -0.743 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCNS(C)(=O)=O 468615455 NQVBQYSZNPWJQT-SNVBAGLBSA-N 376.439 -0.117 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCNC(=O)C1CC1 520122347 PICZWMPLFSXQQC-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 609771573 OYWSGEIAWMTLGO-LBPRGKRZSA-N 393.400 -0.300 5 20 GBBD C[C@H](CNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)S(N)(=O)=O 781968546 FPKGMTGLHIGGMG-SSDOTTSWSA-N 378.794 -0.342 5 20 GBBD CN1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O 826033607 IHABOEPSMDJYGB-MRVPVSSYSA-N 381.374 -0.326 5 20 GBBD COC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC 826152457 ZVAMZLPJSJDADH-ZETCQYMHSA-N 386.346 -0.759 5 20 GBBD O=CN1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 1593414863 YWZJYYBAXPWAOD-UHFFFAOYSA-N 381.374 -0.372 5 20 GBBD Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401164 CBVABLOXMSXERU-DOFRTFSJSA-N 390.360 -0.739 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1837797593 WWGYNWCYIQFRMN-LYOVBCGYSA-N 397.363 -0.254 5 20 GBBD COCCOCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999414 QHFAMNIVUOPZQX-UHFFFAOYSA-N 381.389 -0.342 5 20 GBBD CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1845238451 ZXAADWYYFPWLHN-JTQLQIEISA-N 376.373 -0.244 5 20 GBBD Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 3466953 QQKFYMSBZUYDDQ-UHFFFAOYSA-N 376.325 -0.077 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1)N1CCOCC1 269161181 XVYXNXPNKXCPKT-UHFFFAOYSA-N 392.368 -0.556 5 20 GBBD O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 272629268 YKVONYCNWBJQGY-UONOGXRCSA-N 392.372 -0.559 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@@H]1N 423161777 SHKKVTBMGHAPHE-MNOVXSKESA-N 395.441 -0.254 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 485155379 ABWWSTZOLRKRQG-UHFFFAOYSA-N 398.397 -0.131 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCC(=O)Nc2ccn(C)n2)cc1[N+](=O)[O-] 572557281 OVUDFZMFTVZVHB-UHFFFAOYSA-N 387.349 0.393 5 20 GBBD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 576588147 LHOUPKGCQBNEHO-VIFPVBQESA-N 393.399 -0.395 5 20 GBBD Cn1cnnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1 593942572 UGCNQQNBOIEVBL-UHFFFAOYSA-N 396.385 -0.068 5 20 GBBD NC(=O)C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 600679467 KSPKWRCKQZEREN-GHMZBOCLSA-N 380.357 -0.105 5 20 GBBD C[C@H]1NC(=O)N(CCOC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O 837484114 FOKQLRQNMOTFJW-SNVBAGLBSA-N 393.356 -0.123 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 839331472 LDFNKOVBWPRLJP-ZDUSSCGKSA-N 389.412 -0.068 5 20 GBBD CC(C)[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCC[C@H](C(N)=O)C1 919520351 PKBZFBDZSVPBAH-JQWIXIFHSA-N 382.377 -0.522 5 20 GBBD Cc1nn(C)c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1[N+](=O)[O-] 1318246757 XNXLMGAAGVVXER-UHFFFAOYSA-N 392.372 -0.930 5 20 GBBD O=C(NCCCN1C(=O)CCC1=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1345333881 KCTHAUYCMUNEJN-UHFFFAOYSA-N 376.369 -0.091 5 20 GBBD Cn1c(Cc2ccc([N+](=O)[O-])cn2)nnc1N1CCN(S(C)(=O)=O)CC1 1525476716 RTBOBPAUWUBJCL-UHFFFAOYSA-N 381.418 -0.209 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1ncc[nH]1 1785781031 PHZAXZFULQNKHG-DCAQKATOSA-N 389.372 -0.052 5 20 GBBD NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1835551109 BGVPMYYFAMSVJI-QGZVFWFLSA-N 396.375 -0.237 5 20 GBBD Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C 268645954 SOWYGHUQEXVKPO-LLVKDONJSA-N 382.398 -0.457 5 20 GBBD Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 378538950 HXYYJNJWQIBHKB-GFCCVEGCSA-N 377.401 -0.160 5 20 GBBD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NCCn3cc([N+](=O)[O-])cn3)cnc21 427784125 XHOMKGNGENAARZ-UHFFFAOYSA-N 395.357 -0.883 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 468711744 QTEATNIQNNTEQO-VIFPVBQESA-N 385.402 -0.306 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 485189623 STEQARROWQQFDR-JTQLQIEISA-N 399.381 -0.301 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCCCNC1=O 504209501 FDWYLNHYVNLLTO-LLVKDONJSA-N 399.429 -0.159 5 20 GBBD CC(C)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 523944043 WSPGGMGACLPFGU-UHFFFAOYSA-N 393.443 -0.188 5 20 GBBD COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 598007050 YIIQXOMSLXRDLB-IINYFYTJSA-N 381.341 -0.220 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NCCc2nnnn2C)c([N+](=O)[O-])c1 611306548 JSDYKMBSVSGWBZ-UHFFFAOYSA-N 398.449 -0.387 5 20 GBBD NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])C1 815267006 UTOPZRYJFRGLAJ-SNVBAGLBSA-N 386.386 -0.008 5 20 GBBD COc1ccc(S(=O)(=O)NC(=O)CCn2ncn(C)c2=O)c([N+](=O)[O-])c1 815897147 IWLDRWLKUCFPJY-UHFFFAOYSA-N 385.358 -0.606 5 20 GBBD C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824420469 KWSQGUYUIFPWAA-SNVBAGLBSA-N 397.417 -0.226 5 20 GBBD CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(C(=O)O)cc([N+](=O)[O-])c2=O)C1 1591365926 GUCOGELEYSTTOX-ZDUSSCGKSA-N 396.400 -0.072 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ccc([N+](=O)[O-])c(N)c3-c3nn[nH]n3)C[C@@H]12 1591472005 IFWDIBKIQSGXGT-XROYCOCOSA-N 395.401 -0.395 5 20 GBBD CN1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 265771245 HDWSUHCKGHPYMX-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)O)cc1[N+](=O)[O-] 277264171 NSRZTPZDBZQROK-LHLIQPBNSA-N 377.331 -0.115 5 20 GBBD COc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1[N+](=O)[O-] 278867774 YJDKSRVSTHQTNS-AWEZNQCLSA-N 384.370 -0.034 5 20 GBBD COC(=O)[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)O 443676181 PIDMCPNKTQXBKE-TVQRCGJNSA-N 389.386 -0.698 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)CC1 468752680 AAWBCWLGEKDQAI-UHFFFAOYSA-N 378.384 -0.200 5 20 GBBD CN1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 485787350 OOIWLOVVYBTKFJ-HNNXBMFYSA-N 398.441 -0.242 5 20 GBBD COc1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1[N+](=O)[O-] 507943247 ZTHZMSSFOZHDDB-CABCVRRESA-N 385.442 -0.121 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)O)c([N+](=O)[O-])n1 547899074 OBLPLEPPTANHNQ-JTQLQIEISA-N 386.390 -0.234 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 590986135 XSDLXLPKGMNALM-CYBMUJFWSA-N 389.412 -0.020 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CNc1ccccc1[N+](=O)[O-] 619875195 PVDJOFVOGNEHFU-AWEZNQCLSA-N 394.384 -0.087 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 780524036 ASZNCRYGVUTSQZ-SECBINFHSA-N 378.432 -0.240 5 20 GBBD C[C@H](O)CN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1328360642 WRMDFIFNBODWNZ-LBPRGKRZSA-N 378.385 -0.282 5 20 GBBD COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835232514 RQCXLGOYOQSCDO-MRXNPFEDSA-N 397.388 -0.576 5 20 GBBD NC(=O)CN1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 264274539 SUZXPPWAENGHJA-UHFFFAOYSA-N 391.384 -0.088 5 20 GBBD CN1CCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 265145468 XCHVBCUIBZGWKS-UHFFFAOYSA-N 398.441 -0.108 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 265441622 QCPHMLUIGSBEEN-UHFFFAOYSA-N 378.432 -0.810 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 276511546 RHIIDQYNJCCCMN-GJZGRUSLSA-N 383.426 -0.181 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 299715407 SKAMVYFFRMNLEZ-UHFFFAOYSA-N 390.356 -0.025 5 20 GBBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 471327020 KTTFALYUIWEYQT-KBPBESRZSA-N 387.389 -0.350 5 20 GBBD Cc1c(CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cccc1[N+](=O)[O-] 572514317 JZVUSPGRGQTWJQ-HNNXBMFYSA-N 394.428 -0.329 5 20 GBBD O=C(NCC(=O)N1CCNCC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 579213727 USMCBBWAXAZMBD-UHFFFAOYSA-N 375.385 -0.973 5 20 GBBD CO[C@](C)(C(=O)O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 595989394 ONZBCQOTFGTPHT-ZDUSSCGKSA-N 375.359 -0.521 5 20 GBBD CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 599212774 FKJZDSHUWIHYOQ-UHFFFAOYSA-N 395.463 -0.189 5 20 GBBD O=C(NC[C@H]1COCCN1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 599963123 ZBNSGZUCCPBUBY-ZDUSSCGKSA-N 377.401 -0.652 5 20 GBBD COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])cn1 600023115 IBNZCCXOLNMPPL-MWLCHTKSSA-N 385.402 -0.239 5 20 GBBD O=C1CCN(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1 610117896 MARJNWCBCKVBQK-UHFFFAOYSA-N 389.368 -0.179 5 20 GBBD CC(C)NC(=O)CNC(=S)NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 727279684 XSCRZVWBQVKLMC-UHFFFAOYSA-N 389.459 -0.082 5 20 GBBD C[C@@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)Nc1ccccc1[N+](=O)[O-] 733565787 VQFUMVZYNKOTBS-MRVPVSSYSA-N 378.297 -0.114 5 20 GBBD O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 750107658 SGAAFLWBDIZSEN-BZUAXINKSA-N 385.442 -0.284 5 20 GBBD CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 841484764 KOMATWVQUGEVKD-UHFFFAOYSA-N 395.415 -0.401 5 20 GBBD Cc1nn(C)c(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1[N+](=O)[O-] 1341870541 RCXMSPDZWOIPKL-UHFFFAOYSA-N 377.361 -0.056 5 20 GBBD C[C@@H](NC=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800090517 PDEHOTQAVCUELH-FVCCEPFGSA-N 378.389 -0.436 5 20 GBBD O=C(Cn1ccccc1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57404833 LPFHUCOXEPAFPK-UHFFFAOYSA-N 380.382 -0.149 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 269215887 SWXLJLYFHMNGQZ-ZDUSSCGKSA-N 380.405 -0.912 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 374477978 HUOKSAFQPZZCDH-UHFFFAOYSA-N 391.319 -0.245 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 505972357 WCSTVHYPBJPKND-ZDUSSCGKSA-N 396.448 -0.064 5 20 GBBD COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 562465660 OTHYWZHKAKNKNL-NSHDSACASA-N 391.377 -0.114 5 20 GBBD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)C1 565060434 BFSKTRREKXPGKP-QMMMGPOBSA-N 393.399 -0.395 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 569237619 MROVWVANIUNSOP-TUAOUCFPSA-N 379.421 -0.402 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H](CO)CN1CCCC1 590372341 NWOLKKLQUCXSRG-LBPRGKRZSA-N 378.385 -0.107 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 596078352 WVJDHSMQFDAXLT-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD O=C(CN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1)NC1CC1 598590679 VKEOUTQHWCCAOE-UHFFFAOYSA-N 391.432 -0.378 5 20 GBBD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 728761142 ZLQAFUITACCIEI-GFCCVEGCSA-N 398.397 -0.473 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)CCNC(=O)OC(C)(C)C)n1 803036070 TTYNATONRCRBHW-UHFFFAOYSA-N 377.379 -0.087 5 20 GBBD CS(=O)(=O)CCS(=O)(=O)Oc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 821926451 FVHKYRFKIIIIGT-UHFFFAOYSA-N 377.360 -0.472 5 20 GBBD CCONC(=O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 845547445 VPXBFRRDPAFZPZ-UHFFFAOYSA-N 389.390 -0.760 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1117538660 HTJLZVKMHGJABE-GFCCVEGCSA-N 384.414 -0.596 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H](OCCN2CCOCC2)C1 1320706751 GZMZNHVIXWWCDL-AWEZNQCLSA-N 380.401 -0.294 5 20 GBBD COc1ccc(CNC(=O)C(=O)N(C)CCNC(=O)N(C)C)cc1[N+](=O)[O-] 1340870034 ARNOJSVBISANIS-UHFFFAOYSA-N 381.389 -0.051 5 20 GBBD O=C(c1ccncn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381031 ISAXWXGFLXOOMR-INIZCTEOSA-N 387.356 -0.135 5 20 GBBD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)Cc2cc([N+](=O)[O-])ccc2F)C1 1841876805 HIPXZVAZRUKJBA-AWEZNQCLSA-N 379.392 -0.234 5 20 GBBD CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8633152 CFYPJWJGLXRKEC-MRVPVSSYSA-N 392.324 -0.032 5 20 GBBD O=C(NCCS(=O)(=O)N1CCSCC1)c1cc([N+](=O)[O-])cnc1O 264371750 HSEXQHXUUREBFG-UHFFFAOYSA-N 376.416 -0.196 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@@H](O)CN1CCOCC1 267750247 WVBIPANCJALMNC-CZUORRHYSA-N 394.428 -0.135 5 20 GBBD CN(C)CC(=O)N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 269472889 JGWVAXXKWAUEKH-UHFFFAOYSA-N 393.400 -0.032 5 20 GBBD C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 282187971 NPRSAVOXHFVBIE-LKFCYVNXSA-N 399.429 -0.315 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)NC)CC2)c([N+](=O)[O-])c1 288327892 DQRBIFSINCJDIH-UHFFFAOYSA-N 393.447 -0.911 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CCN2C1=O 364871477 SMYGKPWSALPIBM-LBPRGKRZSA-N 383.386 -0.285 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442045942 QZDLUFDSSIKYMX-LLVKDONJSA-N 375.341 -0.087 5 20 GBBD Cn1nccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 448509749 ICUMEVBNOWICIY-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD COc1cc(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)c([N+](=O)[O-])cc1OC 468298091 UQNGRNPJJNYATD-NSHDSACASA-N 382.373 -0.349 5 20 GBBD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1c([N+](=O)[O-])cnn1C 501727126 WQOQHLCRWKJJCX-UHFFFAOYSA-N 397.413 -0.129 5 20 GBBD CN(CCn1cccn1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 567448737 HXRPICJIJHQJBN-UHFFFAOYSA-N 387.400 -0.007 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 593792480 QNIMJKOEEZLWMB-QWRGUYRKSA-N 388.450 -0.023 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCOCCS(N)(=O)=O 596623681 YIRPHPZDWRCKIC-UHFFFAOYSA-N 376.391 -0.292 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] 597625082 APMSXLLOCYKPEC-LLVKDONJSA-N 383.361 -0.669 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H](C)O1 600373035 JFNRBQOVGAJUES-KCJUWKMLSA-N 387.370 -0.355 5 20 GBBD CCN1C(=O)[C@@H]2CN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CCN2C1=O 610588954 LKBDUYRGETUULU-NSHDSACASA-N 383.386 -0.285 5 20 GBBD CCOC(=O)[C@H](CO)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 612631426 DPRPPERZOGLLMJ-QMMMGPOBSA-N 376.343 -0.432 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 732622419 HMMGZJHWUIYIDZ-UHFFFAOYSA-N 383.429 -0.113 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 748102992 XDNIBVCRMGUHMV-JTQLQIEISA-N 399.385 -0.500 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](S(N)(=O)=O)C1 755908673 HRKXWKRAXLSVAV-JTQLQIEISA-N 394.431 -0.356 5 20 GBBD N=C1NCCN1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1796023957 PBSIJFXSRSLDJO-JGPRNRPPSA-N 390.404 -0.590 5 20 GBBD CN1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412208 ASSMAWADRCDMMQ-JTQLQIEISA-N 376.373 -0.244 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCNC1=O 16520341 ODJJRMNXKLSYAT-UHFFFAOYSA-N 397.413 -0.547 5 20 GBBD CNC(=O)CCN(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 264820287 XQFTWVLDVXTTDH-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD CCN1CCN(CCc2noc(-c3c([N+](=O)[O-])c(C)nn3C)n2)C(=O)C1=O 274102955 XCVXSYGWXQRFEF-UHFFFAOYSA-N 377.361 -0.080 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 294328062 RLHZTPAYGJCNAR-UHFFFAOYSA-N 386.386 -0.412 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](C)N1 423601830 ZWIXFHYEPIZTLO-BETUJISGSA-N 376.417 -0.153 5 20 GBBD CN1CC[C@](O)(CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 460218958 VUNIEGHUPQHIIO-HNNXBMFYSA-N 386.430 -0.266 5 20 GBBD CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 460473093 AVOJRGGVDOKWRH-CQSZACIVSA-N 390.370 -0.042 5 20 GBBD COCCN1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1=O 548938668 ATMXBCKLMJPZPZ-UHFFFAOYSA-N 378.341 -0.405 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596062603 XOACBKSMOQUPKB-UHFFFAOYSA-N 399.429 -0.585 5 20 GBBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CCO[C@@H](c2nn[nH]n2)C1 732090472 KDJDLLOCNVHMLU-MWLCHTKSSA-N 391.344 -0.094 5 20 GBBD Cn1c(=O)ccn(CC(=O)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1=O 781836150 DGKCECLYRBPQTE-UHFFFAOYSA-N 386.317 -0.901 5 20 GBBD CCS(=O)(=O)CCNC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 804546020 IHBHEKUZPGRPQH-UHFFFAOYSA-N 383.386 -0.362 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 1261487611 XWYOHQCGKSKTHY-ZFWWWQNUSA-N 393.396 -0.022 5 20 GBBD C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@H](CO)O1 1590311253 BFKXDMYJFOMYNB-RKDXNWHRSA-N 384.374 -0.455 5 20 GBBD NC[C@H](N)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1777999262 KEIFCBUPZIFXES-XTQGRXLLSA-N 395.416 -0.399 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 265319767 HVCZLFZXVCZDDU-CMPLNLGQSA-N 384.414 -0.137 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 272975898 KDZIYRQANHVYDN-ZDUSSCGKSA-N 383.386 -0.565 5 20 GBBD C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCF 282150215 WWBOVVGFFFQFPO-JTQLQIEISA-N 390.393 -0.194 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 484550380 FLNPHFHRBDPVID-SSDOTTSWSA-N 384.413 -0.383 5 20 GBBD O=C(C(=O)N1CC[C@@H]2CNC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 515634398 HNHJUMXTWZLJHY-ZIAGYGMSSA-N 388.428 -0.294 5 20 GBBD Cc1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 518140532 WZNJBKJXWFNCGM-UHFFFAOYSA-N 384.462 -0.088 5 20 GBBD Cc1cc(C(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] 573400441 CFDOUWBBAKZMIX-LBPRGKRZSA-N 379.417 -0.184 5 20 GBBD COCCN(C)CCN1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1=O 579397303 KCPKKJGCVWKMTG-ZDUSSCGKSA-N 382.421 -0.605 5 20 GBBD NC(=O)c1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 580673382 WXYFZOCOOTXGEJ-DZGCQCFKSA-N 398.441 -0.719 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 603728782 NWJOMOQVNDYXIF-GFCCVEGCSA-N 396.425 -0.046 5 20 GBBD O=[N+]([O-])c1ccc2ncnc(N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)c2c1 611712900 SFXGNNFTHBSGMX-LSDHHAIUSA-N 393.425 -0.182 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CCN(CC(N)=O)CC1 735841982 CIUHCMRSAKNHGQ-GFCCVEGCSA-N 381.437 -0.107 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 831727945 BSFBMIZXCHZEJY-QGZVFWFLSA-N 394.428 -0.123 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)Cn2nc(C)n(C)c2=O)ccc1[N+](=O)[O-] 847662319 ZTKVASCUUMGJOJ-UHFFFAOYSA-N 385.358 -0.688 5 20 GBBD NC(=O)[C@@H]1CC[C@H](C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)O1 860408823 MSJJVTCZVGMIED-VHSXEESVSA-N 381.297 -0.162 5 20 GBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CCN2[C@@H](CNS2(=O)=O)C1 1593466394 APYRAQAWPBKFIJ-NSHDSACASA-N 380.390 -0.891 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCN=c2cc[nH]cc2-c2nn[nH]n2)cc1 1593479491 GHDYKCATBFMSSY-UHFFFAOYSA-N 390.385 -0.018 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401169 CFGVHVBNHHKVGF-JGPRNRPPSA-N 376.329 -0.177 5 20 GBBD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847447863 YUADQYMJOQLYCP-RYUDHWBXSA-N 375.341 -0.403 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 270973499 CCEGHXWLLLNPHR-OAHLLOKOSA-N 380.401 -0.524 5 20 GBBD CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCS(N)(=O)=O)CC1 276163701 GJHRSXZIJHUZBZ-UHFFFAOYSA-N 392.459 -0.591 5 20 GBBD CNS(=O)(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 276297130 CACGSDNTYMEETC-UHFFFAOYSA-N 381.388 -0.791 5 20 GBBD COC(=O)c1cn(CCNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1 285686071 FJOXJBFIWQDVCV-UHFFFAOYSA-N 390.356 -0.172 5 20 GBBD CNS(=O)(=O)c1ccc(NCCNS(=O)(=O)N(C)C)c([N+](=O)[O-])c1 289135415 NSAYJDAMXXIVDK-UHFFFAOYSA-N 381.436 -0.689 5 20 GBBD CN1CCN(CCCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 564669995 GFTZMQHEMLHGTI-UHFFFAOYSA-N 385.446 -0.391 5 20 GBBD C[C@H](CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)NC(N)=O 594211528 FCYTVAAOSLTVJA-LLVKDONJSA-N 399.429 -0.125 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598900159 OGFUEAFTMQPBPQ-NSHDSACASA-N 379.373 -0.232 5 20 GBBD CC1(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])COC1 611641469 DULVBKZXRHPQRE-YPMHNXCESA-N 399.425 -0.129 5 20 GBBD O=C1CN(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1 776451929 ZXIFSGFKTONWAJ-UHFFFAOYSA-N 392.368 -0.453 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 781840450 NOJDNLCGVQMMKX-SECBINFHSA-N 395.390 -0.037 5 20 GBBD NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826391175 ZFWLLWKNMSDRQN-QMMMGPOBSA-N 399.414 -0.634 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCCO)CC2)c1-c1nn[nH]n1 826500201 OEAXBRSETWASKG-UHFFFAOYSA-N 397.417 -0.536 5 20 GBBD O=C(C(=O)N1CCC2(C1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 839241091 VOEBPZPWYXJMKB-UHFFFAOYSA-N 391.384 -0.386 5 20 GBBD CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1261165187 MAIWXNPWXSQDRH-AWEZNQCLSA-N 382.421 -0.523 5 20 GBBD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389533 QTLYXZOBKUQMQU-QLJPJBMISA-N 394.388 -0.714 5 20 GBBD COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1795355123 JKJWCKMEGISSCS-DRXBFXEBSA-N 396.400 -0.211 5 20 GBBD CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795549352 OYTOBPCQPOIKID-YYHQMBLXSA-N 394.432 -0.106 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)c2cc(O)ncn2)C1 1841692216 PWWKLFMJXXZTCO-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD NC(=O)c1ccc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 27365810 BHUPRFGCDSQWOS-CQSZACIVSA-N 382.442 -0.002 5 20 GBBD COc1ccc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 264192667 SBNGMTITAKYCSD-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD COC[C@@H](C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 265447227 WCKVTOZUBRDLDW-SNVBAGLBSA-N 381.432 -0.173 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269054180 RMAGSEHRRUBFOL-UHFFFAOYSA-N 381.393 -0.830 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1csc([N+](=O)[O-])c1)C2 276378352 LCYAOSHORIVMHX-UHFFFAOYSA-N 380.386 -0.241 5 20 GBBD C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 282107993 FPSHGSKCJRACLN-MFKMUULPSA-N 399.429 -0.303 5 20 GBBD CS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 283984560 JHHJCCSHVUBPIH-UHFFFAOYSA-N 384.414 -0.596 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](OC)C(=O)OC 291851895 DJWLNOUTYVISJM-SNVBAGLBSA-N 376.343 -0.152 5 20 GBBD COCCNCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 420182996 KSMODRBAVWMILV-UHFFFAOYSA-N 379.417 -0.404 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CCNCC1 423155640 JQCXSFHBXXMEML-UHFFFAOYSA-N 381.414 -0.628 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 461641974 SFMDFGYAFVIGKR-UHFFFAOYSA-N 386.386 -0.672 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCS(=O)CC1 517456864 RUYUJJQAALRHJZ-UHFFFAOYSA-N 375.428 -0.146 5 20 GBBD COC(=O)c1cn(CCNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nn1 585751046 WWNGUQIQCJBEHT-JTQLQIEISA-N 390.356 -0.092 5 20 GBBD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)OCCn1cc([N+](=O)[O-])cn1 786490997 RRVMDNMDUCOJGP-HBJVGIJOSA-N 378.341 -0.113 5 20 GBBD COC(=O)CNC(=O)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814982449 AWGGBRBGPVJMAJ-UHFFFAOYSA-N 383.741 -0.045 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 821624050 YHLDRUPKAMUBCU-ZDUSSCGKSA-N 387.404 -0.087 5 20 GBBD COC[C@H](CS(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)OC 853204178 MYOXEDNOOBVZID-GFCCVEGCSA-N 399.385 -0.104 5 20 GBBD O=C(NN1CCOC1=O)c1cc(C(=O)NN2CCOC2=O)cc([N+](=O)[O-])c1 862702679 MTHWPVJUNFCVDH-UHFFFAOYSA-N 379.285 -0.211 5 20 GBBD CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 1351071194 VFWSWTJHBBVLQG-UHFFFAOYSA-N 398.441 -0.253 5 20 GBBD CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1783186348 LKWAQSXXYFLZMJ-INIZCTEOSA-N 394.388 -0.712 5 20 GBBD Cn1cnc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 69116188 GJZDZUVECCPBQC-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD COc1ccc(S(=O)(=O)N(C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 269768398 FCYQEOAENKVEOJ-LBPRGKRZSA-N 389.430 -0.083 5 20 GBBD CNC(=O)CN1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 275286234 SQDJKKIZWOEGNX-UHFFFAOYSA-N 390.393 -0.205 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NCCNC(=O)C2CC2)c([N+](=O)[O-])c1 299716306 KUFRLSCOJVNDKK-UHFFFAOYSA-N 399.429 -0.313 5 20 GBBD O=C(NC[C@H]1CNCCO1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 423993798 RFWKMZLMYYQRMR-HIFRSBDPSA-N 398.441 -0.148 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 430381141 ZOYJZPCHBHXOGI-NSHDSACASA-N 399.429 -0.255 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C(=O)NC[C@H]1CCS(=O)(=O)C1 436775767 YBFXPJKNCLHGIG-NXEZZACHSA-N 385.398 -0.030 5 20 GBBD C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)S(N)(=O)=O 507703396 FVVSXLOJHNDQNU-VIFPVBQESA-N 394.431 -0.992 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 547930596 UWKLJCGRPDGTQW-DJNLSKAYSA-N 378.384 -0.190 5 20 GBBD CNS(=O)(=O)C1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596119664 NKHMJTBPEULORC-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD C[C@@H]1[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCS1(=O)=O 600425941 MATNFNILMVPVOS-PSASIEDQSA-N 381.366 -0.117 5 20 GBBD CC(C)(O)CONC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 824247187 MQMCXMFMFMRGFB-UHFFFAOYSA-N 376.391 -0.125 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@H]2C(=O)OC)c([N+](=O)[O-])n1 833681542 DMTNWUJNHKNNPT-IUCAKERBSA-N 390.374 -0.162 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(Cc2ccccn2)CC1 1117603851 LLZWSIAFTSNCHO-UHFFFAOYSA-N 387.400 -0.353 5 20 GBBD O=C(C(=O)N1CCC(O)(CO)CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1261608829 WXVQWXMLWYHXBK-UHFFFAOYSA-N 392.412 -0.411 5 20 GBBD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN)CCO3)C2)c([N+](=O)[O-])cc1O 1780195264 MLZGIYZHUVLIJH-QGZVFWFLSA-N 394.384 -0.289 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1781536813 VSGKWEHQRNHFAF-INIZCTEOSA-N 381.341 -0.945 5 20 GBBD Cn1cc(S(=O)(=O)NCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cn1 47059708 NEBRILWZGYDPOZ-UHFFFAOYSA-N 382.402 -0.165 5 20 GBBD CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 109034059 LXJUJZOBPFGTFJ-UHFFFAOYSA-N 398.441 -0.108 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1C(=O)CNC1=O 264439148 FKBGFNZGAZOFLO-SNVBAGLBSA-N 377.357 -0.229 5 20 GBBD COCCN(C)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 264776009 SOTWTBLUCQPKEP-UHFFFAOYSA-N 396.447 -0.714 5 20 GBBD C[C@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC(=O)NC1 282023684 WVJYDQOUCOWNTA-HNNXBMFYSA-N 384.414 -0.094 5 20 GBBD O=C(CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 296686505 QAFHGJMPUXFWJU-UHFFFAOYSA-N 378.389 -0.320 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 368984022 MPASOYPXSKYIAK-ZIAGYGMSSA-N 387.389 -0.039 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 369505770 AIRNZKNWOLUYSN-CYBMUJFWSA-N 380.405 -0.851 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 468721921 DRLAMSJCSPHXFV-NSHDSACASA-N 379.373 -0.137 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC(=O)N1CCNCC1 495668026 JFUMOXQNDMJSRZ-GFCCVEGCSA-N 381.437 -0.283 5 20 GBBD Cc1noc(COCC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 510503853 VZRJLAPSXMCSCQ-UHFFFAOYSA-N 399.385 -0.102 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N(C)C[C@H](O)CO 580368365 KNKBGKVDLIIMMJ-UWVGGRQHSA-N 375.403 -0.149 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 583035293 ONSPVEPYOOIAKN-NWDGAFQWSA-N 391.384 -0.754 5 20 GBBD CN(CCN1CCNCC1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 592469641 XXFYANHMUJGSIF-UHFFFAOYSA-N 399.473 -0.373 5 20 GBBD O=C([C@@H]1[C@H]2CNC[C@H]21)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 592477882 KRHAETAJWGLRRU-FICVDOATSA-N 380.426 -0.107 5 20 GBBD NS(=O)(=O)c1cc2c(s1)CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 595885588 PTYQDZMDQPQJTM-LLVKDONJSA-N 387.443 -0.081 5 20 GBBD C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1S(C)(=O)=O 596183047 HYUVDENYKWXUNQ-VIFPVBQESA-N 378.432 -0.288 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)n1 599228893 LWXKQNKEBUDJQR-UHFFFAOYSA-N 381.436 -0.674 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599247386 BKTZPGGDBACTCR-SDBXPKJASA-N 386.390 -0.673 5 20 GBBD COc1ccc(CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] 609016873 IKVOBRCHJZWWPM-UHFFFAOYSA-N 389.372 -0.497 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 609531306 OJDAXYIOFZESDK-OAHLLOKOSA-N 378.433 -0.244 5 20 GBBD CC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 610126859 LJANUDAJVZKRRU-UHFFFAOYSA-N 391.384 -0.869 5 20 GBBD COCCNS(=O)(=O)c1c[nH]c(C(=O)OCCn2ccc([N+](=O)[O-])n2)c1 764024830 HNPIQAOSEDHVNP-UHFFFAOYSA-N 387.374 -0.099 5 20 GBBD CN1C(=O)CN(NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1=O 785306564 SKLRDQACGPVJRD-UHFFFAOYSA-N 393.312 -0.380 5 20 GBBD C[C@@H]1NC(=O)N(CCOC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1=O 837386342 LPMXEIJLHYWRCX-QMMMGPOBSA-N 378.297 -0.014 5 20 GBBD Cn1cc([C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 840421589 OJAZSYOZPGWFQE-DHGKCCLASA-N 392.372 -0.538 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1783178099 JHAZCQQKNLHHIO-APPDUMDISA-N 393.400 -0.109 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 267467023 RQHRABXPULQWFK-UHFFFAOYSA-N 399.429 -0.726 5 20 GBBD O=[N+]([O-])c1ccc(OCCN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 270830911 CTQSCCKJXFXUKN-CVEARBPZSA-N 385.442 -0.251 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOC2(CNC2)C1 417680174 MYIYKSCVNYXFMA-UHFFFAOYSA-N 399.429 -0.743 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)n1 427465202 MBKTXPQRJZKCDO-ZDUSSCGKSA-N 394.432 -0.184 5 20 GBBD COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 444439414 VEVLIRZQCRRQEH-DZGCQCFKSA-N 394.384 -0.081 5 20 GBBD NC(=O)N1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 511097236 DDQMZQNMOIDHOY-SNVBAGLBSA-N 385.402 -0.468 5 20 GBBD COc1cc(OCC(=O)NCCN2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 519056904 WOIHPCFJXMZPKG-UHFFFAOYSA-N 387.414 -0.171 5 20 GBBD NS(=O)(=O)c1cnn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 522721823 AARVZYCLKPQGBE-UHFFFAOYSA-N 395.401 -0.818 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@](F)(CO)C1 619816419 VWFMGXIFGVVIRT-CQSZACIVSA-N 390.393 -0.011 5 20 GBBD COC(=O)[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(-c2nn[nH]n2)cc1 736898249 JEMZXOFXTQKLOK-NSHDSACASA-N 388.300 -0.176 5 20 GBBD C[C@H](OC(=O)c1cc([N+](=O)[O-])cnc1N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 781667396 CAADAJJWEXYENF-IUCAKERBSA-N 386.386 -0.237 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H]2C[C@]2(CO)C1 782974916 ZPFNYFYFUHJSMQ-IAQYHMDHSA-N 384.414 -0.103 5 20 GBBD C[C@]1([C@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)NC(=O)NC1=O 820612821 KECWECCOVLVDAB-VXJOIVPMSA-N 387.360 -0.016 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1-c1nn[nH]n1 826500288 SBKOTYZBGILARD-MRVPVSSYSA-N 391.373 -0.340 5 20 GBBD CC(=O)N1CCN(C(=O)CCNC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 1251704200 GYZHFDKKADYBRB-UHFFFAOYSA-N 380.405 -0.313 5 20 GBBD Cc1cnc(N2CCN(S(=O)(=O)NCc3cnn[nH]3)CC2)c([N+](=O)[O-])c1 1577487497 XSARZHSKQCVFJM-UHFFFAOYSA-N 382.406 -0.427 5 20 GBBD CCNC(=O)CN1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 1596462414 ZQMFUNFORJKIIQ-UHFFFAOYSA-N 393.400 -0.333 5 20 GBBD Cc1nn(C)c(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1-c1nn[nH]n1 1606109957 FBPZDEWFUTXNCZ-UHFFFAOYSA-N 387.408 -0.164 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)N1 1779378638 FLADODQPAFGTGI-QFYYESIMSA-N 392.372 -0.960 5 20 GBBD NC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1785629252 CDOOTAZQQNMNTK-OAHLLOKOSA-N 380.361 -0.965 5 20 GBBD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]1 1798008931 PXHRSPXDFDICGN-DDFAGTSDSA-N 389.372 -0.134 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 66315567 QPIFSWXMQJNPCR-UHFFFAOYSA-N 375.341 -0.336 5 20 GBBD O=C1CN(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCN1 272636667 BURXFDLUYBNSFE-UHFFFAOYSA-N 386.386 -0.924 5 20 GBBD CN(CC(=O)N1CC[C@](C)(C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 280033157 MUXGYBCEEQFNHH-HNNXBMFYSA-N 384.414 -0.061 5 20 GBBD CO[C@H]1COC[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 291102259 ZUQLEICTHYPUQM-STQMWFEESA-N 388.402 -0.414 5 20 GBBD CO[C@@H]1COC[C@@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 458026648 ZUQLEICTHYPUQM-QWHCGFSZSA-N 388.402 -0.414 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 485828660 ANLFVRFFDZDEJE-CABZTGNLSA-N 375.341 -0.524 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCS1(=O)=O 574819752 KCYRTPXXFIQSTD-LBPRGKRZSA-N 391.427 -0.434 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 598895239 XELCEOPVPIGSSO-UHFFFAOYSA-N 392.416 -0.051 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 604499005 IFBTXTBAXZUFSA-UHFFFAOYSA-N 385.446 -0.029 5 20 GBBD NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)O1 826390183 SDMGODMGKNYZHI-IONNQARKSA-N 397.373 -0.914 5 20 GBBD CCNC(=O)CN1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 1590741683 IONBHPTYJXAZGB-UHFFFAOYSA-N 375.393 -0.385 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1 1815817629 SBVYCEQZUOMOPT-NSHDSACASA-N 393.360 -0.483 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1836508227 QQROXBLQZSCMPF-XMZIXOGTSA-N 397.363 -0.254 5 20 GBBD C[C@@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843391021 NFSLQYGYVWGSPP-HNNXBMFYSA-N 395.372 -0.249 5 20 GBBD C=CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844371122 JJPKKRPCJZGXSS-SNVBAGLBSA-N 376.373 -0.174 5 20 GBBD O=C(CN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 267453079 IURHYPZADWAMRV-JTQLQIEISA-N 381.776 -0.171 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 299214540 JGCDBQJXAGUWSA-GFCCVEGCSA-N 399.381 -0.498 5 20 GBBD CNc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] 471318083 CEQUDXUANACHJB-KGLIPLIRSA-N 398.441 -0.448 5 20 GBBD Cn1cc([C@H](CO)NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 481845683 ITIAGCZUUIJXHC-AWEZNQCLSA-N 397.413 -0.154 5 20 GBBD CCOCCS(=O)(=O)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 732505686 HCUVYJKGFPSWTO-UHFFFAOYSA-N 388.402 -0.124 5 20 GBBD COC(=O)N[C@@H](C)C(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861407103 KBOJSUSQYPBWQZ-VIFPVBQESA-N 375.359 -0.151 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1117954300 FEZDMQANIUYBML-UHFFFAOYSA-N 389.412 -0.331 5 20 GBBD O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN(CCO)CCN1CCOCC1 1609602445 LYXLSRCKDSQVML-UHFFFAOYSA-N 377.405 -0.099 5 20 GBBD C[C@@H](CN)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795960577 TWQWADMXFQPOID-FQUUOJAGSA-N 391.428 -0.011 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2)c1nc[nH]n1 1796025354 APNROTYHLPHMRU-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD O=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nc[nH]c2[N+](=O)[O-])C3)CN1 1801670679 VIFZSLOMFBKTPD-CHWFTXMASA-N 376.373 -0.294 5 20 GBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)C1 1802010378 UQCIXFPAROCGRY-DDFAGTSDSA-N 377.357 -0.500 5 20 GBBD CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 29960593 ALFRFAQAVHTGQF-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD O=C(C[C@@H]1COCCN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 262269559 VMDDCLGCLWMLNE-CYBMUJFWSA-N 398.441 -0.194 5 20 GBBD C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)CC1 264100357 FNGRIBDKQYDVCM-NSHDSACASA-N 384.414 -0.232 5 20 GBBD CN1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 279074165 DFFMCSSTTRJVQA-UHFFFAOYSA-N 375.385 -0.446 5 20 GBBD CC[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC 457973391 PXUORVVMYZJLHN-GFCCVEGCSA-N 387.418 -0.303 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOC[C@@H](O)C1 458398632 FRISWDDYVWIAMF-NSHDSACASA-N 388.402 -0.724 5 20 GBBD NC(=O)N1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 549079011 SGLIBOVTIRMPGH-UHFFFAOYSA-N 377.357 -0.067 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)S(N)(=O)=O 566710201 UOQAQOMTFXBZCP-VIFPVBQESA-N 386.386 -0.891 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 596642848 OZMHDIJNGXERCB-LBPRGKRZSA-N 382.398 -0.375 5 20 GBBD O=C(c1cnn(C[C@H](O)CO)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 596784342 GROGDDBZWIVJIP-AWEZNQCLSA-N 376.373 -0.498 5 20 GBBD COC(=O)[C@@H]1OCC[C@@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 598009678 JIRATAYOGNUZHR-GXTWGEPZSA-N 380.357 -0.159 5 20 GBBD COC(=O)C[C@@H](O)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 600058255 KUWXSBVKHUURGA-SECBINFHSA-N 397.340 -0.265 5 20 GBBD COC(=O)[C@]1(OC)CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 600297291 ZQWJAAPNUKVBEX-AWEZNQCLSA-N 387.370 -0.354 5 20 GBBD CNc1c(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] 613229084 PLUVDPCOIJAEOL-UHFFFAOYSA-N 385.446 -0.057 5 20 GBBD CCS(=O)(=O)NCCNC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC 731607010 DKHGJKFXGUWLOL-UHFFFAOYSA-N 389.386 -0.150 5 20 GBBD COC(=O)CNC(=O)COC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 733512780 DTIWNGSPSMXRJD-UHFFFAOYSA-N 377.313 -0.070 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 742296823 JZZMQXFLMOPRED-UHFFFAOYSA-N 395.191 -0.681 5 20 GBBD Cn1cc(N2C[C@H](C(=O)NS(=O)(=O)c3cccnc3[N+](=O)[O-])CC2=O)cn1 860877122 VSNHDNCRJWCAAE-SECBINFHSA-N 394.369 -0.419 5 20 GBBD CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1323296708 DGJBBFHUPHGBLR-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD CC1(C)CN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1345475955 ZXWZJXFFJJPWBT-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@@H](C)SC[C@H]1C(=O)NCCC(=O)O 1600720722 VUUVWDRFSCTEJN-ZJUUUORDSA-N 385.402 -0.019 5 20 GBBD CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793640953 OFHYEJPJATXHMN-OPDFLTKYSA-N 392.416 -0.385 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-])[C@@H]1C[C@H](O)CN1 1796850732 SFUBWUPCSYRZHR-OSUNSFLBSA-N 378.389 -0.708 5 20 GBBD CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834942230 AQGIXDRGEPXQDS-QGZVFWFLSA-N 395.416 -0.446 5 20 GBBD O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(C(=O)Cn2cnnn2)CC1 270328360 XAXOYJGPXBEWMG-UHFFFAOYSA-N 398.383 -0.024 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] 282611252 VFRFYUOPLFBQOB-NSHDSACASA-N 385.398 -0.021 5 20 GBBD CCN(C)C(=O)CNC(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 283844692 BPZVXAWIYCQFOK-UHFFFAOYSA-N 396.400 -0.135 5 20 GBBD CNc1ccc(S(=O)(=O)N(C)Cc2cc(=O)n(C)c(=O)n2C)cc1[N+](=O)[O-] 298101538 PEXJMGDTOKCTFS-UHFFFAOYSA-N 397.413 -0.145 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 498332905 BWVDKHJCXPKOIA-UHFFFAOYSA-N 399.429 -0.502 5 20 GBBD C[C@](O)(CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 568753308 NRCYNBYJEUALEI-AWEZNQCLSA-N 389.386 -0.137 5 20 GBBD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 571003745 ZRZZFFPXJOINJM-STQMWFEESA-N 392.416 -0.014 5 20 GBBD CN(C)[C@H]1CN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C[C@@H]1O 578521268 PZXQTQGQVHODDG-KBPBESRZSA-N 376.369 -0.005 5 20 GBBD NC(=O)N1CCN2C(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3F)C(=O)[C@H]2C1 600538063 SFTVNRGXLXGLLY-LLVKDONJSA-N 379.304 -0.056 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)n1 615489007 SYBHGCGKEPUOJO-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 746596787 SHSGITLFTPFKMY-GHMZBOCLSA-N 388.402 -0.241 5 20 GBBD CNC(=O)[C@@H](O)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 809837741 HRLNXDGPOKOWDR-QMMMGPOBSA-N 382.192 -0.258 5 20 GBBD COC[C@H](CS(=O)(=O)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)OC 853203708 HVMHYYAATWNCAA-LLVKDONJSA-N 378.407 -0.094 5 20 GBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CCNCC2)C1 1118195588 OFYHASPNNWKDER-ZDUSSCGKSA-N 377.401 -0.573 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1328229457 XCARHOBTJVEJLL-UONOGXRCSA-N 397.409 -0.592 5 20 GBBD C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1789876495 DOHAQRHFVLEADJ-MNXVOIDGSA-N 394.384 -0.084 5 20 GBBD NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1835552830 GBKRUFFOCQXPSS-QGZVFWFLSA-N 394.384 -0.671 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1)N1CCCC1 274906100 RKZFSZPESZNZSL-UHFFFAOYSA-N 377.357 -0.398 5 20 GBBD O=C(NC[C@@H](NC(=O)c1cc([N+](=O)[O-])[nH]n1)C1CC1)c1cc([N+](=O)[O-])[nH]n1 286319914 HPQILQSOWUAICQ-SECBINFHSA-N 378.305 -0.112 5 20 GBBD COC(=O)c1cc(C(=O)NCCOCCS(N)(=O)=O)cc([N+](=O)[O-])c1 288348093 WTEXEBQWOOZGFK-UHFFFAOYSA-N 375.359 -0.584 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CC(n3ccnn3)C2)c([N+](=O)[O-])c1 378538343 ABVGSYNRSDEGBB-UHFFFAOYSA-N 395.401 -0.281 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424432428 ACJVILCOVDSQMH-LBPRGKRZSA-N 399.381 -0.194 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 520362623 JVHBMRONUURLNA-NSHDSACASA-N 384.414 -0.081 5 20 GBBD NC(=O)[C@]1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 552188348 QYKPUTCBNBSPAQ-PSLIRLAXSA-N 382.398 -0.290 5 20 GBBD Cc1c(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 594392391 GHNLCGRVFLPTIP-WDEREUQCSA-N 384.414 -0.558 5 20 GBBD CC(C)(C)n1nnc(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 594395675 CDVKIDVLPVKETG-UHFFFAOYSA-N 397.417 -0.069 5 20 GBBD O=C(NCCN1CC[C@@H](O)C1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 600071343 YMYFMNQENCLYCP-LLVKDONJSA-N 394.384 -0.123 5 20 GBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 797284707 MGHPZPVYPNMBPG-SSDOTTSWSA-N 394.383 -0.381 5 20 GBBD O=C(NC[C@H]1CNCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 842277642 NDCGMTYPRZWTMP-OAHLLOKOSA-N 377.401 -0.652 5 20 GBBD CCN(OC)C(=O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 844071157 DZYLBFCMGNVDTO-UHFFFAOYSA-N 388.402 -0.211 5 20 GBBD C[C@@H](NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C 918838763 FXQBDEFACBRUGP-SNVBAGLBSA-N 380.357 -0.539 5 20 GBBD CN(C)C(=O)CNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 921142486 DYBKVGCGULHQMK-UHFFFAOYSA-N 389.459 -0.575 5 20 GBBD CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1834807592 GSPAVRSBJQYFMH-MRXNPFEDSA-N 381.389 -0.342 5 20 GBBD CCOC(=O)c1ccnc(N2CCN(CCS(N)(=O)=O)CC2)c1[N+](=O)[O-] 266177851 BJJBKFMXGUYYDS-UHFFFAOYSA-N 387.418 -0.423 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 273054822 KHCDPFDCDSSFJT-CQSZACIVSA-N 378.385 -0.003 5 20 GBBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C(N)=O)C1 280888665 GOTSDIGZCJGJHQ-JTQLQIEISA-N 393.385 -0.404 5 20 GBBD COC(=O)c1cc(C(=O)NCCN2CCS(=O)(=O)CC2)cc([N+](=O)[O-])c1 298774135 QKNZVWPZAJKYEH-UHFFFAOYSA-N 385.398 -0.158 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCOCC1 421984464 IWHJVZFBZFXKNN-UHFFFAOYSA-N 386.430 -0.336 5 20 GBBD Cn1nncc1S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 477549045 BDDLKULDXREORR-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD Cn1cnc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 514892686 JERSMRKEMKJQGJ-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD O=C(C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 516548165 HCJIWBWUTVYKNL-CFVMTHIKSA-N 389.412 -0.132 5 20 GBBD Cn1cc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(O)nc1=O 519081449 OILSNDKFSXTMNK-UHFFFAOYSA-N 397.369 -0.898 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 584433724 NMMGSNBUZBVEBB-OCCSQVGLSA-N 387.462 -0.054 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@](O)(Cn2ccnn2)C1 585795717 WTLSLQNBVOHTKQ-SJKOYZFVSA-N 388.384 -0.032 5 20 GBBD COC(=O)[C@@H]1OCC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 598012225 XXDZZSOGNOYFCX-CMPLNLGQSA-N 387.370 -0.389 5 20 GBBD CC(C)[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCC[C@H](C(N)=O)C1 919520350 PKBZFBDZSVPBAH-CMPLNLGQSA-N 382.377 -0.522 5 20 GBBD CN1C[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 1323294152 GFJITRPVASVKSV-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 1331377934 COMGUQNDMMPBCM-CQSZACIVSA-N 389.412 -0.020 5 20 GBBD CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1346301200 AENIFKXLLFOGHF-NEPJUHHUSA-N 380.405 -0.329 5 20 GBBD CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796849662 OROHTFZTZSAXTA-ILWJIGKKSA-N 385.402 -0.386 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([C@H]2CCCCN2C(=O)C(O)O)CC1 1824025440 ZBFLTWFCJBWDEZ-LLVKDONJSA-N 381.389 -0.138 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846576 XYDZQAMNQQQAKC-UHFFFAOYSA-N 391.340 -0.443 5 20 GBBD C[C@@H](NC=O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845180436 CNBHASKBHTYZAK-GFCCVEGCSA-N 391.384 -0.906 5 20 GBBD CC(=O)N1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 26489019 NUFPIXJCVVAVKB-UHFFFAOYSA-N 376.417 -0.198 5 20 GBBD O=C([C@@H]1COCCN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262642935 RIMYSRNFUDXDTJ-LBPRGKRZSA-N 384.414 -0.584 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 264782355 SBIOEVHQIGGNBK-NSHDSACASA-N 375.385 -0.447 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 266932395 NMVRRKIHHIGZOF-SNVBAGLBSA-N 393.443 -0.330 5 20 GBBD CC(=O)N1CC(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 276272194 DARSDOCBBBQQOC-UHFFFAOYSA-N 396.425 -0.094 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2nncn2C[C@H]1C(=O)O 591652984 IASPMNALEQYOBJ-CABZTGNLSA-N 388.340 -0.200 5 20 GBBD NS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 597263038 BMGLLPOTYWZDFK-NWDGAFQWSA-N 398.445 -0.082 5 20 GBBD O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](O)C1 600216842 FZBJMJZEBZHRRU-RDBSUJKOSA-N 385.398 -0.688 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1O 619874212 JYCZQEAMJZYFOT-LBPRGKRZSA-N 381.341 -0.179 5 20 GBBD NC(=O)N1CCN2C(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@H]2C1 748695568 OHCRRANVOISECQ-LLVKDONJSA-N 394.319 -0.301 5 20 GBBD COC(=O)[C@H](Cn1ccnc1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 788605405 QJDULQGQBSEQAC-ZDUSSCGKSA-N 375.341 -0.121 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 854833274 FMSKXXIIKCCJGX-UHFFFAOYSA-N 379.420 -0.347 5 20 GBBD C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCN1c1nccn2cnnc12 1319470229 FLZVFFFGYZYTJO-LBPRGKRZSA-N 398.383 -0.069 5 20 GBBD CO[C@@]1(CO)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 1591343460 WCLVYUHYSRCODL-AWEZNQCLSA-N 398.401 -0.063 5 20 GBBD C[C@H](C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)n1cnnn1 1846644098 FGTQPAPQTNTOAL-LLVKDONJSA-N 389.376 -0.758 5 20 GBBD C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCNC1=O 23225457 AIXYKZNIMNOKDU-VIFPVBQESA-N 392.324 -0.196 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC(=O)N1CCOCC1 41278410 CEDLDJMKUYNZSO-UHFFFAOYSA-N 380.357 -0.093 5 20 GBBD O=C(NCCOCCO)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 269486765 WYYBURTYYOUDMO-CQSZACIVSA-N 387.414 -0.127 5 20 GBBD CN(C)C[C@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 269919271 PMNFGBNSNYNPLM-OAHLLOKOSA-N 388.446 -0.356 5 20 GBBD O=C1CN(CCNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCN1 273008566 RZUFBBCNKHDUDW-UHFFFAOYSA-N 376.417 -0.142 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)c(C)c([N+](=O)[O-])c1 276842100 HWEIMJMHCKFLIL-SECBINFHSA-N 378.341 -0.025 5 20 GBBD CCC[C@H](O)[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 414022579 QWCWLDMFHPEBRM-PWSUYJOCSA-N 375.403 -0.489 5 20 GBBD COC[C@]1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCNC1 423081568 DACHCUAPZPYJOG-HNNXBMFYSA-N 386.430 -0.385 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 498674412 UOPOLRJLXFOWPL-SNVBAGLBSA-N 380.357 -0.407 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 511606272 ZJXZJESCUYTTJZ-SECBINFHSA-N 378.432 -0.064 5 20 GBBD COc1cc(CCNC(=O)C(=O)NC[C@H]2COCCO2)c([N+](=O)[O-])cc1OC 550247219 RNMNBUOXCBWLAC-LBPRGKRZSA-N 397.384 -0.198 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 594820916 DEJZRLXYQUIGDS-OLZOCXBDSA-N 378.428 -0.131 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 825208056 RCPQQQUWCQEMLJ-AWEZNQCLSA-N 376.369 -0.422 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] 858629458 RMNZDABSBRZDMW-SNVBAGLBSA-N 386.386 -0.182 5 20 GBBD O=[N+]([O-])c1cnc(NC[C@@]2(CO)COC[C@@H]3CCCN32)c(-c2nn[nH]n2)c1 1582804753 KQCKYFCNPDIFCC-ZUZCIYMTSA-N 376.377 -0.193 5 20 GBBD CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652851 URUFJNGCZSPPSX-YDHLFZDLSA-N 378.385 -0.244 5 20 GBBD CC(C)(O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401468 DYINAIZKHNJJIW-PEGIJTEDSA-N 381.389 -0.318 5 20 GBBD O=C(C(O)O)N1CCC([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1825123799 UDUFWUGPFVKIIC-CQSZACIVSA-N 395.416 -0.278 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)CC(N)=O)CC2)cc1[N+](=O)[O-] 265768088 DHMDWVDSAGLGOG-UHFFFAOYSA-N 386.386 -0.688 5 20 GBBD COC[C@H](O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 270876238 MRIRORRKMORPCM-GFCCVEGCSA-N 390.418 -0.430 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@@H]2C1 273577560 NKBXCORLAOHHST-GFCCVEGCSA-N 397.413 -0.213 5 20 GBBD COC(=O)[C@H](O)C(C)(C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 277087540 RMDBXVNKPODIEC-LBPRGKRZSA-N 390.370 -0.043 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 281213753 QMWLZWVQAYNOIR-UHFFFAOYSA-N 392.459 -0.057 5 20 GBBD C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C(=O)N1CCS(=O)(=O)CC1 284131800 VMODGAGTKKJIKV-QMMMGPOBSA-N 388.377 -0.309 5 20 GBBD COC(=O)CC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 288755421 NTYGFIWEKDOOOE-LBPRGKRZSA-N 388.402 -0.730 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCC[C@H](NC(C)=O)C2)c1=O 299036543 IYHHEMUSZJIPKJ-NSHDSACASA-N 380.357 -0.330 5 20 GBBD CC(=O)N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 422238029 QVKYUQPPDVGLTL-GFCCVEGCSA-N 399.429 -0.207 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNc1cnccn1 469236391 TUQHOHRAPUKFQR-UHFFFAOYSA-N 381.370 0.562 5 20 GBBD COc1ccc(NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] 570521731 YSLUXYXEAAARCS-JTQLQIEISA-N 386.386 -0.308 5 20 GBBD CNC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CCO1 599388476 IENUONJUTCABDK-JTQLQIEISA-N 388.402 -0.078 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H](O)[C@H]1CCCO1 600239299 SUUREWZBPHYYLM-UONOGXRCSA-N 387.414 -0.081 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 609354321 UIQPSGMCBRQACW-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O 609581168 VVHNPQOBYPMKEW-UHFFFAOYSA-N 376.329 -0.941 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 612655274 BTDZOLAANQPNAG-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD Cn1c(=O)c2nc(COC(=O)COc3ccc([N+](=O)[O-])cc3)[nH]c2n(C)c1=O 784947597 FUVSYUOYULHIHO-UHFFFAOYSA-N 389.324 -0.009 5 20 GBBD Cn1ccnc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c1=O 822693413 CORXNVRNBKKTOW-UHFFFAOYSA-N 384.360 -0.410 5 20 GBBD O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826479978 NRQTVDUVDOWZSR-BDAKNGLRSA-N 393.385 -0.184 5 20 GBBD CON(C)C(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 863704264 GTQDKKMORONKIZ-SNVBAGLBSA-N 388.402 -0.212 5 20 GBBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CN2CCOCC2)CC1 917389966 AXBKRFFSTQIWEN-UHFFFAOYSA-N 391.428 -0.065 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1779378688 GJERDXWRKFBAFC-MLGOLLRUSA-N 379.373 -0.060 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1781934368 DYUWSKPZGPRKAW-INIZCTEOSA-N 381.341 -0.945 5 20 GBBD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)ncc1[N+](=O)[O-] 1783865403 GYRZTCPUQZOZTN-MJVIPROJSA-N 394.384 -0.798 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)c1 1795525432 MEIKNVXOHBIFRS-DPIQGUFMSA-N 391.428 -0.177 5 20 GBBD Cc1nn(CCC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C)c1[N+](=O)[O-] 263642021 CQLHIBZAOVNXFG-UHFFFAOYSA-N 392.416 -0.252 5 20 GBBD O=C([C@H]1C[C@@H](O)CN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 269194442 QBWBFOKRSCFJEM-VXGBXAGGSA-N 384.414 -0.850 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 274673928 KJSKLXPMQPHIJQ-GJZGRUSLSA-N 383.426 -0.561 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 279040379 AANBNUCINRDRIX-BMLIUANNSA-N 389.368 -0.086 5 20 GBBD NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 294517896 KUBRKBINLRWHSJ-UONOGXRCSA-N 376.369 -0.088 5 20 GBBD COC(=O)C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OC 298112047 PWGBBWROMYERKN-VIFPVBQESA-N 393.308 -0.588 5 20 GBBD CCS(=O)(=O)NCCNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 298626892 ZIZUFCVRAILDMP-QWHCGFSZSA-N 390.418 -0.772 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 298785930 NZHBOPRFROGSEC-UHFFFAOYSA-N 385.344 -0.558 5 20 GBBD CCN[C@H](C)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420174408 SZENQZFQEIVMTB-LLVKDONJSA-N 386.430 -0.401 5 20 GBBD Cc1c(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cccc1[N+](=O)[O-] 481461368 AAVCOUZCQOXQPC-UHFFFAOYSA-N 386.368 -0.033 5 20 GBBD O=C(NCCCN1CCNCC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 578851769 TWQQYGXVSUDWPW-UHFFFAOYSA-N 375.429 -0.109 5 20 GBBD NC(=O)c1ccc(SCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 579495519 DHXONJOILZMARN-QWRGUYRKSA-N 393.425 -0.444 5 20 GBBD NC(=O)c1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 580673393 WXYFZOCOOTXGEJ-UKRRQHHQSA-N 398.441 -0.719 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCN(C)C1=O 591537430 NJSUOGXCGNZART-CYBMUJFWSA-N 384.414 -0.190 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 596168118 KZWDZVCRKURIQH-ZDUSSCGKSA-N 397.457 -0.015 5 20 GBBD CS(=O)(=O)c1ccc(N2CCC(NS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 599176377 SBINWQPHUCLQQV-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 619778660 NPPFKDQASNAVCI-UHFFFAOYSA-N 380.386 -0.015 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCNS(C)(=O)=O 731603619 SZPHPTICZJZUPL-UHFFFAOYSA-N 375.359 -0.540 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCN(C)C2=O)cc1[N+](=O)[O-] 734883247 VBLLUPPTHCMXPU-LBPRGKRZSA-N 386.386 -0.311 5 20 GBBD CCCc1[nH]nc(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c1[N+](=O)[O-] 796265501 DJOSHHAQWZIZKT-UHFFFAOYSA-N 391.344 -0.099 5 20 GBBD NC(=O)NC(=O)CCNC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 826765239 WLZBSFAJDDNPCH-UHFFFAOYSA-N 385.283 -0.266 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1[N+](=O)[O-] 854833897 PRZRRHQIYAWPJC-UHFFFAOYSA-N 394.435 -0.643 5 20 GBBD CN1C(=O)CN(CC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1=O 860304942 QCFRVIHIMWMEIJ-UHFFFAOYSA-N 376.325 -0.079 5 20 GBBD CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)C[C@@H]1CO 1579376756 DWYGPFYHRXVBJG-SNVBAGLBSA-N 383.390 -0.928 5 20 GBBD CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])cc(C(=O)O)c1=O)N1CCOCC1 1590713614 WBAUNXPQRBWKNI-UHFFFAOYSA-N 382.373 -0.318 5 20 GBBD O=[N+]([O-])c1cnc(N2CCC(O)(CN3CCOCC3)CC2)c(-c2nn[nH]n2)c1 1593486549 ZHTXUULJBABHLH-UHFFFAOYSA-N 390.404 -0.167 5 20 GBBD CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000119 ZIAMWLMQVZLXCF-NDPMZMCLSA-N 381.389 -0.848 5 20 GBBD C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])CCCN1 1796404786 XUTGPGNOKRYLSH-UZTWBRENSA-N 392.416 -0.337 5 20 GBBD C[C@H](C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1)n1cncn1 1842000891 YIGGKGMRTYMAIP-GFCCVEGCSA-N 388.388 -0.153 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 281421376 KJSDHRSINBAQMP-LLVKDONJSA-N 394.384 -0.016 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2=O)cc1[N+](=O)[O-] 287505302 UTJVUPLQXQMBOM-VIFPVBQESA-N 386.342 -0.191 5 20 GBBD CNC(=O)NC(=O)[C@H](C)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420998422 BPSYITWKGNNUJN-JTQLQIEISA-N 387.418 -0.351 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(NC(N)=O)CC1 421997468 XIEZMAMEDHMVCX-UHFFFAOYSA-N 385.402 -0.468 5 20 GBBD NC(=O)[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 482212500 PHVVGWQTTDUFNH-NXEZZACHSA-N 382.398 -0.026 5 20 GBBD CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 525699437 SDTLWNRXRJBBMX-JTQLQIEISA-N 378.432 -0.060 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)c([N+](=O)[O-])n1 532855804 ZJCDTDHQMGTWPS-JTQLQIEISA-N 397.417 -0.063 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] 581022951 PIPBEMXIBUPRPN-KWQFWETISA-N 388.377 -0.325 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(N)c([N+](=O)[O-])c(CO)c1)C2 588028570 WFYATBRJVBYXCX-UHFFFAOYSA-N 391.388 -0.864 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2C[C@@H](C(=O)OC)C[C@@H](O)C2)c([N+](=O)[O-])c1 592003974 JLHLNWFOEOGRLL-NWDGAFQWSA-N 395.368 -0.142 5 20 GBBD Cn1ccnc(N2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC2)c1=O 596146332 YWGWKJIPOVTYMU-UHFFFAOYSA-N 394.413 -0.338 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] 597639999 JQXOXCWXRGSMBC-SNVBAGLBSA-N 383.361 -0.599 5 20 GBBD CNC(=O)c1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c(OC)c1 599956893 QYICRXJCIZYERR-UHFFFAOYSA-N 390.356 -0.086 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNC(=O)c1cnccn1 608844559 VKCAMXOPZVJYJO-UHFFFAOYSA-N 388.340 -0.122 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 826366813 YYAVANZQFUTKMA-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD CCN1CC[C@@H](OC(=O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 849664470 CHFMVRCTPVKZBN-GFCCVEGCSA-N 386.386 -0.182 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 854833044 CUHXXCJYHXQWFU-UHFFFAOYSA-N 379.420 -0.347 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1261340189 WVGUGASQUXMOPS-CYBMUJFWSA-N 382.398 -0.413 5 20 GBBD O=C(N[C@@H]1CCc2nnnn2CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1331824123 ZUHQMMPGCSDTQG-CYBMUJFWSA-N 385.384 -0.013 5 20 GBBD CC(C)NS(=O)(=O)CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 1341161118 IKEFENQHZJWASR-UHFFFAOYSA-N 398.441 -0.077 5 20 GBBD O=C(NC/C=C/CNC(=O)C1(Cc2cnn[nH]2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1578005434 ASSLNRKRWFQQEY-GEYXIOIISA-N 392.416 -0.402 5 20 GBBD C[C@H](O)C[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1589996992 LNCIULRCBAZUII-VHSXEESVSA-N 398.401 -0.065 5 20 GBBD CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000123 ZIAMWLMQVZLXCF-WJNVRWDZSA-N 381.389 -0.848 5 20 GBBD COC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1802700979 XXOCQZQTMGFFGY-ILWJIGKKSA-N 380.361 -0.074 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])[nH]1 1811617732 ZJKQYJJVBRUEBL-BXUZGUMPSA-N 389.368 -0.052 5 20 GBBD CCC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998652 FGGKZQBOCOWJID-GFCCVEGCSA-N 392.416 -0.091 5 20 GBBD C[C@H]1OCC[C@H]1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 276115357 XYZFVSZAYUDJCR-ZWNOBZJWSA-N 393.443 -0.030 5 20 GBBD CN(C)CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 298286336 DAVAJBPPZURRSS-ZDUSSCGKSA-N 386.430 -0.666 5 20 GBBD Cn1nnnc1N1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 361320760 JZPWGONISRQCIE-UHFFFAOYSA-N 382.406 -0.153 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442024061 DUFLOCLXECZOEC-SNVBAGLBSA-N 377.313 -0.696 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NCCNS(=O)(=O)c1cccc(Cl)c1 477151250 PAMMREYJKMGOII-UHFFFAOYSA-N 388.793 -0.066 5 20 GBBD COC[C@@H](C(N)=O)N(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 500393598 MVCBMTVCBIMTEC-LBPRGKRZSA-N 388.402 -0.826 5 20 GBBD NC(=O)N1CCN2C(=O)N(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 521479134 WKYIKGAWKUKHIW-WCQYABFASA-N 393.356 -0.638 5 20 GBBD CC(C)NS(=O)(=O)NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] 568382818 NXQMURDZUINRPD-GFCCVEGCSA-N 376.435 -0.244 5 20 GBBD COc1c(F)cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] 594822114 KUWFVRBCROOPAH-GXSJLCMTSA-N 398.390 -0.167 5 20 GBBD Cc1nn(CCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c(C)c1[N+](=O)[O-] 610061155 VEQTWFODEJOJOO-LBPRGKRZSA-N 388.450 -0.170 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCC(=O)N1CCOCC1 729945464 INXBQLLZFCRXJL-UHFFFAOYSA-N 379.325 -0.278 5 20 GBBD COC(=O)CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 915668771 RZRRBVCFQXYZCO-UHFFFAOYSA-N 390.352 -0.492 5 20 GBBD O=C(O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 1320742435 QYJARZJTYYKCFC-SNVBAGLBSA-N 377.350 -0.202 5 20 GBBD CNCCOCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1591219148 SHRFTUQHNUCWDV-UHFFFAOYSA-N 385.406 -0.369 5 20 GBBD Cn1c(=O)[nH]c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2nn[nH]n2)c1=O 1592544746 XYYMKOBWSBWYLP-UHFFFAOYSA-N 399.371 -0.512 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@]1(CO)COC[C@@H]2CCCN21 1593465142 FVLRRHBAUOHMAL-ZUZCIYMTSA-N 376.377 -0.193 5 20 GBBD CC(=O)N(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1843424443 PZWAQZINETXHGX-GFCCVEGCSA-N 392.416 -0.139 5 20 GBBD C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 272336778 OPYVPEUWZWHZRE-SECBINFHSA-N 399.381 -0.301 5 20 GBBD COC[C@@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])OC 272764784 GFVYEULIBCHEPV-SNVBAGLBSA-N 390.418 -0.178 5 20 GBBD Cc1c(C(=O)NC[C@@H]2CCCS2(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 326968876 PIRNBOCOZVXHKL-VIFPVBQESA-N 391.427 -0.142 5 20 GBBD CO[C@H]1C[C@@H]2C(=O)N(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)N2C1 349313322 CGXNFYVIJYVACX-WCQYABFASA-N 398.397 -0.075 5 20 GBBD C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420107487 AWIVQMASZICHRP-RISCZKNCSA-N 398.441 -0.401 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465040924 YHKGOJXHVMQFBY-GFCCVEGCSA-N 393.352 -0.201 5 20 GBBD COC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 476910567 BDICRBIBLBDQJO-UHFFFAOYSA-N 394.384 -0.350 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 565585272 ZSSWLNNXBAUOPZ-UHFFFAOYSA-N 396.425 -0.417 5 20 GBBD CCOC(=O)C[C@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 590384985 IQAMNXNSLRPPNP-SNVBAGLBSA-N 381.341 -0.250 5 20 GBBD O=C(NCc1ncc[nH]1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611642120 OIZVGVXOXKXZKB-JQWIXIFHSA-N 395.397 -0.242 5 20 GBBD CN(C)CCNC(=S)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 734980514 CXLLKFIMSGDEDJ-UHFFFAOYSA-N 375.476 -0.101 5 20 GBBD O=C(CCn1cc[nH]c(=O)c1=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 756319748 MMGKFVBPWKWRGY-UHFFFAOYSA-N 396.381 -0.575 5 20 GBBD Cc1nn(C)cc1S(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 809034921 IPRIJVDWROQZDM-UHFFFAOYSA-N 381.370 -0.128 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 823229023 ARRXBSZOJMNRTI-UHFFFAOYSA-N 389.307 -0.135 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 1117552485 LQYMVOOMOGRZRA-UHFFFAOYSA-N 384.414 -0.439 5 20 GBBD C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 1322317001 VEBWYIZQPBZBMB-CJNGLKHVSA-N 394.428 -0.077 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1326739212 VSDNCIWGKNQEJR-LBPRGKRZSA-N 382.398 -0.413 5 20 GBBD O=C(Cn1cc(-c2nn[nH]n2)nn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1592935771 BEEZMRCQQROPMJ-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCN(S(=O)(=O)C2CC2)CC1 1593466280 POTUHETTZQCWLV-UHFFFAOYSA-N 380.390 -0.216 5 20 GBBD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CN1 1848163798 CPDCUZQZDRUIII-WXHSDQCUSA-N 376.373 -0.871 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 29587141 JPGCNZXPRSCXSP-UHFFFAOYSA-N 382.402 -0.240 5 20 GBBD COc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 60925043 UKTYVTKKFANFRU-UHFFFAOYSA-N 379.416 -0.083 5 20 GBBD Cn1cc(CNCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 265297025 LSDMMYOJIPIMON-UHFFFAOYSA-N 397.413 -0.940 5 20 GBBD NC(=O)[C@@]1(O)CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 276496370 QUKIXELYWLLBHY-OAHLLOKOSA-N 384.414 -0.194 5 20 GBBD C[C@@H](CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)S(N)(=O)=O 437066441 ZESYDULKUAGYAQ-JTQLQIEISA-N 384.414 -0.121 5 20 GBBD CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])C1 568006925 WTVONJOKLHKWCQ-VIFPVBQESA-N 393.399 -0.395 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 611752920 NCFOARSQWLZEEW-VIFPVBQESA-N 378.432 -0.253 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](CO)[C@@H](O)C1 811837927 KWSXZFCRAQRCJB-MFKMUULPSA-N 375.403 -0.044 5 20 GBBD C[S@@](=O)CCN1CCN(c2ccc(C(=O)NCC(=O)O)cc2[N+](=O)[O-])CC1 832731052 WOMFUOWJVHXBQK-HHHXNRCGSA-N 398.441 -0.090 5 20 GBBD CCONC(=O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 845550596 OHHUFWFPGKYNKK-UHFFFAOYSA-N 389.390 -0.760 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 1118221213 PSWQMFKAFFFZBU-QWHCGFSZSA-N 379.369 -0.098 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1598501415 GNLVNZQEEXDFGJ-GXTWGEPZSA-N 379.369 -0.110 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1605689818 SOMNVUOPXBSROZ-BTDLBPIBSA-N 391.336 -0.120 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1779394467 DRUXTIQEVDOEPB-MEDUHNTESA-N 379.373 -0.202 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])[nH]1 1811617733 ZJKQYJJVBRUEBL-FZMZJTMJSA-N 389.368 -0.052 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)[C@H]2CCOC2)cc1 265456474 FPWHTDSQGVTKKT-LBPRGKRZSA-N 379.416 -0.419 5 20 GBBD O=[N+]([O-])c1cccc(OCCN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 269920015 UIZUICLRNAYWLL-CVEARBPZSA-N 385.442 -0.251 5 20 GBBD CNS(=O)(=O)NC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 281051031 QUJJTGBPNXQPNL-CQSZACIVSA-N 388.446 -0.147 5 20 GBBD NC(=O)[C@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 288621409 OKTUINGAUUNZBX-GFCCVEGCSA-N 384.776 -0.380 5 20 GBBD CC[C@H](C)NC(=O)CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 468872192 IEACJLOOIZZFIL-ZDUSSCGKSA-N 379.417 -0.185 5 20 GBBD O=[N+]([O-])c1ccccc1OCCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 507903817 NXBDWBFIMOMEOI-HUUCEWRRSA-N 385.442 -0.251 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 508388228 KYJYWUUOZAGJSZ-UONOGXRCSA-N 399.425 -0.481 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CNC(=O)C2)cc1[N+](=O)[O-] 555085114 NOMINOIULUSNBK-JTQLQIEISA-N 399.429 -0.302 5 20 GBBD Cc1sc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 569990270 PVYDDUNNCWXPIH-MRVPVSSYSA-N 384.413 -0.163 5 20 GBBD CC(C)Cn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)c(=O)n(C)c1=O 570569050 DXOLQFBTNSXJPY-UHFFFAOYSA-N 395.347 -0.123 5 20 GBBD O=C(C(=O)N1CCc2c[nH]nc2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 590990043 HPWMRVOOWWLLKW-UHFFFAOYSA-N 385.384 -0.054 5 20 GBBD COC[C@H]1CCN1C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 592800797 OCQRKNFDXZZUBC-DYEKYZERSA-N 399.425 -0.034 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 741122961 WIDPGYGYVCQWDV-UHFFFAOYSA-N 393.381 -0.028 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O 807000014 GVPSFPBLLDKRRL-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 823541274 NQWMEOKDSZIVGR-QMMMGPOBSA-N 394.373 -0.827 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 917467567 DRWXHWPPQWKYCQ-UHFFFAOYSA-N 389.368 -0.117 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)N1CCCC1 919670450 YHSGBNXVPKVQQH-UHFFFAOYSA-N 384.370 -0.223 5 20 GBBD COc1ccc(CNC(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] 1323464204 QKQLRSGOTINARU-LLVKDONJSA-N 385.398 -0.135 5 20 GBBD CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 1591051904 RKXXGWFVDREKBT-LSDHHAIUSA-N 388.388 -0.002 5 20 GBBD O=C(COCCO)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1781313177 MZSHRLYJADZKRS-MRXNPFEDSA-N 383.357 -0.360 5 20 GBBD O=C(Cn1nccn1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1781421818 NXUNBBJBMNSMLA-OAHLLOKOSA-N 390.360 -0.947 5 20 GBBD Nc1n[nH]c(CCC(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)n1 1844183148 NUCQFEYGDHCTBS-UHFFFAOYSA-N 389.376 -0.532 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 57404968 AOPMCHYSFQABDH-SNVBAGLBSA-N 391.427 -0.576 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1O 274642060 FOPNJOOSYINXQE-CHWSQXEVSA-N 385.398 -0.472 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCOCC(N)=O)c(C)c1[N+](=O)[O-] 276649381 CVFVVLLFCQZRIU-UHFFFAOYSA-N 376.347 -0.100 5 20 GBBD CN[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 423605148 GTUDCCCJVVMMNV-CYBMUJFWSA-N 389.412 -0.301 5 20 GBBD CS(=O)(=O)[C@@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 504203675 ISUNENDACBYZJE-LLVKDONJSA-N 383.382 -0.034 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCS1(=O)=O 574819751 KCYRTPXXFIQSTD-GFCCVEGCSA-N 391.427 -0.434 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(N2CCNCC2)n[nH]1 581487702 CKWGINADXOLAGZ-SNVBAGLBSA-N 392.424 -0.006 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593559209 YEEHZSWQLFMHJT-YMTOWFKASA-N 383.386 -0.011 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 596179495 QZHQJUZHGHPKCF-UHFFFAOYSA-N 387.418 -0.105 5 20 GBBD CCn1cc(S(=O)(=O)NCCS(=O)(=O)NC(C)(C)C)c([N+](=O)[O-])n1 611105949 MNDQBLYQHFRODC-UHFFFAOYSA-N 383.452 -0.193 5 20 GBBD CNC(=O)[C@H](O)CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 788179801 ZVUMJXXQBBRBHB-OAHLLOKOSA-N 393.400 -0.900 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 1342057791 XLZOKGGMQPUTKU-UHFFFAOYSA-N 380.401 -0.120 5 20 GBBD Cn1cc([C@H]2CSCCN2C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 1343184945 OXMRJKBHLGEJGY-CYBMUJFWSA-N 393.429 -0.042 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 1582199753 YFBDZYUDVPCBOK-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1606362876 YNCZCHLIRRZDQU-NTKGCBCNSA-N 379.325 -0.380 5 20 GBBD O=C(O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1608914723 HADMVWOLPZIDBN-KGLIPLIRSA-N 385.398 -0.427 5 20 GBBD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379358 JXXZTSCSMURAHP-OAHLLOKOSA-N 390.360 -0.498 5 20 GBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CC(=O)N2CCCC2)CC1 269203322 ZEBPUQKBXLNBCW-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD NC(=O)[C@]1(O)CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 276496366 QUKIXELYWLLBHY-HNNXBMFYSA-N 384.414 -0.194 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 277659520 ZSLOQTZHPUBSCI-UHFFFAOYSA-N 383.390 -0.562 5 20 GBBD C[C@H]1CCNC(=O)[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 282076176 LFBMRSLSKAMWQD-HZMBPMFUSA-N 384.414 -0.144 5 20 GBBD NC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 294517892 KUBRKBINLRWHSJ-KGLIPLIRSA-N 376.369 -0.088 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCN(C(=O)CN(C)C)CC2)c([N+](=O)[O-])c1 298325566 VSXMZVNETQNPOE-UHFFFAOYSA-N 385.446 -0.287 5 20 GBBD Cn1c(CO)cnc1S(=O)(=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 424205684 MMDAOUCPXJGDIR-UHFFFAOYSA-N 398.353 -0.038 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O 482052469 IBUIARKSLYKCBE-GFCCVEGCSA-N 390.356 -0.131 5 20 GBBD COCCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 554017638 NGGNDSZRWBVZRQ-UHFFFAOYSA-N 388.402 -0.858 5 20 GBBD CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 590977867 DERGWOWSAMITIV-CQSZACIVSA-N 377.401 -0.132 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 590985985 FRPAMMLNYXNVAG-GFCCVEGCSA-N 390.400 -0.625 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 598027662 LWDDXVRCZAMOBK-NEPJUHHUSA-N 392.411 -0.460 5 20 GBBD Cn1nnnc1CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 611306786 XOBUOWIGFIVFJX-UHFFFAOYSA-N 397.417 -0.206 5 20 GBBD O=C(N[C@@H]1C[C@H]1CO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 619561961 FNLIHEXHUQFGKZ-WGBDABJCSA-N 385.398 -0.784 5 20 GBBD O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NCCn1cc([N+](=O)[O-])cn1 823005568 WXTZZTUGPVDJHN-UHFFFAOYSA-N 385.344 -0.482 5 20 GBBD O=C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 860876017 JKFQTBRLPAYGKY-QIPHIMSASA-N 383.338 -0.485 5 20 GBBD CS(=O)(=O)NCCC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 914649044 DDGXSLZQJHCUPW-UHFFFAOYSA-N 389.342 -0.256 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 917446259 KYLVOOLAROEMNQ-NSHDSACASA-N 395.390 -0.037 5 20 GBBD CNC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 267206250 MBHZAEVWWNGWBF-UHFFFAOYSA-N 399.429 -0.301 5 20 GBBD COC[C@H](O)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 270819088 DZLPVMWQKWQLPQ-SNVBAGLBSA-N 390.418 -0.442 5 20 GBBD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] 270865274 IQRALEUWUCNYCZ-UHFFFAOYSA-N 383.386 -0.139 5 20 GBBD CC(C)[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O 274440538 XKVAGSITLBLYSI-LBPRGKRZSA-N 387.418 -0.318 5 20 GBBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCC(=O)N1CCOCC1 298454927 KTARMBQQEFRYOW-UHFFFAOYSA-N 378.341 -0.132 5 20 GBBD Cc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1[N+](=O)[O-] 299611372 GQFIDTCKJZFBBT-UONOGXRCSA-N 383.426 -0.181 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC(=O)N1C 421985297 JKXTZUOAVKYXIQ-ZDUSSCGKSA-N 384.414 -0.048 5 20 GBBD C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C 519532544 SXWFBGFMDBZYCN-LBPRGKRZSA-N 379.417 -0.103 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc([N+](=O)[O-])cn1C)C2 527052403 IQVFMUBFXQGNKC-UHFFFAOYSA-N 377.361 -0.964 5 20 GBBD CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 564799010 FOXMJFNFDSXDTJ-UHFFFAOYSA-N 378.389 -0.767 5 20 GBBD O=C1C[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 596642856 UZNZVJVEZUHZMK-NSHDSACASA-N 382.398 -0.294 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC[C@]2(OCCO)CCOC2)ccc1[N+](=O)[O-] 597994754 KTMMLSHYHGOLMU-QGZVFWFLSA-N 381.385 -0.083 5 20 GBBD C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O 598538692 FQQLVHVFWBDMOO-VIFPVBQESA-N 379.416 -0.578 5 20 GBBD CCOC(=O)[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 611861363 HUGQIVBARZTNQD-GFCCVEGCSA-N 389.386 -0.745 5 20 GBBD Cn1cnn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1=O 758291268 QWPWVTBZDCMYOE-UHFFFAOYSA-N 382.402 -0.546 5 20 GBBD O=C(C(=O)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)N1CCOCC1 784204875 OVZVWFNDWZDLOL-UHFFFAOYSA-N 388.384 -0.250 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1)N1CCOCC1 820058446 RYKJEYHULRZZMF-UHFFFAOYSA-N 394.359 -0.123 5 20 GBBD CNC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 821631506 KNEKMENEMVINSJ-UHFFFAOYSA-N 395.401 -0.078 5 20 GBBD CCN1CCN(CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)C1=O 919146848 DVXQJJFUHSKCFP-UHFFFAOYSA-N 378.341 -0.233 5 20 GBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1781536832 VSGKWEHQRNHFAF-MRXNPFEDSA-N 381.341 -0.945 5 20 GBBD CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789389662 KMHNHARQCMHYKA-GVXVVHGQSA-N 393.400 -0.348 5 20 GBBD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 27349231 BPKXFLRMEONBRG-ZDUSSCGKSA-N 398.441 -0.181 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCCS1(=O)=O 61598596 PLENQOANCGKSRV-NSHDSACASA-N 384.414 -0.135 5 20 GBBD C[C@H](CO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272920000 ZZCBQUIIXOGDBU-GVXVVHGQSA-N 387.414 -0.537 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c(C)c([N+](=O)[O-])c1 276963737 XIWGEMXDLBTIAZ-QWRGUYRKSA-N 381.341 -0.418 5 20 GBBD O=C(CC(=O)NCC1CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 427812416 QTEIUEBUURXIQL-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD CCn1cc(S(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)c([N+](=O)[O-])n1 435803208 CNJQVJMDZMIJSF-UHFFFAOYSA-N 399.433 -0.126 5 20 GBBD COC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 449005613 WGZCTVRZEWBNGG-LLVKDONJSA-N 375.359 -0.521 5 20 GBBD CC(C)OCCS(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 473537031 YNZRDPAAYFWNGH-UHFFFAOYSA-N 390.422 -0.915 5 20 GBBD CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCS(=O)(=O)C1 493203630 VCGLIAGKJFNCKS-NSHDSACASA-N 383.382 -0.034 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 576112055 VTQCVYOULBQGAY-JTQLQIEISA-N 398.397 -0.530 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 589111090 CTOIAHRGVGIIFM-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD CC[C@@H](O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 598197086 NRNODLYAZMSKQJ-MDZLAQPJSA-N 387.414 -0.394 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1325179634 TXRWOZVBVFGTAX-AWEZNQCLSA-N 392.368 -0.842 5 20 GBBD CN(C)S(=O)(=O)N(C)CC(=O)OCc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1604690824 FZNWIFUPSNZBHI-UHFFFAOYSA-N 399.389 -0.444 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778131717 ZQESKFTYMYHTBS-OHUAYANFSA-N 379.373 -0.468 5 20 GBBD O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)C1 1785403304 QOAINWRVILGTMX-MRXNPFEDSA-N 377.357 -0.260 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097247 FQTKEATZPPIDSU-LYOVBCGYSA-N 397.363 -0.254 5 20 GBBD Cn1nc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1=O 26110805 BTUMQLSVIXWMNE-UHFFFAOYSA-N 395.397 -0.066 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)N1CCOCC1 265328717 VEFDKFSDDLNERP-UHFFFAOYSA-N 394.431 -0.960 5 20 GBBD C[C@@H](O)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272961592 HRHODJPJTQMXKX-MDZLAQPJSA-N 387.414 -0.394 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H](CO)[C@@H]1CCOC1 281916024 VCRMDISXEQEWKU-MNOVXSKESA-N 377.353 -0.048 5 20 GBBD Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 283623434 WJNINFFODVHCMZ-UHFFFAOYSA-N 398.387 -0.274 5 20 GBBD CCNC(=O)NC(=O)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421034551 YQXYAEGZDXRZFF-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD CN(Cc1nnnn1C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 467272350 BIDNFNGKMDGSNN-UHFFFAOYSA-N 383.390 -0.555 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]12 490845535 GXRPWOMHHGVJFU-ZJUUUORDSA-N 391.340 -0.445 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C1 555538473 SJJUOHVLUSTVSM-QWHCGFSZSA-N 397.432 -0.055 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 592910543 AGJPVMSAXNRLEL-JSGCOSHPSA-N 394.384 -0.224 5 20 GBBD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 593592361 YOMHSRUKBVVRCA-GXSJLCMTSA-N 378.432 -0.014 5 20 GBBD COC(=O)c1nc(N2C[C@H](C)[C@H](O)C2)nc(N2C[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] 596178389 JBXGORRBKCJVTI-UKKRHICBSA-N 381.389 -0.195 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 603834906 KRRFRFUNUCXOME-UHFFFAOYSA-N 398.441 -0.156 5 20 GBBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCNC(=O)c1cnccn1 608807230 IJAYBMCAEUIWGA-UHFFFAOYSA-N 386.324 -0.161 5 20 GBBD O=C(O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 852958769 RYZZHYLROVZCKD-XCBNKYQSSA-N 393.278 -0.086 5 20 GBBD COCCC(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1576976140 BOTPCCHTMBQPFU-ZIAGYGMSSA-N 380.405 -0.174 5 20 GBBD CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006038 IPCGAGFGZYZEJE-MCYUEQNJSA-N 381.389 -0.584 5 20 GBBD CNC(=O)CN1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 41825144 GSAZERDEAKHLPK-UHFFFAOYSA-N 393.400 -0.132 5 20 GBBD CS(=O)(=O)N1CCC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 144847329 IUKGUURUJAPJMS-LBPRGKRZSA-N 384.414 -0.135 5 20 GBBD Cc1c(C(=O)NCC(=O)NCC(F)(F)F)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 265423122 RKGBYAMLZSIXET-UHFFFAOYSA-N 398.319 -0.041 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(CC(=O)Nc2nncs2)CC1 271252874 HWFBURUIVJHGPS-UHFFFAOYSA-N 392.401 -0.299 5 20 GBBD Cn1c(=O)c2c(ncn2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n(C)c1=O 272916715 HRMRKBSHXFIGIA-SNVBAGLBSA-N 375.341 -0.218 5 20 GBBD COC(=O)C[C@H]1COCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 366153241 BHGDFQSKTABXTN-JTQLQIEISA-N 387.370 -0.354 5 20 GBBD O=C(O)[C@H]1Cn2c(O)nnc2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 424393035 QQDKCYAHFGFSSX-LLVKDONJSA-N 397.369 -0.267 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 426665942 ZCMLIVKVOKLXLM-GXFFZTMASA-N 384.414 -0.057 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@H]21)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 478041289 MFSWFRGZXFPSHG-SGOHARFASA-N 397.409 -0.520 5 20 GBBD Cn1cc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(=O)n(C)c1=O 525352969 QKSLQZUIYZVRAM-UHFFFAOYSA-N 375.297 -0.461 5 20 GBBD COCCNS(=O)(=O)c1c[nH]c(C(=O)OCCn2cc([N+](=O)[O-])cn2)c1 764023452 CLQARQDQYNNQGC-UHFFFAOYSA-N 387.374 -0.099 5 20 GBBD CN(C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCNC1=O 1348383954 RCMPEIITQWUTEI-CQSZACIVSA-N 375.385 -0.410 5 20 GBBD CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401240 GJITYGRITNINED-NAWOPXAZSA-N 394.432 -0.106 5 20 GBBD NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1835551196 DKHFVNWGWIHKFL-QGZVFWFLSA-N 394.384 -0.671 5 20 GBBD Cn1nc(C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)cc1O 1841998901 FHLFLLNGSHZADZ-UHFFFAOYSA-N 389.372 -0.252 5 20 GBBD O=C(c1cc[nH]n1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823877 YSGDQZMXEJOGJO-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 298094843 RNINODJZLLPPBB-GFCCVEGCSA-N 378.341 -0.785 5 20 GBBD NC[C@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 423640270 GNFXFKINQIFFIJ-OAHLLOKOSA-N 389.412 -0.171 5 20 GBBD O=C(Cn1cnnc1O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 435832858 BANHRTCVHQBWMW-UHFFFAOYSA-N 396.385 -0.575 5 20 GBBD C[C@@H](O)CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 444386183 CWZDINSHNGEPDO-CYBMUJFWSA-N 379.417 -0.081 5 20 GBBD O=C1CCN(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C(=O)N1 577435821 UEYWUPWLNSVCKK-UHFFFAOYSA-N 389.368 -0.179 5 20 GBBD Cc1nc(CN2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC2)n[nH]1 596186953 YUQOUIJZDKWAEG-UHFFFAOYSA-N 381.418 -0.009 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(S(=O)(=O)N2CCOCC2)o1 610869356 CICQBAYQAMEFDX-UHFFFAOYSA-N 399.385 -0.165 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 612655273 BTDZOLAANQPNAG-SECBINFHSA-N 378.432 -0.240 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N[C@H](CO)C(=O)O)cc2[N+](=O)[O-])CC1 736133972 ICKRHRWMUIWRHD-GFCCVEGCSA-N 380.357 -0.561 5 20 GBBD COC(=O)C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 778306637 YLJBUTUPOXHEAG-VIFPVBQESA-N 388.354 -0.063 5 20 GBBD COCC1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 826153191 FAWRNGPOTDVPCP-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD O=C1N[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 858137883 YVCDBORLOHJOFK-CYBMUJFWSA-N 398.397 -0.074 5 20 GBBD COC(=O)N1CC(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 1117655103 VHOYHNQFZGRKMG-UHFFFAOYSA-N 380.361 -0.478 5 20 GBBD C[C@@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215824 QDSOVDDTEMBBTQ-JURCDPSOSA-N 394.432 -0.634 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCC1)C2)c1nc[nH]c1[N+](=O)[O-] 1796404193 JYXNYNMKPLRZHT-ZSBIGDGJSA-N 377.357 -0.175 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842210795 CQWXEZBJGPZQDK-UHFFFAOYSA-N 388.340 -0.152 5 20 GBBD CN1C[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 267673830 PGKUPEBOKSDONG-SNVBAGLBSA-N 385.402 -0.597 5 20 GBBD O=C1CN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CCN1 272345733 PRSKMVPQGMFVPF-UHFFFAOYSA-N 391.428 -0.017 5 20 GBBD CN(C[C@H](O)CNc1ncc([N+](=O)[O-])c(N)n1)c1ncc([N+](=O)[O-])c(N)n1 292667948 HOSZIEYQZHHWHC-ZCFIWIBFSA-N 380.325 -0.843 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CN2CCCN1CC2 360826880 BIEDDYCYFMPMLK-CQSZACIVSA-N 397.457 -0.621 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H](N1CCNCC1)C(F)(F)F 417910675 LOSINNVJWVEUAH-NSHDSACASA-N 379.343 -0.073 5 20 GBBD O=C(NCCN1CCNCC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 419895929 XJNBYEVZZJRZEL-UHFFFAOYSA-N 390.444 -0.735 5 20 GBBD C[C@H](O)CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CO 443798681 LCPNQTBQDHHIOB-RYUDHWBXSA-N 389.430 -0.147 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](CO)O1 459845263 IJBLPAHOYLTQHA-KBPBESRZSA-N 392.412 -0.148 5 20 GBBD CNS(=O)(=O)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 498565894 FWJKMTXNBGILBR-UHFFFAOYSA-N 376.416 -0.510 5 20 GBBD CC(=O)NCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H](C)C(=O)OC(C)(C)C 511796759 VVWUYASUWMCYEV-JTQLQIEISA-N 384.393 -0.119 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 534869882 VMDAOWPFHNVTLJ-HNNXBMFYSA-N 395.460 -0.085 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[C@@H](CO)O1 554473445 YLVBEIRHQRRTSO-OLZOCXBDSA-N 387.414 -0.081 5 20 GBBD Cc1[nH]c(=NCC[C@@]2(O)CCOC2)[nH]c(=NCC[C@]2(O)CCOC2)c1[N+](=O)[O-] 593494733 ICLGXOMGRLDOCX-DLBZAZTESA-N 397.432 -0.556 5 20 GBBD CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1=O 598294282 QOMONJXNNKETGP-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD CC(=O)NCC(=O)N1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 599006492 LDCNBKCSXCOBHI-UHFFFAOYSA-N 381.393 -0.829 5 20 GBBD CNC(=O)NC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCO1 599385083 YAEWMTZQFPAUMB-NSHDSACASA-N 388.402 -0.078 5 20 GBBD CN(CCS(C)(=O)=O)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 728023650 JLECXWYAUNSXJZ-UHFFFAOYSA-N 393.443 -0.234 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2cccc(-n3cnnn3)c2)n1 755747538 SUTZQVUYBRMVCY-UHFFFAOYSA-N 392.357 -0.094 5 20 GBBD O=C(Cn1ncnn1)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1606625179 FLEGBMKKLGPDFP-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1835544775 WEKCQBMFWKXLDB-DUXHTMCSSA-N 394.384 -0.384 5 20 GBBD C[C@@H](C(=O)NC(N)=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 15486467 OSWRQUHHYQZHTE-JTQLQIEISA-N 399.429 -0.296 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 264048004 LMFYAQKIKAAWQU-WCQYABFASA-N 385.398 -0.472 5 20 GBBD NC(=O)[C@@H]1CCCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299712755 JBWAROBVEMSCGJ-LBPRGKRZSA-N 399.429 -0.089 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 372673607 JGGNIBKRXOHSEO-JTQLQIEISA-N 386.386 -0.179 5 20 GBBD COCC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)OC 428517891 WPRHOLKBOLFGFJ-NSHDSACASA-N 389.386 -0.141 5 20 GBBD C[C@@H]1OCC[C@]1(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 447748022 VJLNNHPXKAQTRK-NHYWBVRUSA-N 387.414 -0.081 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NC[C@@](C)(O)CO)c([N+](=O)[O-])c1 480857697 OSQLDJJQXHZIMV-CQSZACIVSA-N 376.435 -0.410 5 20 GBBD Cn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c(=O)n(C)c1=O 487935170 YTQUXJDMOLSWOE-UHFFFAOYSA-N 385.336 -0.228 5 20 GBBD CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 512763177 IWJWQELBDZKZLX-MRVPVSSYSA-N 397.456 -0.420 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1COCCO1 522573759 BOQDCOPCUPVQFY-NSHDSACASA-N 388.402 -0.412 5 20 GBBD COC(=O)CNC(=O)CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 553509370 VVDRUNHKZMIAKX-UHFFFAOYSA-N 376.329 -0.497 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCO[C@H](c2nn[nH]n2)C1 732089348 IBKSJQIEBYYFKP-ZDUSSCGKSA-N 392.328 -0.092 5 20 GBBD NC(=O)CS(=O)(=O)c1ccc(C(=O)OCCn2cc([N+](=O)[O-])cn2)cc1 748132107 DYUHOAUJMTXAMT-UHFFFAOYSA-N 382.354 -0.093 5 20 GBBD C[C@H](O)c1cn(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 756319775 NAASZYBEIYRDEB-JTQLQIEISA-N 383.386 -0.170 5 20 GBBD O=C(O)C(=O)N1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 1605886014 XXBUJFAQCGGFQU-CYBMUJFWSA-N 376.325 -0.157 5 20 GBBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1781983419 MKOUJDCIGFMFAP-QGZVFWFLSA-N 397.359 -0.203 5 20 GBBD NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783149680 OTQKYTXUTFHAQW-OAHLLOKOSA-N 380.361 -0.973 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21)C(O)O 1783867483 ABHXOZBOPTUVSW-HERUPUMHSA-N 397.359 -0.362 5 20 GBBD CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1784407175 LBFVFVLWBLHTFO-GVXVVHGQSA-N 394.384 -0.083 5 20 GBBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)ccc1[N+](=O)[O-] 1792801660 LREFWUBHQBLPRR-GNXNZQSNSA-N 395.368 -0.883 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)O)C3)n1 1796719073 CTBRPLMZNAJMSZ-DYNIEEOBSA-N 394.384 -0.418 5 20 GBBD C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1800751673 SZKDUIGFNSDWCV-BTABJRDXSA-N 379.369 -0.116 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808364741 QUWDHSWUIPXIBB-CMPLNLGQSA-N 390.356 -0.657 5 20 GBBD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)C(O)O)C2)c([N+](=O)[O-])c1 1841236358 FPDUJYCKTVXWQO-UHFFFAOYSA-N 393.352 -0.491 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841236438 LLLVBQWTMOLRIZ-UHFFFAOYSA-N 378.385 -0.212 5 20 GBBD O=C(CCN1CCOCC1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389190 XSAHOZAPLNSBBE-UHFFFAOYSA-N 392.416 -0.143 5 20 GBBD Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)ncc1[N+](=O)[O-] 1843517903 OYPJYTVWIHKVSB-JSGCOSHPSA-N 389.412 -0.162 5 20 GBBD NS(=O)(=O)c1ccc(NCC(=O)OCC(=O)N2CCCC2)c([N+](=O)[O-])c1 19469408 PZBXQEMGPZWRAJ-UHFFFAOYSA-N 386.386 -0.180 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)N2CCOCC2)c1 66872700 QXDIHJIZSNFWMD-UHFFFAOYSA-N 394.431 -0.960 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 265254805 BWMKSGVSTSLTQY-UHFFFAOYSA-N 377.361 -0.206 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 275287041 NWPCRMSRCKMDJH-GFCCVEGCSA-N 390.345 -0.089 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] 275296969 PNKHXTVBDUAVFJ-CYBMUJFWSA-N 385.398 -0.170 5 20 GBBD COC(=O)c1cn(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nn1 283944500 AALGKTQAIJSWIN-UHFFFAOYSA-N 392.328 -0.264 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 299297237 CJEKPKJGTOZJCF-UHFFFAOYSA-N 376.329 -0.334 5 20 GBBD COC[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 363616572 FOGXRZUQHBKZGY-LOWVWBTDSA-N 387.414 -0.130 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)C1=O 422227106 JBXRUGFBHKZWNN-CYBMUJFWSA-N 399.429 -0.255 5 20 GBBD CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 422332337 MWDGPLZPUYWRPY-GFCCVEGCSA-N 390.400 -0.625 5 20 GBBD C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 447769557 WIIYEJCELXRBCS-JTQLQIEISA-N 393.443 -0.235 5 20 GBBD C[C@@](O)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)CN1CCOCC1 467492987 FGLSBEJWPTZTIT-QGZVFWFLSA-N 390.400 -0.012 5 20 GBBD CNc1nccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1[N+](=O)[O-] 577640987 SJKDLZGUURMDNF-XRRVDJEJSA-N 385.380 0.568 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCCC1=O 578991331 GPFPWZZZXPMDEC-UHFFFAOYSA-N 399.429 -0.205 5 20 GBBD COC(=O)CN(CC(=O)O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 737614918 HNHMUUJBPZZFCJ-INIZCTEOSA-N 394.340 -0.121 5 20 GBBD Cc1nnc(CN2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)n1C 822510626 SDCOEMABFGTPBM-UHFFFAOYSA-N 385.392 -0.071 5 20 GBBD O=C(NCCn1cnnn1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 845803199 SQXPGTRDFYDWRM-ZDUSSCGKSA-N 395.401 -0.449 5 20 GBBD CNS(=O)(=O)CCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 1322664488 DPEGYUMENBDTRI-UHFFFAOYSA-N 384.414 -0.249 5 20 GBBD NC(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 268470506 XVRBCYFUOPOAKW-ZOBORPQBSA-N 382.373 -0.679 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@]1(C(=O)OC)CCOC1 273452739 CUNSMUOFSPMMEC-AWEZNQCLSA-N 388.354 -0.008 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 287519664 VKVICRHPTZJFTQ-UHFFFAOYSA-N 382.395 -0.496 5 20 GBBD COC(=O)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)OC 298082959 DEDUVDIKENCFJX-SECBINFHSA-N 388.354 -0.167 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 411637266 FSDPIXOHLGBHHZ-UHFFFAOYSA-N 393.356 -0.912 5 20 GBBD COc1cc(OCC(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)ccc1[N+](=O)[O-] 435702351 YWKPYCXJDBVZIC-CHWSQXEVSA-N 383.357 -0.430 5 20 GBBD CC[C@H](CNS(C)(=O)=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 456062133 NXOFDQRZJRNRQK-SECBINFHSA-N 398.397 -0.365 5 20 GBBD NC(=O)c1ccc(SCC(=O)NCCN2C(=O)CNC2=O)c([N+](=O)[O-])c1 499941176 AJMZGYCFYICNRT-UHFFFAOYSA-N 381.370 -0.546 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 517881982 BHIDQEDHRLVVQO-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD CN=c1[nH]ccc(C(=O)N=c2ccn(CCN3CCOCC3)[nH]2)c1[N+](=O)[O-] 563375009 CGMPQGMBDRXAEV-UHFFFAOYSA-N 375.389 -0.344 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CCn3nncc3C2)c([N+](=O)[O-])c1 566688902 KZABPZSMVBPNAN-UHFFFAOYSA-N 395.401 -0.322 5 20 GBBD C[S@](=O)CCN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 771147248 PLZAZJMHJAYKCW-QHCPKHFHSA-N 376.460 -0.257 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)C1 1261487610 XWYOHQCGKSKTHY-UKRRQHHQSA-N 393.396 -0.022 5 20 GBBD CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C[C@@H](CO)O1 1603787425 LRPOWIBINAVDGO-VIFPVBQESA-N 398.401 -0.065 5 20 GBBD CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794275391 COQQFPPIWRGSDH-ZSBIGDGJSA-N 399.429 -0.526 5 20 GBBD CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010980 NQHSFYVUFSZAAK-NOHGZBONSA-N 380.405 -0.481 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801676096 CFSLZWALWNCCMK-DEQVHRJGSA-N 392.416 -0.046 5 20 GBBD CN1N=C(C(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CCC1=O 1841863719 BPLPCBRYRPUMRY-UHFFFAOYSA-N 389.372 -0.257 5 20 GBBD O=C1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)CN1 1843387973 HRZQCWVSMKAYQV-JTQLQIEISA-N 376.373 -0.339 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 265342352 PYMPNFYMOXRKNB-JTQLQIEISA-N 380.386 -0.061 5 20 GBBD C[C@@H]1C(=O)NCCN1c1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] 271683935 ZSPDYWHWXGTFPD-LLVKDONJSA-N 385.446 -0.241 5 20 GBBD O=C(CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 272200220 GIPXIAHZODOPSL-SNVBAGLBSA-N 399.381 -0.253 5 20 GBBD CCn1cc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c([N+](=O)[O-])n1 443421627 YSUAAPIITIMUNP-UHFFFAOYSA-N 395.401 -0.057 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2nn[nH]c2C1 469404710 XUTCFABGPWHKOL-UHFFFAOYSA-N 380.386 -0.034 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 569589158 IKDRHYWUTHWIOI-GFCCVEGCSA-N 392.416 -0.423 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC2=C3OCCN=C3NC=N2)cc1 591140995 LKRKPOCQKUCZBK-UHFFFAOYSA-N 380.386 -0.308 5 20 GBBD Cn1cnc(CCCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 592827353 KJHFGUNYVKPXFS-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD CNS(=O)(=O)CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 600665982 VUXZPFVIGPPRDN-SNVBAGLBSA-N 388.402 -0.152 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NOCCO)cc1[N+](=O)[O-] 843857803 BPNJHCWJNOKGSF-UHFFFAOYSA-N 376.391 -0.267 5 20 GBBD O=[N+]([O-])c1cccnc1S(=O)(=O)NCCS(=O)(=O)C1CCOCC1 849396613 KHDWMYNUNYSIHB-UHFFFAOYSA-N 379.416 -0.138 5 20 GBBD Cc1cc(CN2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)on1 1343184949 OZXYHLSURNAVTE-UHFFFAOYSA-N 391.388 -0.452 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCCS1(=O)=O 60924812 AJEKBXZGHAZWHJ-UHFFFAOYSA-N 379.416 -0.083 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)N2CCCC2)c1 264196205 OBGFSVYUMCNYDW-UHFFFAOYSA-N 378.432 -0.197 5 20 GBBD CCC[C@@H](O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 414017164 KKCDCWXGVUNYGC-ZIAGYGMSSA-N 389.430 -0.099 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c([N+](=O)[O-])n1 435806867 GYSHKBKPILRHCJ-UHFFFAOYSA-N 386.434 -0.604 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCc1nc(=O)o[nH]1 447636746 LIDCLFDBCXADNN-UHFFFAOYSA-N 385.358 -0.702 5 20 GBBD CO[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@H]1O 450818066 HJULHNGQYPKMLK-HUUCEWRRSA-N 387.414 -0.188 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 471034715 GUPCQGDGIIUPHT-UHFFFAOYSA-N 385.446 -0.252 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N[C@H]1CCC(=O)NC1=O 492573395 PREMDJNFPHSTDJ-DTWKUNHWSA-N 398.397 -0.039 5 20 GBBD NC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 516361820 PZHPLEQIBKJNRJ-UHFFFAOYSA-N 384.414 -0.013 5 20 GBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(CCS(N)(=O)=O)CC2)s1 543975431 OPJBSPLQLSKTJM-UHFFFAOYSA-N 398.488 -0.530 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)cc1[N+](=O)[O-] 592365909 HYBDYCMMXYMCML-UHFFFAOYSA-N 386.386 -0.909 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 594827166 TXWARSVTUHQPDO-KOLCDFICSA-N 380.400 -0.306 5 20 GBBD CNS(=O)(=O)CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 598623601 YZUKHQQLUPOWNA-UHFFFAOYSA-N 380.448 -0.646 5 20 GBBD NC(=O)c1cn(CCCCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])nn1 598629357 IMFGQSCQDYUCOJ-UHFFFAOYSA-N 391.392 -0.196 5 20 GBBD CN1C[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC1=O 609995435 BVQCHADZEKWKHL-SNVBAGLBSA-N 399.429 -0.219 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](O)C1 611653744 PCMVNJBYVHKJNZ-GVXVVHGQSA-N 385.398 -0.688 5 20 GBBD CCOC(=O)[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 611861364 HUGQIVBARZTNQD-LBPRGKRZSA-N 389.386 -0.745 5 20 GBBD CCn1cc([N+](=O)[O-])c(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n1 755591824 MQAZKOLCPRMIIL-UHFFFAOYSA-N 377.317 -0.558 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NCCN2CCNCC2)cc1[N+](=O)[O-] 844226758 MGBLROYRVNQZOX-UHFFFAOYSA-N 387.418 -0.043 5 20 GBBD C[S@@](=O)CCN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 856731062 JPRGBUQPCRJUQK-AREMUKBSSA-N 384.462 -0.278 5 20 GBBD CC1(C2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)OCCO1 1117605114 VEMLONFIJFGWQN-UHFFFAOYSA-N 381.389 -0.091 5 20 GBBD C[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1321890001 BYJHAKMRYIRWCV-NSHDSACASA-N 384.414 -0.142 5 20 GBBD O=[N+]([O-])c1ccc(N2CCS(=O)(=O)CC2)nc1N1CCS(=O)(=O)CC1 1326242250 RHPGZBWMTLCLPD-UHFFFAOYSA-N 390.443 -0.541 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1326646817 VCSXRYWNPUHSKX-LBPRGKRZSA-N 384.414 -0.596 5 20 GBBD CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1346301202 AENIFKXLLFOGHF-RYUDHWBXSA-N 380.405 -0.329 5 20 GBBD C[C@H](O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 1589997310 WNJDBGVWHKVIJD-WCBMZHEXSA-N 384.374 -0.455 5 20 GBBD CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@@H](C(=O)O)C1 1598604109 BUWCCJHWRBPOPH-JTQLQIEISA-N 390.352 -0.334 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](O)CN1 1794276918 LKUHPODLZPFFSM-XXUMUBMXSA-N 392.416 -0.848 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cocn1 1794936076 XEWBFUJQXFMIJL-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD Nc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] 264197885 PTHCPIVKRRLSBM-GXTWGEPZSA-N 384.414 -0.595 5 20 GBBD C[C@@H](CS(C)(=O)=O)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280888480 GNMXKAMIROIHDW-VIFPVBQESA-N 379.416 -0.578 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 282575454 ASRMTQOEIBEBBJ-UHFFFAOYSA-N 379.348 -0.121 5 20 GBBD COc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] 299627842 QFNWIFSLOZIDQX-TZMCWYRMSA-N 399.425 -0.169 5 20 GBBD O=C(CN1CCCC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 331667407 VNERROHFYCQKPH-UHFFFAOYSA-N 377.401 -0.477 5 20 GBBD CO[C@@H]1C[C@@H]2C(=O)N(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C(=O)N2C1 349313321 CGXNFYVIJYVACX-DGCLKSJQSA-N 398.397 -0.075 5 20 GBBD O=C(NCCCCO)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 427830112 ZFAXQALMCOODEN-AAEUAGOBSA-N 387.414 -0.393 5 20 GBBD CN(CC(=O)NC[C@@](C)(O)C(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 471455950 VNNRFTVLYDEVEU-CYBMUJFWSA-N 375.359 -0.833 5 20 GBBD CN1CCOC[C@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 485942251 CVAUMSLKIGICCJ-AWEZNQCLSA-N 386.430 -0.143 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCNC(=O)C1 542237670 BMMJMKKMEXONSZ-UHFFFAOYSA-N 386.386 -0.909 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@H](CO)[C@H](O)C1 545281102 JAEDKSZPIFNKFN-BXUZGUMPSA-N 387.414 -0.535 5 20 GBBD COc1cncc(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 567903765 AEKFJQAVDRGGNR-UHFFFAOYSA-N 375.345 0.392 5 20 GBBD C[C@@]1(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)NC(=O)NC1=O 593561153 KYHQYQKUPQMRQZ-AWEZNQCLSA-N 383.386 -0.011 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc([N+](=O)[O-])c1N 598906366 UQICGLJMMUNCAM-KWQFWETISA-N 391.340 -0.515 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599247385 BKTZPGGDBACTCR-OQPBUACISA-N 386.390 -0.673 5 20 GBBD C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)N1c1cnn(C)c1 599253823 OGFPCZHSONGVQL-SCZZXKLOSA-N 383.390 -0.466 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1COCCN1 599910234 NYHGFUWCESWMMN-NSHDSACASA-N 387.418 -0.839 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCO1 600015857 KLQDJEDPUMNHRA-LLVKDONJSA-N 395.372 -0.302 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1CS(N)(=O)=O 609619723 DYGDMQABFCVXIQ-GWCFXTLKSA-N 384.414 -0.007 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 755276443 ONCJCMAZWKMUSI-NSHDSACASA-N 383.386 -0.008 5 20 GBBD CN1C(=O)c2ccc(S(=O)(=O)NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2C1=O 785956724 PUAUOVYREJGVCQ-UHFFFAOYSA-N 393.337 -0.478 5 20 GBBD C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1nncn1C 824640717 NSFYATOHCKAZES-ZETCQYMHSA-N 379.362 -0.057 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)n1 826362929 OOHZOVAERMVCRG-UHFFFAOYSA-N 392.357 -0.232 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC(=O)N1C 839211661 QHXLCHCKVLOBDS-ZDUSSCGKSA-N 389.412 -0.068 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1340874998 KEQRPJGVMYSMCU-MRXNPFEDSA-N 394.428 -0.595 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccnc1)C(O)O 1802921836 BAXVLEBYFFAEJT-BXUZGUMPSA-N 389.368 -0.052 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843190554 KGFJFFCGBADJOU-UHFFFAOYSA-N 387.356 -0.608 5 20 GBBD COc1ccc(S(=O)(=O)NCCOCCS(C)(=O)=O)c([N+](=O)[O-])c1 266229171 UDIOPKPIPPETDA-UHFFFAOYSA-N 382.416 -0.057 5 20 GBBD O=C(CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)NCCO 268352177 VBYMAVYJZUWVIC-UHFFFAOYSA-N 388.402 -0.864 5 20 GBBD COC[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 279906095 GMCMRVFWMSAKDT-RISCZKNCSA-N 387.414 -0.129 5 20 GBBD CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 283619871 APNDAXOQHULNRZ-UHFFFAOYSA-N 389.372 -0.035 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 436979673 BIHFFHCHVFFXPR-UHFFFAOYSA-N 382.358 -0.435 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccc3nnnn3n2)CC1 514486882 ODZOTEMETKMWNE-UHFFFAOYSA-N 390.385 -0.062 5 20 GBBD O=C(C(=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCOCC1 549343187 BCPCMHYBWNDKAD-UHFFFAOYSA-N 378.385 -0.197 5 20 GBBD O=[N+]([O-])c1ncccc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 747225931 JZDPZDIEBQIKAO-NSHDSACASA-N 390.443 -0.371 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 823229520 WFKOEZGDPSSKRQ-UHFFFAOYSA-N 389.307 -0.135 5 20 GBBD O=C1NC[C@@H]2CN(c3c(C(=O)O)cc([N+](=O)[O-])cc3[N+](=O)[O-])CCN2C1=O 833358425 SIVQTERKEGNLPR-MRVPVSSYSA-N 379.285 -0.652 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)c1cncc(Br)c1 920796695 FFKXBRCZNJKAAO-UHFFFAOYSA-N 391.163 -0.151 5 20 GBBD CNC(=O)C1(C(=O)NCCN(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1579387156 VGFHFRFLHQGYHN-UHFFFAOYSA-N 388.388 -0.147 5 20 GBBD COC[C@@]1(C(=O)O)CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CCO1 1604550983 MYTCJBUTUDNDBB-QGZVFWFLSA-N 395.368 -0.038 5 20 GBBD NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780420758 VQUNLZDKHFTOQT-OAHLLOKOSA-N 380.361 -0.965 5 20 GBBD CCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1801496694 QSVVXKQQBIYJBD-PTEHBNRSSA-N 381.389 -0.052 5 20 GBBD CC(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1834727808 GVJSCIHRDZDXPO-QGZVFWFLSA-N 395.416 -0.096 5 20 GBBD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1835551193 DKHFVNWGWIHKFL-KRWDZBQOSA-N 394.384 -0.671 5 20 GBBD CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836507921 BEJRLXASOGEXJW-BDJLRTHQSA-N 397.388 -0.577 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 277745556 ITUPTXVKPNLJQW-UONOGXRCSA-N 399.425 -0.481 5 20 GBBD Cc1cc(C(=O)NCC(=O)NCCC(=O)NS(C)(=O)=O)ccc1[N+](=O)[O-] 277821788 YTLYCGDWOVAJAY-UHFFFAOYSA-N 386.386 -0.785 5 20 GBBD CN1CC[C@H](NC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1=O 547441127 JMAZEPMCWYAVSH-LBPRGKRZSA-N 399.429 -0.060 5 20 GBBD CNc1nccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1[N+](=O)[O-] 578335054 ALIPVIXDHAZCTM-ZDUSSCGKSA-N 376.417 0.410 5 20 GBBD O=C(Nc1n[nH]c(N2CCNCC2)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 592303308 TYVQMKNXTAIUGZ-UHFFFAOYSA-N 383.372 0.561 5 20 GBBD N[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[C@H]1F 595992334 XLDJIKVZSBDPIF-GHMZBOCLSA-N 389.409 -0.058 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC(=O)N1CCCC1 609742248 NSLVSGSNGQEZIF-UHFFFAOYSA-N 399.429 -0.205 5 20 GBBD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCCn1cnc([N+](=O)[O-])n1 749077673 XSVHZEHGMNGLGP-LSKIRQOJSA-N 379.329 -0.718 5 20 GBBD C[S@@](=O)CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1117322051 AEHMDZSOCQEJFZ-HHHXNRCGSA-N 396.425 -0.626 5 20 GBBD CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](CO)Cc1ccccc1 1118705463 SWIYTKPIGPGVCY-AWEZNQCLSA-N 375.385 -0.031 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cnc(O)[nH]1 1798180589 HTRAWSDWMFAZJN-DIYOJNKTSA-N 391.344 -0.736 5 20 GBBD CN(CC(=O)NCCN1CCNCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 262514506 RCQRXJVLGNMHHB-UHFFFAOYSA-N 385.446 -0.763 5 20 GBBD NC(=O)NC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 270881029 AHUBIFKHPSHAQO-UHFFFAOYSA-N 397.413 -0.371 5 20 GBBD NC(=O)N1CCN2C(=O)N(CCC(=O)Nc3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 410045744 AQXLWNUEXKUJIU-GFCCVEGCSA-N 390.356 -0.050 5 20 GBBD O=C(C(=O)N1C[C@@H]2CNCC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423591660 KPCDBSNPWWBNGM-KBPBESRZSA-N 388.428 -0.294 5 20 GBBD O=C(NC[C@@H]1CNCCO1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 423993787 RFWKMZLMYYQRMR-DZGCQCFKSA-N 398.441 -0.148 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 431578344 LRGPJQGRHKRFBW-VIFPVBQESA-N 383.386 -0.600 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 445064587 FLNPHFHRBDPVID-ZETCQYMHSA-N 384.413 -0.383 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 518941273 OFSWHTXEPVWOHO-CYBMUJFWSA-N 380.405 -0.817 5 20 GBBD C[C@](O)(CO)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 565077689 QKVMBUGMJQRJJO-UKRRQHHQSA-N 387.414 -0.393 5 20 GBBD CCOC(=O)C[C@@H](CO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 597683285 VXFJFYRYBGHQAP-VIFPVBQESA-N 379.325 -0.379 5 20 GBBD COC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(N)=O 758304134 XFHNNZAJMFRJSS-LBPRGKRZSA-N 388.402 -0.472 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCN(c2ccc3nncn3n2)CC1 823620967 UXWKMPMZYZILRA-UHFFFAOYSA-N 394.359 -0.066 5 20 GBBD CC(=O)N[C@@H](CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)C(N)=O 1318982963 OOIMDMFKHMTCFX-HNNXBMFYSA-N 377.401 -0.381 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 1328148408 NNLLJDOHBSOMCB-CYBMUJFWSA-N 380.405 -0.723 5 20 GBBD CS(=O)(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 41652875 UPVMPBLAJSOLJH-GFCCVEGCSA-N 384.414 -0.135 5 20 GBBD C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)CC1 67277475 PYQMGMMLHASHTO-NSHDSACASA-N 385.398 -0.265 5 20 GBBD Cn1ncc2c(N3CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CC3)ncnc21 263675543 NILDNMYQMNTPIQ-UHFFFAOYSA-N 398.383 -0.218 5 20 GBBD O=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1)Nc1nncs1 265672355 DXRZJPOTUZGDIP-UHFFFAOYSA-N 393.385 -0.057 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 269287567 CHBCGBJNBPAAFR-XJKSGUPXSA-N 392.324 -0.125 5 20 GBBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCN1CCNC(=O)C1 272680696 MWZBBAHCEQTTQN-UHFFFAOYSA-N 391.384 -0.169 5 20 GBBD Cn1c(=O)c2c(ncn2CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(C)c1=O 272891190 AMVMTJXBTBVZJX-UHFFFAOYSA-N 393.381 -0.184 5 20 GBBD COCCNC(=O)Cn1cc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cn1 273483047 NDCQLBIDWHBZLV-UHFFFAOYSA-N 398.401 -0.055 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 291567028 SGMKZLDQOLFMKL-UHFFFAOYSA-N 392.324 -0.932 5 20 GBBD COc1cc(CCN2C(=O)[C@@H]3CNC(=O)CN3C2=O)c([N+](=O)[O-])cc1OC 348503334 ZTEYDPSPYNVSPS-NSHDSACASA-N 378.341 -0.083 5 20 GBBD O=C(NC1[C@@H]2CNC[C@@H]12)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 418682050 ZFVOJVZCYKMKFT-VXGBXAGGSA-N 395.441 -0.172 5 20 GBBD CN1C[C@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C(=O)N1 476166822 RZNWILCPZAGXPL-VIFPVBQESA-N 377.386 -0.051 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 541058971 BGMRIPRBLVXXMC-UHFFFAOYSA-N 396.385 -0.154 5 20 GBBD CC(=O)N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 553514550 NCAMHXAZNVUQQV-UHFFFAOYSA-N 386.386 -0.688 5 20 GBBD CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])CCO1 570574598 QLXGZHFXILKUGD-NSHDSACASA-N 387.370 -0.181 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](CO)O1 574046569 PWXNXNIDNDHUDZ-GXTWGEPZSA-N 393.400 -0.753 5 20 GBBD CN(CC(=O)N1CC(N2CC[C@@H](O)C2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 593853866 GTZFVHKNCXPVKA-CQSZACIVSA-N 398.441 -0.507 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 609517927 HHGCPPWPJYJWGW-JTQLQIEISA-N 378.341 -0.210 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)C[C@H]1CCOC1 762138996 NGLSXYWATZPSNF-JTQLQIEISA-N 399.381 -0.197 5 20 GBBD CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@@H]21 821628409 HXJOOXNTYJBIDG-WDEREUQCSA-N 395.401 -0.522 5 20 GBBD CN1CC[C@@H](C(=O)NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])S1(=O)=O 850885418 FAJSMMXVACQJDN-JTQLQIEISA-N 381.363 -0.427 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCO1 862632826 FBDFWFVPMDOCPT-LBPRGKRZSA-N 380.357 -0.058 5 20 GBBD COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1320804276 HLXPKBMFYVSVGS-MNOVXSKESA-N 381.341 -0.290 5 20 GBBD C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356252 OVFINJYRKJUVKF-NJBDSQKTSA-N 380.357 -0.475 5 20 GBBD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 1798011109 PNTCHKWUFKEGJH-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD CC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1841085422 QWWOQHXHUSALMR-CQSZACIVSA-N 392.416 -0.091 5 20 GBBD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1)n1cnnn1 1844413096 VRCDUIGLJHCJHM-VIFPVBQESA-N 375.349 -0.617 5 20 GBBD COC(=O)[C@]1(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCOC1 267979527 FNZZYEZUBLVNCC-INIZCTEOSA-N 377.309 -0.361 5 20 GBBD CNC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 270512530 RDEFAGCIEMZTIZ-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD COC(=O)c1cn(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)nn1 284510065 NXOSMUYMVGRCQJ-UHFFFAOYSA-N 376.329 -0.481 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCC1(O)CCOCC1 286145945 NVVMZQJZOYNXPD-UHFFFAOYSA-N 387.414 -0.079 5 20 GBBD CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 468940079 LVLSVDGJUMHYGH-AWEZNQCLSA-N 390.370 -0.026 5 20 GBBD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 489918239 ZYPGBMXUOSREJV-LBPRGKRZSA-N 379.421 -0.214 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 590986076 PSOGHIAAFBONAS-GFCCVEGCSA-N 390.400 -0.625 5 20 GBBD CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593584646 AIMDTESKEMOWLS-UHFFFAOYSA-N 379.420 -0.803 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CCO1 600230174 PHYLNEOHNRHPEH-FZMZJTMJSA-N 393.400 -0.131 5 20 GBBD Cc1cc(=O)n2[nH]c(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)nc2n1 608800624 PZBFENCSVKSMSI-UHFFFAOYSA-N 399.323 -0.002 5 20 GBBD CCS(=O)(=O)NCCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 731687746 FNCZQLPZDVDHQN-UHFFFAOYSA-N 385.354 -0.327 5 20 GBBD Cn1c(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)c2n(c1=O)CCCC2 835208037 QMYSLSULXMLIFK-UHFFFAOYSA-N 381.370 -0.055 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1COCCN1CC(F)F 847894221 HYUVDJHQAJLIFT-VIFPVBQESA-N 380.329 -0.239 5 20 GBBD COC(=O)N(C)CCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 850658736 GEQCTRLIWIWKCZ-UHFFFAOYSA-N 382.377 -0.231 5 20 GBBD NC[C@H]1CC(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)=NO1 852802489 KTEGKJWYYQSSRM-GFCCVEGCSA-N 397.413 -0.469 5 20 GBBD O=C(NN1CCS(=O)(=O)CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 862735453 DBNBNFSBEAUXMT-SNVBAGLBSA-N 386.386 -0.446 5 20 GBBD CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1321512908 QLTKWTCKSDNFSI-CYBMUJFWSA-N 398.441 -0.001 5 20 GBBD COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 1321772816 JXTOVPQTAVGPNP-LLVKDONJSA-N 377.357 -0.544 5 20 GBBD CS(=O)(=O)CCN1CCC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1325840967 RMQXIQYRGOVXKJ-AWEZNQCLSA-N 375.451 -0.749 5 20 GBBD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)c([N+](=O)[O-])c1 1799401598 XFDJKYYTPMSWAA-IVWMJMPLSA-N 392.412 -0.306 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])[nH]1 1811617734 ZJKQYJJVBRUEBL-RISCZKNCSA-N 389.368 -0.052 5 20 GBBD CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844158422 RFQZBGZECQPKNC-LLVKDONJSA-N 396.360 -0.801 5 20 GBBD C=CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1844368876 DLXKYCCAQPTVCN-GFCCVEGCSA-N 390.400 -0.315 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ccc([N+](=O)[O-])c3nonc13)C2 276358843 VLHRJNCCMYVBCH-UHFFFAOYSA-N 388.344 -0.402 5 20 GBBD Cc1c(C(=O)NCCCS(C)(=O)=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 325501016 FSCVDWNXTLOSIW-UHFFFAOYSA-N 379.416 -0.285 5 20 GBBD COC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 516876748 GQJZMMJNNBWYCL-VIFPVBQESA-N 382.329 -0.802 5 20 GBBD COCCN(C)S(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 544673643 HTUVGLKONIPJIP-UHFFFAOYSA-N 381.432 -0.219 5 20 GBBD CN(CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 551719117 RBNFITLCBVLKDR-UHFFFAOYSA-N 376.417 -0.151 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 572817670 UNCUSDDMAIRELX-UHFFFAOYSA-N 375.407 -0.331 5 20 GBBD C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]1CO 577705833 NIIBUDLEYFDFHQ-TZMCWYRMSA-N 377.401 -0.132 5 20 GBBD CN1C(=O)C[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 594355441 CGWACLDOUBWMBH-NSHDSACASA-N 384.370 -0.863 5 20 GBBD C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCN1S(C)(=O)=O 596479372 RUDWUTKDWOLFLA-SECBINFHSA-N 378.432 -0.288 5 20 GBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCN1CCS(=O)(=O)CC1 598894265 KSGIECWOINZOKE-UHFFFAOYSA-N 399.429 -0.437 5 20 GBBD COC(=O)/C=C1/SCC(=O)N1CCCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 745337844 LUUQDKDSODBJDR-WUXMJOGZSA-N 396.381 -0.165 5 20 GBBD O=C(O)C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 833215902 DMIYLPSJUPFSTN-VIFPVBQESA-N 377.309 -0.107 5 20 GBBD C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 842571965 ZYHIZDWDVYJLQF-SSDOTTSWSA-N 386.342 -0.331 5 20 GBBD CN1CC[C@@H](C(=O)NS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)S1(=O)=O 842692508 KEQZCYSJMPRLPO-JTQLQIEISA-N 381.363 -0.427 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1328944377 SGHOBMVFOBOPNW-LBPRGKRZSA-N 384.414 -0.596 5 20 GBBD Cn1nnc(C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])CC2)n1 1592608442 PHCKZPVEKDAWKC-UHFFFAOYSA-N 385.348 -0.739 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)CC(=O)O)CC2)cc1[N+](=O)[O-] 1599611126 UXOJAWMWDKISRE-UHFFFAOYSA-N 387.370 -0.089 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cnco1 1793561485 MUCNSSICROYENN-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830907165 RXSWJSCHXNWCPK-XKKXFUJGSA-N 394.384 -0.384 5 20 GBBD N=C(N)SCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848161712 CMVBZDJUPRDMFC-QWRGUYRKSA-N 381.418 -0.380 5 20 GBBD CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 116126939 IHNJXNAGPKUJHR-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD COc1ccc(S(=O)(=O)N2CC(NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)cc1 270963438 ARLGUVIFQXNRRD-UHFFFAOYSA-N 395.397 -0.011 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)OC 276054867 AUELEAVMQQFEAH-LLVKDONJSA-N 388.354 -0.056 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)Cn3cnnn3)CC2)n1 286232333 UDRUQYJOKVPXPB-UHFFFAOYSA-N 376.333 -0.888 5 20 GBBD CN1CCN(CCCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 299439178 DDQYQVIELCGUJD-UHFFFAOYSA-N 389.412 -0.056 5 20 GBBD CN(CC(=O)N1CC(n2cncn2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 361215865 PYOJKSJWXIUUJE-UHFFFAOYSA-N 380.386 -0.110 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[C@H]1N 423161771 SHKKVTBMGHAPHE-GHMZBOCLSA-N 395.441 -0.254 5 20 GBBD Cn1cc(S(=O)(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)n(C)c1=O 443978858 IYGPNCGLHVVQBG-UHFFFAOYSA-N 394.369 -0.653 5 20 GBBD COc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 541071683 BCCYVUSDZUVKRV-UHFFFAOYSA-N 388.340 -0.011 5 20 GBBD C[C@@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1 542602333 ZAOLCFNMDQSMME-MNOVXSKESA-N 384.414 -0.096 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 590986077 PSOGHIAAFBONAS-LBPRGKRZSA-N 390.400 -0.625 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 592908667 PJVHCRBCHPFFIG-ZJUUUORDSA-N 391.336 -0.427 5 20 GBBD COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1c([N+](=O)[O-])cnn1C 600018654 PGUCDBANFJCLEB-WCBMZHEXSA-N 385.402 -0.089 5 20 GBBD COC(=O)CNC(=O)COC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776446367 AOGDDYWAJSRHTL-UHFFFAOYSA-N 381.341 -0.123 5 20 GBBD Cn1nnc(CNS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)n1 785405658 WHCCYBPMOHBECJ-UHFFFAOYSA-N 383.346 -0.447 5 20 GBBD CCN(CCN)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1331775154 PMPDSWUSYNBSBX-UHFFFAOYSA-N 383.430 -0.252 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C1CC(O)C1 1792889482 VSEVRXLGURSTCR-BHCYSEDNSA-N 393.400 -0.848 5 20 GBBD CC(C)(O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795362138 PIWQJZNOAIPQFL-DRXBFXEBSA-N 395.416 -0.458 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)[C@H]1CCCO1 1795898831 GSHFKZZSPSDCSP-WRWGMCAJSA-N 379.373 -0.300 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403273 FBAMLUUSKPBAGI-GUDRVLHUSA-N 394.388 -0.967 5 20 GBBD O=C([C@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843390328 NBSNXRIOVLUWMI-SNVBAGLBSA-N 397.413 -0.288 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 271400590 CRBAWOCMVFDSAV-CYBMUJFWSA-N 384.414 -0.135 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)CN(C)C)CC1 298497780 YEUYLVNGRLOHCO-CYBMUJFWSA-N 391.428 -0.055 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN(C(=O)C3CC3)CC2)c1 298782545 JEFUWTYKKALDOG-UHFFFAOYSA-N 392.368 -0.376 5 20 GBBD CCN1CCO[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 365728887 ZGQNURFTUYJJHN-ZDUSSCGKSA-N 386.430 -0.290 5 20 GBBD CCNC(=O)CNC(=O)c1cc(C(=O)NCC(=O)NCC)cc([N+](=O)[O-])c1 460757834 KGMFILPOXBBTIR-UHFFFAOYSA-N 379.373 -0.673 5 20 GBBD C[C@]1(C[C@H]2CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)NC(=O)NC1=O 500168261 CIPCBBYFFAYLHR-MEBBXXQBSA-N 379.377 -0.047 5 20 GBBD O=C(N[C@H]1CCn2ccnc2C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 561913871 IISXPSAFPVJGTH-ZDUSSCGKSA-N 399.411 -0.034 5 20 GBBD C[C@@](O)(CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)O 568753309 NRCYNBYJEUALEI-CQSZACIVSA-N 389.386 -0.137 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 609522509 SUEFTGSIDFCGOF-CYBMUJFWSA-N 380.405 -0.817 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1O 619874209 JYCZQEAMJZYFOT-GFCCVEGCSA-N 381.341 -0.179 5 20 GBBD CC(=O)c1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c([N+](=O)[O-])c1 749949651 RNQPZYDTXLSWCK-UHFFFAOYSA-N 383.338 -0.038 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 786766603 RTJRBDSSXSTYBD-UHFFFAOYSA-N 392.459 -0.073 5 20 GBBD CN1CCN(C)[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 826038769 XHAUXGKPQYFQAO-SNVBAGLBSA-N 396.433 -0.701 5 20 GBBD C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCO[C@@H](CC(N)=O)C2)C1=O 863324900 MAVXWMYBROIIJA-GUYCJALGSA-N 391.384 -0.105 5 20 GBBD O=C(N[C@H]1CCOC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1323191541 BRGJCPGNECDRSN-ZDUSSCGKSA-N 376.369 -0.216 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 1327738876 GOLXEBHKEVFIRG-NSHDSACASA-N 384.414 -0.124 5 20 GBBD CN1CCN(CCCN(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1329708959 CQRDWTBVAVFXJN-UHFFFAOYSA-N 381.437 -0.997 5 20 GBBD CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1590756824 DHUAJOIQKWGUGB-VIFPVBQESA-N 378.349 -0.084 5 20 GBBD CO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785217260 ANCPVLBKSZLKBJ-JURCDPSOSA-N 395.416 -0.194 5 20 GBBD CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794000634 XHCUUUPCPINJJI-DRXBFXEBSA-N 381.389 -0.583 5 20 GBBD C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCN1 1798009916 VJAUBKFPCAFYDJ-WYFUGZQLSA-N 392.416 -0.337 5 20 GBBD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc([N+](=O)[O-])[nH]2)N1 1848128452 BFECFYCDUWLARY-VWYCJHECSA-N 390.356 -0.664 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 265030584 SWXXXOBNFDVOPS-UHFFFAOYSA-N 394.417 -0.266 5 20 GBBD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NCCn1cc([N+](=O)[O-])cn1 269064139 CDJGGPCJCIGPCM-HBJVGIJOSA-N 377.357 -0.540 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 274344294 BYXOPNLVQAWKKB-UHFFFAOYSA-N 396.385 -0.375 5 20 GBBD N[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1F 419471443 ZVMJILJSHKSTAE-DZGCQCFKSA-N 390.375 0.000 5 20 GBBD CNS(=O)(=O)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 435224438 CGOXGHZIFVCVON-UHFFFAOYSA-N 394.431 -0.924 5 20 GBBD O=C(NCCN1CCCC1=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 516978055 ZBGKAEWGUHUZGX-UHFFFAOYSA-N 378.389 -0.307 5 20 GBBD C[C@H]1CN[C@H](C)CN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 568869457 IEPHMOJJPRMODL-OLZOCXBDSA-N 376.417 -0.153 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] 583450678 XBCJPNXHNILYQN-SFHVURJKSA-N 392.412 -0.094 5 20 GBBD CCN(C(=O)COC(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CCS(=O)(=O)C1 744661910 NTIKTJJULSNFTM-NSHDSACASA-N 388.402 -0.321 5 20 GBBD O=C(COC(=O)CN1CCOCC1=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 790727503 PDNKBUYMMUAWIH-UHFFFAOYSA-N 381.297 -0.336 5 20 GBBD Cn1c(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O 808777477 OSTNVSSGXWTWSB-UHFFFAOYSA-N 390.352 -0.145 5 20 GBBD CCN1CCO[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 825465054 GVYBPWDOLOVGDS-JTQLQIEISA-N 397.417 -0.226 5 20 GBBD CN1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1=O 826018276 UMARCHCPXIZDQV-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC(C(=O)NCCO)CC2)c([N+](=O)[O-])c1 920257090 UUBPGNLGDTXONS-UHFFFAOYSA-N 386.430 -0.172 5 20 GBBD O=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)=NN1 1778939347 KBUKUEXSJSXRBF-INIZCTEOSA-N 390.356 -0.758 5 20 GBBD Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)n1 1780412580 FCFXTNBIKXBJRB-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2)C(O)O 1792798891 DWSMUOVUIQFUHY-DDFAGTSDSA-N 383.332 -0.752 5 20 GBBD O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1799335569 KYQDEZOHVNFZDW-QHBPRCKVSA-N 383.357 -0.600 5 20 GBBD NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1800517629 IQZZBCLTJFTLAM-KEODLESXSA-N 379.373 -0.608 5 20 GBBD COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)c([N+](=O)[O-])c1 1847445995 ITNZHMRYRAUXBP-STQMWFEESA-N 379.369 -0.342 5 20 GBBD CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC(C(N)=O)C(N)=O 269261695 YYUBFZZQEMQAHQ-JTQLQIEISA-N 399.791 -0.542 5 20 GBBD NS(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCSC2=O)c([N+](=O)[O-])c1 270497845 TULWQDAMKUXVFW-QMMMGPOBSA-N 375.384 -0.231 5 20 GBBD COC(=O)[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C(=O)OC 442114618 YOKKGYAWBCBPPB-HZMBPMFUSA-N 381.341 -0.290 5 20 GBBD O=C(Nc1n[nH]c(N2CCNCC2)n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 575309760 VNABTNXMJAJKIH-UHFFFAOYSA-N 383.372 0.561 5 20 GBBD COC(=O)CNC(=O)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 576477162 BQFLSYBDOANOLL-UHFFFAOYSA-N 376.325 -0.073 5 20 GBBD CN(CC(=O)NC[C@H]1CNCCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 582300468 JATJVXUBWHBZMX-CYBMUJFWSA-N 386.430 -0.290 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCC(O)(C(N)=O)CC2)cc1[N+](=O)[O-] 582498616 TUMFWORLFPVOFB-UHFFFAOYSA-N 377.350 -0.257 5 20 GBBD NC(=O)C1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOCC1 610912289 YZRPVRCHWYIMKX-UHFFFAOYSA-N 378.341 -0.529 5 20 GBBD CN1C(=O)C(=O)N(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 740862591 YKTZSKNUEUTTEC-UHFFFAOYSA-N 375.341 -0.269 5 20 GBBD Cc1c(C(=O)N2CCCN(CC(N)=O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 746218274 IQTWNFCJXNVOHY-UHFFFAOYSA-N 399.429 -0.816 5 20 GBBD CC(C)(C)N1C[C@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O 1261712766 ZYAPYKHQGAVUBD-NSHDSACASA-N 380.405 -0.329 5 20 GBBD Cc1nnc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C 1322573466 DLNLDCKSZZNKMH-UHFFFAOYSA-N 388.388 -0.608 5 20 GBBD CNC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1327533342 RHHFRXWBHWCTMG-GFCCVEGCSA-N 377.401 -0.397 5 20 GBBD O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)N1 1795284124 ZTMZAPUPHYVIPB-DDIVZENXSA-N 392.368 -0.330 5 20 GBBD C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1800752789 QTJATEHTSKHXEQ-BTABJRDXSA-N 379.369 -0.116 5 20 GBBD Cn1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)n1 1848161752 DSFHBSWKZFKHIK-GJZGRUSLSA-N 387.400 -0.031 5 20 GBBD COc1ccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)cc1[N+](=O)[O-] 26841964 RYISELOCYNISKG-UHFFFAOYSA-N 379.416 -0.037 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 266783868 UEBFTFMJCGJOLF-UHFFFAOYSA-N 382.402 -0.483 5 20 GBBD CN(C)C[C@](C)(O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 269787486 XRCSDVJDZMVLIF-CQSZACIVSA-N 375.403 -0.043 5 20 GBBD C[C@@H](O)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 271103534 QGMZJPLJLOUAGL-GFCCVEGCSA-N 388.446 -0.002 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 273356797 PZFHABDTFQPLIL-CHWSQXEVSA-N 388.446 -0.160 5 20 GBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 275204316 ZEKGLIPGZINTNY-SNVBAGLBSA-N 378.384 -0.224 5 20 GBBD O=C1NC(=O)[C@@]2(CCCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)N1 447743644 HOFRXQZQKSBPBO-KRWDZBQOSA-N 389.368 -0.085 5 20 GBBD CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c([N+](=O)[O-])c1 468430134 WYMCUHCEXNHNSQ-UHFFFAOYSA-N 395.401 -0.417 5 20 GBBD NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 597555127 ZTPBETOZBNCEII-BREBYQMCSA-N 382.398 -0.032 5 20 GBBD COC(=O)CCNC(=O)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 603492698 IFCAOZICRZNJBP-UHFFFAOYSA-N 389.386 -0.049 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1)NC1CC1 604480010 IGBSIYZUWGGIMD-UHFFFAOYSA-N 384.414 -0.115 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 609522551 ZNRYCHHHYADVGB-GFCCVEGCSA-N 380.405 -0.369 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 738445344 RPUFITBBFBVRLW-SECBINFHSA-N 386.386 -0.062 5 20 GBBD CC(C)NC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 820131176 AHZCPAVRTYKLKN-UHFFFAOYSA-N 375.393 -0.184 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n1 826362950 PLXCHLVVFFNCSB-UHFFFAOYSA-N 378.330 -0.373 5 20 GBBD COc1ccc(NC(=O)COC(=O)CN(C)S(C)(=O)=O)c([N+](=O)[O-])c1 914923822 QPSQLJOJZWTJMG-UHFFFAOYSA-N 375.359 -0.024 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1118156778 HUQRBHJTJUMZHS-STQMWFEESA-N 379.369 -0.364 5 20 GBBD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C(O)O)c([N+](=O)[O-])cc1O 1792899048 FWZMFAQKPUEQRB-ILWJIGKKSA-N 395.368 -0.129 5 20 GBBD CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401334 KGFXNVFSFKDDBH-WRWGMCAJSA-N 380.405 -0.481 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CNC(N)=O)CC1 15929030 AUMANYRDOWPNIL-UHFFFAOYSA-N 385.402 -0.596 5 20 GBBD CS(=O)(=O)NCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 29682294 IADWWPFNAGBPSQ-UHFFFAOYSA-N 386.386 -0.052 5 20 GBBD COCCNC(=O)CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 267455087 OEYKZZKXYYECCA-INIZCTEOSA-N 396.444 -0.285 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 271820141 ZWJQNBHGHGVFSI-VIFPVBQESA-N 396.422 -0.072 5 20 GBBD Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(N)c([N+](=O)[O-])c1 274689935 PKTNDOHHQSWUDJ-KGLIPLIRSA-N 398.441 -0.599 5 20 GBBD CO[C@H](C)CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 282142708 JNSCMPJFGLHTNL-SNVBAGLBSA-N 381.432 -0.173 5 20 GBBD COc1cc(CN2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])cc1OC 289657435 COJXQLNLDQILRD-UHFFFAOYSA-N 391.388 -0.057 5 20 GBBD O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 299550239 CAAPOOVGPLBFCS-LSDHHAIUSA-N 383.426 -0.249 5 20 GBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCS(=O)(=O)[C@H](C(=O)O)C2)s1 424478792 XJTJROYHEOMJOH-ZETCQYMHSA-N 384.413 -0.252 5 20 GBBD O=C(CN1CCNCC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 429985344 CESWCUNMDYUFOS-UHFFFAOYSA-N 375.385 -0.689 5 20 GBBD COC(=O)[C@@H](O)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 497596550 GBULJWYEVNEEPI-ZDUSSCGKSA-N 376.325 -0.287 5 20 GBBD Cn1cc(C(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 523381681 HPEPAYZQFOGIIB-UHFFFAOYSA-N 381.370 -0.394 5 20 GBBD C[C@@H](NC(=O)COC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C(=O)N(C)C 731733107 ABDMPFIZGUAZHU-SNVBAGLBSA-N 381.341 -0.078 5 20 GBBD C[S@@](=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735106504 YUEPOCZMTOAOFJ-HSZRJFAPSA-N 378.432 -0.449 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC1CCN(CC(N)=O)CC1 737777906 IFCRDCMRTXUUSN-UHFFFAOYSA-N 394.384 -0.139 5 20 GBBD O=C(NCC(=O)OCC(=O)N1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 748383129 RHTBZSGLGRZAHT-UHFFFAOYSA-N 380.357 -0.204 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])ccc1=O)C1=CC=CN2CCS(=O)(=O)N=C12 761338167 KZMPHLXBOTZBTK-UHFFFAOYSA-N 394.365 -0.203 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H]1CCS(=O)(=O)C1 771593816 OZZJIQTVORFEOT-LLVKDONJSA-N 392.411 -0.007 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)[C@@H](CN)C1 844227066 SNJXMQRCNIIBON-NSHDSACASA-N 399.429 -0.185 5 20 GBBD CN(C)C(=O)CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1327905739 YIXJUPUVYINEMT-UHFFFAOYSA-N 392.416 -0.377 5 20 GBBD O=C(CCCc1cnn[nH]1)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1577843862 POYDOUNJOKNKEU-CHWSQXEVSA-N 380.405 -0.738 5 20 GBBD O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1582678721 RPNPBNOYFUFDDT-LSCVPOLPSA-N 386.372 -0.325 5 20 GBBD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN)c([N+](=O)[O-])c1 1795527486 WIXFCJDZCNCPRG-IVWMJMPLSA-N 392.412 -0.306 5 20 GBBD O=C(CCn1ccnn1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848163569 IHNPHJJFTXTTQG-KBPBESRZSA-N 388.388 -0.325 5 20 GBBD C[C@H]1OCCN[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 262047259 ZGENEZLJHPQTFD-DOMZBBRYSA-N 398.441 -0.195 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 265067357 NAGFJXYLILENMS-UHFFFAOYSA-N 376.373 -0.022 5 20 GBBD CN(CC(=O)NCC1(O)CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 266514306 COLBGTSCOYZROR-UHFFFAOYSA-N 387.414 -0.127 5 20 GBBD COc1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] 274857334 HILJUGUIBFZZJA-UHFFFAOYSA-N 390.360 -0.034 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O 299631402 IUZIVRMLCWNARE-QGHHPUGFSA-N 389.368 -0.134 5 20 GBBD CN(CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 422266319 WHHCNKOVIWORPG-UHFFFAOYSA-N 376.417 -0.151 5 20 GBBD O=C(O)[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCS1(=O)=O 424373762 YHGQTJIAMATENW-VIFPVBQESA-N 382.347 -0.394 5 20 GBBD NC(=O)c1cncc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 426613838 VTNNTTOSMNWTMD-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NCCc2nc(N)no2)c([N+](=O)[O-])c1 433431340 UCEAHRQFYSZTSH-UHFFFAOYSA-N 399.433 0.055 5 20 GBBD Cc1ccn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(=O)c1[N+](=O)[O-] 471375663 FXUBBXJWQQCTEG-CYBMUJFWSA-N 398.441 -0.604 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 478744841 JGDCGYDHNZDHMN-UHFFFAOYSA-N 395.401 -0.818 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 494755756 DPTSSEFKZZZRJK-LLVKDONJSA-N 384.414 -0.096 5 20 GBBD O=C(CO)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 497440911 IDXMKRQKKMHPMO-NSHDSACASA-N 396.425 -0.076 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CCN2C1=O 573579119 OTELUNSSURGFDG-OCCSQVGLSA-N 389.412 -0.185 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 592909012 ILPQWXVEKVEWSZ-PWSUYJOCSA-N 386.382 -0.006 5 20 GBBD COC(=O)CCNC(=O)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 600505865 VACXXBYJDVAGDC-UHFFFAOYSA-N 390.356 -0.025 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 619778914 ZMHGXNQOALVXME-UHFFFAOYSA-N 391.427 -0.192 5 20 GBBD CCNS(=O)(=O)CCNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C 746243742 LJDWRPBFIAWWGQ-JTQLQIEISA-N 376.439 -0.117 5 20 GBBD O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 776636327 PYRIYBOHLAOGSO-LBPRGKRZSA-N 385.398 -0.010 5 20 GBBD O=C(O)[C@H]1C[S@](=O)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 776716193 OFQDXTFWBBGVBD-SFDCACGMSA-N 376.412 -0.015 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893055 LUGSCZDTPPIPNZ-VIFPVBQESA-N 378.388 -0.781 5 20 GBBD CCON(CC)C(=O)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 862621982 LNTVMSUHWUMDBP-UHFFFAOYSA-N 388.402 -0.211 5 20 GBBD CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1325178621 OVYWXPHCRCEJJP-CQSZACIVSA-N 397.409 -0.170 5 20 GBBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 1329499076 NFMJLIHIXWALPM-UHFFFAOYSA-N 383.430 -0.304 5 20 GBBD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1783133679 KLSZBUKNPCLMSJ-MRXNPFEDSA-N 380.357 -0.233 5 20 GBBD COC(=O)CNC(=O)c1ccc(NCCCN2CCNC(=O)C2)c([N+](=O)[O-])c1 278266834 AIOOAAAQAGXMSV-UHFFFAOYSA-N 393.400 -0.269 5 20 GBBD O=C(C(=O)N1CCn2cnnc2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 297802103 JCMAAHLJCCUFHO-UHFFFAOYSA-N 385.384 -0.123 5 20 GBBD O=C1NC(=O)[C@]2(CCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)N1 447761378 VESRWTQLELVVJD-MRXNPFEDSA-N 375.341 -0.475 5 20 GBBD CN(CC(=O)NCC(=O)NCCN1CCOCC1)c1ccccc1[N+](=O)[O-] 463852850 DCIUQOFNUITYCO-UHFFFAOYSA-N 379.417 -0.404 5 20 GBBD Cn1[nH]cnc1=NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 475297477 XBOOERTWWJYXJO-LBPRGKRZSA-N 380.386 -0.063 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 522273423 JUFNWYJNOCRVLI-UHFFFAOYSA-N 394.384 -0.156 5 20 GBBD NS(=O)(=O)[C@@H]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 536360663 KSFWKYLPJDAHHJ-CYBMUJFWSA-N 399.429 -0.327 5 20 GBBD CNc1nccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 553005050 DYESMVPFCDWAHQ-UHFFFAOYSA-N 390.400 -0.062 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 566316521 CJHDGZAHDNUQFU-VIFPVBQESA-N 393.399 -0.395 5 20 GBBD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 728761144 ZLQAFUITACCIEI-LBPRGKRZSA-N 398.397 -0.473 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCCN1C(=O)CNC1=O 730628356 PGGKKOGKUWFHEF-UHFFFAOYSA-N 381.297 -0.110 5 20 GBBD COCC(COC)S(=O)(=O)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 851500189 JTOHZZXPXLXTOE-UHFFFAOYSA-N 399.385 -0.104 5 20 GBBD CC1(C)OC[C@H](CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)O1 1331650198 OWWQWWOKCQVPKG-LBPRGKRZSA-N 393.400 -0.094 5 20 GBBD C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CCN1S(C)(=O)=O 1591774031 OXKAAQPTDXDMAH-QMMMGPOBSA-N 382.406 -0.173 5 20 GBBD O=C(O)c1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1608914725 HADMVWOLPZIDBN-ZIAGYGMSSA-N 385.398 -0.427 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] 265911275 WLMIDSLDLYFYNQ-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 368983521 JPLSDHXPLJVXIK-OCCSQVGLSA-N 399.425 -0.412 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](N(C)CC(=O)O)[C@H](O)C1 435698563 RTGSIYZKFAOIMB-LEWSCRJBSA-N 394.384 -0.699 5 20 GBBD CCS(=O)(=O)N(C)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 440320368 LDMWMCHSYKMFIW-CQSZACIVSA-N 375.451 -0.102 5 20 GBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 470788277 FNIVDYATYTYFBS-UHFFFAOYSA-N 392.459 -0.502 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[S@](=O)C1 475111084 PUXBGXJHQSPZCC-JUZXBQNTSA-N 390.443 -0.307 5 20 GBBD O=C(c1cn(CCO)c(=O)nc1O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 497861327 WWPVWHYWYYSEDU-JTQLQIEISA-N 390.356 -0.429 5 20 GBBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1 572617884 KQESRRURRNOOQX-CYBMUJFWSA-N 378.428 -0.394 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)[C@H]1CCCO1 600239300 SUUREWZBPHYYLM-ZIAGYGMSSA-N 387.414 -0.081 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O 609912561 MBODMEWVBATNLX-ABKXIKBNSA-N 375.341 -0.476 5 20 GBBD CC(C)[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCS(=O)(=O)C1 913305037 HEMHXDJEYFPSAP-ZWNOBZJWSA-N 388.402 -0.338 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CC=CCC1 1322480350 ZDZQHOBPDCNWKZ-UHFFFAOYSA-N 382.398 -0.222 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@@H]1CN1CCCC1=O 1329962634 SYXOCDGBLLTHQG-CYBMUJFWSA-N 392.416 -0.089 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)CNC(N)=O)CC2)c([N+](=O)[O-])c1 9891270 JQXCXKGLRXRDIT-UHFFFAOYSA-N 385.402 -0.685 5 20 GBBD NC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 270719333 WIZMBMKKKKICRJ-VIFPVBQESA-N 393.356 -0.036 5 20 GBBD CC[C@@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272951258 GKXLPKALORNKQY-GVXVVHGQSA-N 387.414 -0.394 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(N)=O)c([N+](=O)[O-])c1 275075319 HPHFLLGADJTMIT-KCJUWKMLSA-N 387.370 -0.057 5 20 GBBD COC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 275110309 WASCWBXFBROZNV-VIFPVBQESA-N 375.359 -0.163 5 20 GBBD CCOC(=O)CC[C@]1(C)NC(=O)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 287326984 VRDRRVLAADCTCJ-ABAIWWIYSA-N 383.361 -0.194 5 20 GBBD NS(=O)(=O)c1cc(N2CCN(C(=O)C(=O)NC3CC3)CC2)cc([N+](=O)[O-])c1 298812417 YMMKJIOWQBDYLX-UHFFFAOYSA-N 397.413 -0.831 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 436775769 YBFXPJKNCLHGIG-UWVGGRQHSA-N 385.398 -0.030 5 20 GBBD CN(CCCNC(=O)Cn1c(=O)oc2cccc([N+](=O)[O-])c21)S(C)(=O)=O 592349068 OLAISLQMRUWBAF-UHFFFAOYSA-N 386.386 -0.100 5 20 GBBD COC(=O)[C@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599421447 NCDCCWKFJORYHG-DTWKUNHWSA-N 390.374 -0.556 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 611005525 NENIUEROWVWUIQ-GHMZBOCLSA-N 388.450 -0.023 5 20 GBBD C[C@@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 733566319 CTPCTZIYHGVJAE-MRVPVSSYSA-N 378.297 -0.114 5 20 GBBD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 763213322 GOBLDQVJXBQAEC-MRVPVSSYSA-N 382.192 -0.258 5 20 GBBD Cn1nnnc1CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 778054248 JGMVSOUKWJLIGR-UHFFFAOYSA-N 397.373 -0.404 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2ccc(-c3nn[nH]n3)nn2)cc1 826499668 RRZHEXFOMBHZHY-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1327032460 GFXUCYFVHYFXGX-ZDUSSCGKSA-N 396.425 -0.370 5 20 GBBD COCCN(Cc1cccnc1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1343181760 FPXTWMNHVPHVIS-UHFFFAOYSA-N 376.373 -0.022 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCCOCC(=O)O 1777336047 UPPGURSFFURWED-UHFFFAOYSA-N 378.359 -0.001 5 20 GBBD COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1784287906 CJKILNJWUDHRJK-DCAQKATOSA-N 397.388 -0.470 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2)c1ccc([N+](=O)[O-])o1 1792355012 KDXOKRMRLPCGAU-WDAIWFPHSA-N 391.344 -0.922 5 20 GBBD O=C(CN1CCC[C@]2(C1)NC(=O)NC2=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 279023065 GZEHEEFCMXUFDM-MRXNPFEDSA-N 391.340 -0.064 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 298676689 VYYUTNDHRFNOKC-UHFFFAOYSA-N 379.416 -0.131 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 533180223 FMWSMLHTKZUFIX-UWVGGRQHSA-N 395.463 -0.193 5 20 GBBD CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 579008407 TXFGFJUVZJILDA-ZDUSSCGKSA-N 385.446 -0.636 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 583152799 BYVYOLVPNJXACJ-IVZWLZJFSA-N 375.407 -0.899 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 614547989 MEKZOHRITVKSAQ-UHFFFAOYSA-N 396.381 -0.802 5 20 GBBD CC(C)[C@@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 619581930 BTXQJKIFDWVAPL-CQSZACIVSA-N 384.414 -0.144 5 20 GBBD CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 741115573 RPCXEKPKUFIUMO-NSHDSACASA-N 389.390 -0.430 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 860860140 ATIKQFXSRSLLIQ-GCDPNZCJSA-N 383.338 -0.485 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1258324918 HKNXXZWPIYVKPY-ZDUSSCGKSA-N 384.414 -0.596 5 20 GBBD O=C(O)[C@H]1CCCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O 1601817725 LSTNEJQWOHMPOH-LBPRGKRZSA-N 391.384 -0.038 5 20 GBBD NS(=O)(=O)CCN1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1609506085 TUWLSFFSKYFNCC-UHFFFAOYSA-N 382.406 -0.815 5 20 GBBD COC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794279416 KDSQUUDAZPPQLJ-ZSBIGDGJSA-N 394.388 -0.215 5 20 GBBD NC(=O)N1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 267093149 KMZTYUXJCDHESL-NSHDSACASA-N 385.402 -0.468 5 20 GBBD O=C(NCCNC(=O)c1ccn[nH]1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 272629263 YKVONYCNWBJQGY-KGLIPLIRSA-N 392.372 -0.559 5 20 GBBD C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1 297377162 VKJGUKZLYUPVJG-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD COC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298793676 UGDPMYXRAVNKOF-UHFFFAOYSA-N 386.386 -0.216 5 20 GBBD COC(=O)[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)O 443676183 PIDMCPNKTQXBKE-ZANVPECISA-N 389.386 -0.698 5 20 GBBD CO[C@]1(CN=c2[nH]c(C)c([N+](=O)[O-])c(=NC[C@@]3(OC)CCOC3)[nH]2)CCOC1 460948218 IAPIDRVEGOSJAD-IRXDYDNUSA-N 397.432 -0.028 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC(N2CC[C@@H](O)C2)C1 593856448 WYDNWDHRTRZACG-CYBMUJFWSA-N 376.369 -0.402 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 594826840 PGVFRCCFPQQBNK-MWLCHTKSSA-N 380.400 -0.306 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)n(C)c1=O 728984988 OSSWXEIYDUTIRS-UHFFFAOYSA-N 386.324 -0.702 5 20 GBBD Cn1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(=O)n(C)c1=O 735153205 LIAQYZUVUHFWMJ-UHFFFAOYSA-N 380.288 -0.073 5 20 GBBD NC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)O 776443150 CUXLGOJFUAWPFI-ZETCQYMHSA-N 396.175 -0.036 5 20 GBBD C[S@](=O)CCN1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 782327313 HOMJIEQBJZQCRJ-QHCPKHFHSA-N 376.460 -0.257 5 20 GBBD Cn1cnn(CCC(=O)OCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c1=O 815951710 NMZYZNUAWAEROG-UHFFFAOYSA-N 378.345 -0.366 5 20 GBBD Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n(C)c1=O 854497005 WOBZACHLLPBPKT-UHFFFAOYSA-N 387.356 -0.047 5 20 GBBD C[C@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810152 CIQONAMPKIGJRG-BLFANLJRSA-N 380.405 -0.494 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2)c1n[nH]cc1[N+](=O)[O-] 1798009805 HYROXMICYIBMFN-VZYVEOEESA-N 379.373 -0.708 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1842946333 AVBNMCLUTOTBIG-SNVBAGLBSA-N 378.389 -0.667 5 20 GBBD C[C@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388104 WZGLCWZFEUTYRQ-SNVBAGLBSA-N 399.429 -0.184 5 20 GBBD C[C@@H](C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)n1ccnn1 1845811991 MYZKGAIZCZKCOI-LBPRGKRZSA-N 388.388 -0.153 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1847170326 BANGKXILRCYRQB-MQIPJXDCSA-N 394.384 -0.346 5 20 GBBD CNC(=O)C1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 274287321 YGFCOHYIAIRIFQ-UHFFFAOYSA-N 384.414 -0.202 5 20 GBBD NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCN1 296444166 LFSTYQBCZINALM-GFCCVEGCSA-N 383.430 -0.357 5 20 GBBD Cn1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)O)c(=O)n(C)c1=O 548591147 DVMVTBLBRSIQDB-UHFFFAOYSA-N 384.326 -0.509 5 20 GBBD CS(=O)(=O)C1CN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 596570183 VVSXGEMLAXTGTN-UHFFFAOYSA-N 391.427 -0.193 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CCO1 600017755 ZURXZZQVNTYAPM-GFCCVEGCSA-N 379.373 -0.002 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785662890 TYPIOJYQELYQCH-ZDUSSCGKSA-N 381.389 -0.485 5 20 GBBD CC(C)(C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1)n1cc([N+](=O)[O-])cn1 854591320 OSXIWFXIKRUUSS-UHFFFAOYSA-N 393.447 -0.204 5 20 GBBD CCN(C(=O)[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 913301714 WWRRZQYLJBFBKQ-MNOVXSKESA-N 388.402 -0.241 5 20 GBBD Cc1ccnc(N2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)c1 1117603968 NCNPCJXQQKLSEV-UHFFFAOYSA-N 387.400 -0.040 5 20 GBBD CCN1C[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O 1590729028 HKSPDRNEINJEBT-SECBINFHSA-N 395.401 -0.078 5 20 GBBD COCCOCCN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1591438736 ABNSATKJEHDTGM-UHFFFAOYSA-N 378.393 -0.045 5 20 GBBD CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1)NS(C)(=O)=O 1776294847 XNCXNDCQTPWRAI-UHFFFAOYSA-N 395.415 -0.101 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788809837 PDRNRGSYNXDECA-ZXOGFUGESA-N 393.400 -0.318 5 20 GBBD N=C(N)SCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798745491 YGSJJZIUUSHZHM-YFKFIEJBSA-N 396.429 -0.247 5 20 GBBD COCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834971546 UEHSDWJVQOAAKB-OAHLLOKOSA-N 383.361 -0.966 5 20 GBBD COCCNC(=O)Cn1cc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cn1 266226583 ITABGATZEYGHPO-UHFFFAOYSA-N 398.401 -0.055 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 269941073 ZVJHNEVUXIRYBJ-CABCVRRESA-N 385.442 -0.121 5 20 GBBD NS(=O)(=O)c1cccc(N2CCN(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] 272476672 IXGXGMAQACUSTI-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD CCOc1cc(N2CCN(C(=O)[C@H](CO)NC(N)=O)CC2)ccc1[N+](=O)[O-] 279779782 IOCWSVHGOPKIRQ-LBPRGKRZSA-N 381.389 -0.329 5 20 GBBD C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 298547532 BXTXZKLUGDVCGL-LBPRGKRZSA-N 375.385 -0.410 5 20 GBBD COC(=O)C[C@H]1COCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 377452886 PYWCXJAHWSIOQA-JTQLQIEISA-N 391.336 -0.019 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N1CCNC1=O 421026472 RUZVRADDVISVDG-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD COC(=O)Cn1cc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)nn1 441785039 HALMDPXMJQYDFL-UHFFFAOYSA-N 376.329 -0.077 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 499947340 SGEWSJWZDCTKGD-VIFPVBQESA-N 395.397 -0.071 5 20 GBBD NS(=O)(=O)NC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 599488790 FLCDWCHLMGNAHF-UHFFFAOYSA-N 378.432 -0.318 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1 738445347 RPUFITBBFBVRLW-VIFPVBQESA-N 386.386 -0.062 5 20 GBBD O=C(CN1CC[C@@H](CO)[C@@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 808749655 ADACFXHSDGJFRL-YOEHRIQHSA-N 378.429 -0.082 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1c(N(C)C)n(C)c(=O)n(C)c1=O 814062212 HFAKJNGKSPEQFR-UHFFFAOYSA-N 394.388 -0.303 5 20 GBBD COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 1328427988 XDJOMWYLDLUBNG-ZFWWWQNUSA-N 391.380 -0.138 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 1329130493 OJQGSDKKFHTVOH-KGLIPLIRSA-N 399.425 -0.476 5 20 GBBD O=C(CCCc1cnn[nH]1)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1577854444 FSXYUBWNBQJLNW-CHWSQXEVSA-N 380.405 -0.738 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 1592968290 ZXMABDOWYNAKTI-UHFFFAOYSA-N 386.372 -0.298 5 20 GBBD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)[nH]1 1793537252 PXJBXLTYQGVTSD-PEGIJTEDSA-N 389.372 -0.134 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 31248092 HSJHVZIKJANZKN-UHFFFAOYSA-N 384.414 -0.070 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@@H]2C1 267492828 WIJSWQUWSFGLRJ-CYBMUJFWSA-N 375.385 -0.126 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@H](C(=O)O)C2)c([N+](=O)[O-])c1 269219875 ZXJIDCOQXWLZHV-VIFPVBQESA-N 386.386 -0.023 5 20 GBBD CNS(=O)(=O)N1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 289291622 HEQLWPLXOLEPSO-UHFFFAOYSA-N 383.430 -0.434 5 20 GBBD O=C1NC2(CCOCC2)C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 348386816 LCQFKEWBZLNDGT-UHFFFAOYSA-N 398.397 -0.026 5 20 GBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H](CO)CN1CCOCC1 425290501 OUNYGFAUHFIZKK-CYBMUJFWSA-N 381.385 -0.282 5 20 GBBD O=C([C@H]1C[C@H](O)CN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 432524123 PQAFRCRBINYHLP-GXTWGEPZSA-N 384.414 -0.850 5 20 GBBD CN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 481293482 OSCUPVIBUHIENZ-ZDUSSCGKSA-N 399.429 -0.207 5 20 GBBD O=C(NCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)NCc1ccc([N+](=O)[O-])cc1 489562542 FKFCASLUPGFRKA-LBPRGKRZSA-N 390.356 -0.843 5 20 GBBD C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCF 504527454 ZNDZAIVLQQUZLP-SNVBAGLBSA-N 390.393 -0.146 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 516421044 VQGHRRJAJDDMPA-UHFFFAOYSA-N 380.357 -0.141 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c([N+](=O)[O-])n1 539221674 NCVIZTIGKREVBD-NXEZZACHSA-N 375.407 -0.275 5 20 GBBD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 542347867 WWDFZGZYYAYQGT-UHFFFAOYSA-N 379.333 -0.544 5 20 GBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 552201455 NYVJIUJJALGMLY-JTQLQIEISA-N 375.407 -0.170 5 20 GBBD CN1C[C@H](N(C)C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1=O 577230265 YZXKGNIUNJDBII-LLVKDONJSA-N 384.414 -0.048 5 20 GBBD COC(=O)NCCC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861406694 FRCNVNZQVSMQHO-UHFFFAOYSA-N 375.359 -0.150 5 20 GBBD C[C@H]1CN(CCCNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCO1 1324039852 VBQGOZNNNLKEOD-ZDUSSCGKSA-N 382.421 -0.475 5 20 GBBD CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1=O 1590736554 NHMHWFHYBJFGCJ-UHFFFAOYSA-N 381.374 -0.372 5 20 GBBD NC(=O)CC(=O)N1C[C@@H]2CC[C@H](C1)N2c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1592724008 MTPFRQWSNDCIEK-PHIMTYICSA-N 386.372 -0.170 5 20 GBBD Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])[nH]2)n1 1798744154 NYIJHAJYYFLNME-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD NC(=O)c1nccnc1C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828951 LZCAGOCVBKHNPN-UHFFFAOYSA-N 399.367 -0.057 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 31449942 GUIYYSUOEKCCJG-NSHDSACASA-N 382.398 -0.294 5 20 GBBD CN(CC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 266220991 ARRWFGIBHRZSMK-LBPRGKRZSA-N 398.441 -0.159 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 275799278 FZZNCHPMOUAKCZ-GXTWGEPZSA-N 388.398 -0.394 5 20 GBBD C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294466822 IBQHGDZPOULCQJ-NSHDSACASA-N 384.414 -0.183 5 20 GBBD CNC[C@@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419963120 YRWLMKMBHYPABN-CYBMUJFWSA-N 391.428 -0.149 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 443881858 HZGWSNSCTLLYRD-GFCCVEGCSA-N 392.416 -0.542 5 20 GBBD CN(CC(=O)NCCc1ncn(C)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 445941270 JCEXRWMGRPDASL-UHFFFAOYSA-N 382.402 -0.297 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 499961350 WONPPZUPPBONLN-SECBINFHSA-N 379.329 -0.540 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)N1CCS(=O)(=O)CC1 500323576 MAXFYGIODJDNEF-UHFFFAOYSA-N 379.416 -0.332 5 20 GBBD CNS(=O)(=O)C[C@H]1CCCN1c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598603326 ZSCMJBZQUWQZMW-LLVKDONJSA-N 386.434 -0.261 5 20 GBBD CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1346301201 AENIFKXLLFOGHF-NWDGAFQWSA-N 380.405 -0.329 5 20 GBBD CN(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379946 NXLUDXNRTNVLRJ-INIZCTEOSA-N 380.405 -0.287 5 20 GBBD COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413630 ADMSEGCBVBJRSY-INIZCTEOSA-N 382.373 -0.015 5 20 GBBD C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838828434 QXVKUMGDXJNUAC-ZBEGNZNMSA-N 382.373 -0.626 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350179 OOTAAMIVJRJTSK-AWEZNQCLSA-N 390.444 -0.236 5 20 GBBD C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 265885502 DCVPDLPUKGZFOX-NSHDSACASA-N 384.414 -0.183 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 268250133 JSJUREXJWRPACY-LLVKDONJSA-N 387.370 -0.344 5 20 GBBD CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 294659569 NVHGFDOBHGNPNE-GWCFXTLKSA-N 384.414 -0.001 5 20 GBBD COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)OC 299219097 LQZFSKDBUSWGIP-LLVKDONJSA-N 388.354 -0.167 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@]1(CCO)CCOC1 447064365 WORIAXHLRRHNIL-OAHLLOKOSA-N 387.414 -0.079 5 20 GBBD CNc1nc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] 455681781 LTFJYJVETGKISW-LBPRGKRZSA-N 392.416 -0.306 5 20 GBBD CNC(=O)Cn1cnc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 460579305 VAGPTAZWMIPYFT-UHFFFAOYSA-N 375.345 -0.309 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCC(C(=O)OC)CC2)c1 512098253 AFQUMCLGJHQXSP-UHFFFAOYSA-N 381.341 -0.045 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 535432488 XKAXBGLZUQMVPA-UHFFFAOYSA-N 388.388 -0.322 5 20 GBBD CNc1nccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1[N+](=O)[O-] 569352760 CIJZXNDOYYWKMK-UHFFFAOYSA-N 389.372 0.339 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] 593853069 BFHSSDSQRDCJGO-CYBMUJFWSA-N 378.385 -0.389 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)C3CC3)CC2)c([N+](=O)[O-])c1 599128346 XYMSHLGBSYLODA-UHFFFAOYSA-N 390.443 -0.144 5 20 GBBD COC1(C)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 611658691 QTBYKMGGIKRSDS-YPMHNXCESA-N 399.425 -0.034 5 20 GBBD O=C(OCCN1C(=O)CNC1=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 733558464 NMAIRHLXQHMFTC-SECBINFHSA-N 380.313 -0.113 5 20 GBBD C=CC(=O)N(C)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 862017337 VMCMGLSCWUTHMR-UHFFFAOYSA-N 384.414 -0.024 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 1330659802 KBQXRCNFROLWDE-CHWSQXEVSA-N 383.382 -0.635 5 20 GBBD C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCN1CCO 1603939510 VDHVXSHSYPXZHX-JTQLQIEISA-N 397.417 -0.538 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 1605356931 JPGSMJFXJRBCQC-UHFFFAOYSA-N 396.433 -0.236 5 20 GBBD CC(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999468 DJPDANLEIYZEDG-FVCICTRLSA-N 395.416 -0.194 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2)c1nc[nH]c1[N+](=O)[O-] 1796405852 QZUVYKPNQZCYBJ-DDFAGTSDSA-N 389.372 -0.513 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC([C@@H]2CCCCN2C(=O)C(O)O)CC1 1824025237 VVEFPEDRFUZFOF-NSHDSACASA-N 381.389 -0.138 5 20 GBBD O=C1CN(C(=O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)CCN1 32782742 GYCVBESYWSCWKD-UHFFFAOYSA-N 397.351 -0.551 5 20 GBBD NC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1 266690488 DBSGJIDXOCXSIR-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD CCS(=O)(=O)NCCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 266847202 QEYYVJOJLMVRMY-UHFFFAOYSA-N 394.431 -0.780 5 20 GBBD Cc1oc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1S(N)(=O)=O 269290793 DBHYKDJCPKTDEA-SMDDNHRTSA-N 399.381 -0.032 5 20 GBBD COCCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 283267535 ASLGKFFDRPAJRW-YPMHNXCESA-N 387.414 -0.129 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NC(=O)NCC(F)(F)F)c1=O 299080138 REDYSAOJQICENA-UHFFFAOYSA-N 380.235 -0.069 5 20 GBBD COC[C@@H](C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 363616573 FOGXRZUQHBKZGY-MDZLAQPJSA-N 387.414 -0.130 5 20 GBBD COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1[N+](=O)[O-] 424390545 FGOAHWYDRYMYEX-GFCCVEGCSA-N 387.370 -0.003 5 20 GBBD Cc1c(C(=O)NC[C@H](CO)[C@H]2CCOC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 435926646 NNXFGWRRBKFZMH-WDEREUQCSA-N 387.414 -0.075 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 521843380 LAOBKGMOOKUTSM-KBPBESRZSA-N 387.389 -0.039 5 20 GBBD CC(C)N1C(=O)C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 537285853 YGSAUMAQVUNOLX-JTQLQIEISA-N 398.397 -0.475 5 20 GBBD CCN(C(=O)CSc1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCS(=O)(=O)C1 563437787 CNQNMUFKVNLGAH-QMMMGPOBSA-N 375.432 0.095 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC3(CC2)NC(=O)NC3=O)c([N+](=O)[O-])c1 588326862 GTMFHENCWDJSNT-UHFFFAOYSA-N 383.386 -0.319 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCN(Cc3nc[nH]n3)CC2)c([N+](=O)[O-])c1 593507104 CKLMXMXXNMKXFT-UHFFFAOYSA-N 381.418 -0.057 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N(CCO)CCOCCO 600115313 FKGQAPNNHNFSNG-UHFFFAOYSA-N 383.357 -0.850 5 20 GBBD COC(=O)C[C@@H](O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 600467339 KBQJOSQYXYSJIV-LLVKDONJSA-N 389.386 -0.697 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C(=O)O)[C@H](O)Cc2ccccc2)n1 600653545 LAIZSYYPRFMMJV-VXGBXAGGSA-N 384.370 -0.337 5 20 GBBD CN1CCN(C(=O)CN(C)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 604430839 JOKRUCBQNAJRHN-UHFFFAOYSA-N 398.441 -0.156 5 20 GBBD O=C(NCCn1cnnn1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 845803195 SQXPGTRDFYDWRM-CYBMUJFWSA-N 395.401 -0.449 5 20 GBBD CN(CC1CC1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1261084772 LHCQVPBKHIFGRS-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCO1 1325217232 JKDUFJLYCWABAY-GFCCVEGCSA-N 385.398 -0.025 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1325600299 MGPFOECYLGWSGP-GFCCVEGCSA-N 398.441 -0.049 5 20 GBBD CNc1nccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)O)c1[N+](=O)[O-] 1598682110 VCARWENSEBEBDO-UHFFFAOYSA-N 380.405 -0.194 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1606623577 QNQLSFAMLSTXEO-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD C/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1800461337 OVZDXOFJZOETSE-ZAHULMEISA-N 390.396 -0.078 5 20 GBBD O=C1OCCN1CCC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1843857289 DFSPJGCWICQKGV-UHFFFAOYSA-N 392.372 -0.023 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3COCCN3)CC2)c([N+](=O)[O-])c1 262603797 FDXSESZJGWEZKQ-ZDUSSCGKSA-N 398.441 -0.365 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1O 269123110 JTQMVCQKGYDMJC-YPMHNXCESA-N 385.398 -0.472 5 20 GBBD Cc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc([N+](=O)[O-])c1F 271519363 ZUIPJEVULJSVGU-UHFFFAOYSA-N 382.395 -0.448 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ccc([N+](=O)[O-])c(N)c1F)C2 276279732 IBGXAKGLWVPCMK-UHFFFAOYSA-N 379.352 -0.217 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 378228089 NWZSVJBITVPWTA-SNVBAGLBSA-N 386.386 -0.308 5 20 GBBD O=C(O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O 424372253 WFMZSWRWXOFZDM-SNVBAGLBSA-N 382.347 -0.394 5 20 GBBD COc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1[N+](=O)[O-] 437236245 MJEJAUDHHOGQNE-UHFFFAOYSA-N 396.400 -0.305 5 20 GBBD C[C@H](O)C(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 498777273 MGEKFZJQSQNMJJ-NSHDSACASA-N 392.368 -0.628 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1c1ccnn1C 502317324 HNHHCURUMQEWFP-SJKOYZFVSA-N 388.384 -0.032 5 20 GBBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CS(=O)(=O)CCO1 507888667 COFKVDPQBWLFGO-GFCCVEGCSA-N 378.428 -0.130 5 20 GBBD Cc1cc(=O)c(C(=O)NC[C@H](C)S(N)(=O)=O)nn1-c1ccccc1[N+](=O)[O-] 537728435 NLQXTFXGZSLTDG-JTQLQIEISA-N 395.397 -0.144 5 20 GBBD COCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(N)=O 543165910 AHQQKFJFLJYFGB-JTQLQIEISA-N 375.359 -0.450 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1C[C@@H](O)C[C@@H](O)C1 610606692 QARYEFVOMSCBMT-AOOOYVTPSA-N 381.341 -0.351 5 20 GBBD CN1CC[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O 615929275 XLYXIIGLFRHHKJ-JTQLQIEISA-N 399.429 -0.219 5 20 GBBD O=C(O[C@H]1CCNC1=O)c1cc(C(=O)O[C@H]2CCNC2=O)cc([N+](=O)[O-])c1 764573088 CWOABBSMWLWWPR-RYUDHWBXSA-N 377.309 -0.315 5 20 GBBD O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778123552 VBFNEKCYKKGUKI-LLVKDONJSA-N 399.381 -0.307 5 20 GBBD CCN(CC(=O)N(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 821165124 PMGQVZAEEZONOY-UHFFFAOYSA-N 383.390 -0.126 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](OCCO)C2)c1-c1nn[nH]n1 826500228 OYALGDUPCKMVDK-JTQLQIEISA-N 398.401 -0.063 5 20 GBBD CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1257214195 WYKKQUVAYJEGLU-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD CN(C)C(=O)C1(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCC1 1326641137 ORJDIRRIYVIRCN-UHFFFAOYSA-N 380.405 -0.328 5 20 GBBD CCN(CC)S(=O)(=O)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 1349920140 HQNMAGMZTNQUFY-LLVKDONJSA-N 375.455 -0.139 5 20 GBBD O=C(Cn1nccn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779387610 WRYNCDOELPVRJS-OAHLLOKOSA-N 390.360 -0.947 5 20 GBBD CC(=O)N1CCN(CCNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 46823634 ZUIDQZIVUWACNZ-ZDUSSCGKSA-N 391.428 -0.007 5 20 GBBD Cn1nc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O 57404956 BTIBYNZLBPLRJH-UHFFFAOYSA-N 381.370 -0.603 5 20 GBBD Cn1c(N)c(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c(=O)n(C)c1=O 264062613 GTZFQIGGEOHAEO-UHFFFAOYSA-N 387.150 -0.584 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 267196246 MHFSXSLDGVEZOE-ZIAGYGMSSA-N 387.389 -0.350 5 20 GBBD COC[C@](C)(NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OC 268212846 HVGSFVHKQKSBCU-INIZCTEOSA-N 379.325 -0.115 5 20 GBBD CN(C[C@H](O)CO)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 273841232 MEZBUYIAVMXMNT-JSGCOSHPSA-N 387.414 -0.441 5 20 GBBD C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 282442590 ZNSPWRNFMJTDFI-GXFFZTMASA-N 399.429 -0.303 5 20 GBBD Cc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1-n1cnnn1 370702399 PSLVJALUJHJBCT-UHFFFAOYSA-N 385.344 -0.170 5 20 GBBD NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c[nH]1 462023210 JQRPUPKJAVTASC-UHFFFAOYSA-N 393.381 -0.111 5 20 GBBD CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[C@@H]1CCNC1=O 536153658 ZEXGTJLSDTZENR-CYBMUJFWSA-N 384.414 -0.060 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 592476554 IYNALWHTJFGPTC-SMDDNHRTSA-N 386.430 -0.162 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC=CCN1 600138106 YUKOFTCUZXIZDA-AAEUAGOBSA-N 382.398 -0.378 5 20 GBBD CN1CC[C@@H](OC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 734887920 OXNXANDBFWAWHF-GFCCVEGCSA-N 386.386 -0.182 5 20 GBBD NC(=O)CN1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 737778488 MGNWVWDSVGCOEM-UHFFFAOYSA-N 389.368 -0.743 5 20 GBBD Cn1c(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1[N+](=O)[O-] 761062158 RVEVNCBUJQGNLU-UHFFFAOYSA-N 390.356 -0.073 5 20 GBBD Cn1cnn(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1=O 781267029 WPRTVVDVZWEBBG-UHFFFAOYSA-N 379.285 -0.599 5 20 GBBD O=C(CN1CC[C@@H](CO)[C@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 808749654 ADACFXHSDGJFRL-WMLDXEAASA-N 378.429 -0.082 5 20 GBBD Cn1c(COC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc(=O)n(C)c1=O 920701083 IKMOXLNLMGSYGX-UHFFFAOYSA-N 397.365 -0.247 5 20 GBBD CNS(=O)(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1604897920 WTLNICJGZWOEFK-UHFFFAOYSA-N 396.433 -0.207 5 20 GBBD O=C(CN1CCCC1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378979 SROAFZYLQXTTDK-KRWDZBQOSA-N 392.416 -0.143 5 20 GBBD CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795723572 YDRNGEGHPJLWLK-NOHGZBONSA-N 380.405 -0.481 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)C[C@@H]2COCCN2)c([N+](=O)[O-])c1 262033781 FIVSOVGOAKZCOA-LLVKDONJSA-N 386.430 -0.095 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](CNC(C)=O)C1 265373854 IWMLFKLGBIYONG-LBPRGKRZSA-N 380.357 -0.095 5 20 GBBD CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)co1 271723208 YCATTXVLTNPCOE-GXTWGEPZSA-N 399.381 -0.080 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCN(C)CC1 276414263 BQUMYVPFXLXVFG-UHFFFAOYSA-N 386.430 -0.093 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CCCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 365258817 XLXDHKQHVDUOLT-UHFFFAOYSA-N 393.400 -0.505 5 20 GBBD CCC[C@H](O)[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 412537501 RXRCFGWKMQVMAK-KBPBESRZSA-N 389.430 -0.147 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCS1(=O)=O 424244067 NSJCJBDIQQAAEB-LBPRGKRZSA-N 395.353 -0.501 5 20 GBBD CS(=O)(=O)c1cccc(N2CCN(CCS(N)(=O)=O)CC2)c1[N+](=O)[O-] 497516510 OZOMHVMBRNMEJB-UHFFFAOYSA-N 392.459 -0.591 5 20 GBBD CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O 498835111 FNEMSZHQLLPPNO-OAHLLOKOSA-N 389.412 -0.020 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C(=O)O 548257019 UCPDIQBFQBJHDI-WBNWAKSLSA-N 378.384 -0.190 5 20 GBBD NS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 548516202 NXRSPJKMFZPKEW-LLVKDONJSA-N 384.414 -0.066 5 20 GBBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@@H]1CCS(=O)(=O)N1 594347795 URUMXIZNCVEQOL-ZDUSSCGKSA-N 394.413 0.148 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 594876071 BYXHXQYUFSIVGD-LEWSCRJBSA-N 375.385 -0.517 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O 733567345 YWWWZWYLJDAIPA-UHFFFAOYSA-N 382.260 -0.364 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 736632921 XROOLUKXCOIYMZ-UHFFFAOYSA-N 395.191 -0.681 5 20 GBBD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 795159574 ZPJHQLDJWDYXAO-MRVPVSSYSA-N 382.192 -0.258 5 20 GBBD COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826158089 ZOQPKPKSDWQOIU-QMMMGPOBSA-N 399.389 -0.714 5 20 GBBD C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840672746 PLXPXSWPULRVEO-XTWCZFFVSA-N 383.382 -0.180 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1321681329 VHBHROARHPGDHF-UHFFFAOYSA-N 377.401 -0.557 5 20 GBBD CC[C@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008946 RGTMTHPJPLKVCJ-UWSPEPLBSA-N 395.416 -0.072 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843718984 NAVBHWLWPKZFAS-UHFFFAOYSA-N 397.355 -0.114 5 20 GBBD CN1N=C(C(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CCC1=O 1844411020 QLDAQNNXEJXOKW-UHFFFAOYSA-N 389.372 -0.257 5 20 GBBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCS(N)(=O)=O)ccc1[N+](=O)[O-] 263763414 HNWJRLYTYXAFPY-ZDUSSCGKSA-N 384.414 -0.087 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H](O)CN1CCOCC1 267750242 WVBIPANCJALMNC-BBRMVZONSA-N 394.428 -0.135 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 268881615 AWYNEUOZWMZMGO-CQSZACIVSA-N 377.401 -0.479 5 20 GBBD O=C1NC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CCN2C1=O 269040881 MKHJPLROUOHXEO-NSHDSACASA-N 375.341 -0.302 5 20 GBBD CN(C)C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 567738429 LTAXONVVQUPNNC-UHFFFAOYSA-N 385.402 -0.318 5 20 GBBD Cc1c(C(=O)N(C)CCN2CCNCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 592468575 CBZGVYAKMGCOKQ-UHFFFAOYSA-N 385.446 -0.472 5 20 GBBD Cc1c(C(=O)N[C@@H]2CCc3c(nnn3C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 594402605 SQUSQJPJIRDZTN-SECBINFHSA-N 394.413 -0.034 5 20 GBBD N[C@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3ncccc3[N+](=O)[O-])CC1)C2 598732572 SIPBWTMZGBTADM-UGSOOPFHSA-N 388.428 -0.022 5 20 GBBD Cc1nn(CCC(=O)NCCS(=O)(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] 726504903 KFNLXMIFCBWHML-UHFFFAOYSA-N 389.434 -0.424 5 20 GBBD COC[C@H](C)S(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 733714766 KJJBALBPKKYGFD-QMMMGPOBSA-N 385.354 -0.328 5 20 GBBD C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 825001030 WEDSRAXGCQMNSH-VIFPVBQESA-N 399.375 -0.351 5 20 GBBD NC[C@@H]1CN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CCO1 842767462 ULEXXSRZHLAEQM-SNVBAGLBSA-N 386.386 -0.100 5 20 GBBD CCN(CC)C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590684214 RHGSGNYGVFDJRS-UHFFFAOYSA-N 383.390 -0.078 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 1789391380 FILJJZDONVITQY-NHCYSSNCSA-N 389.372 -0.052 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1)C(O)O 1802918639 HJPQLHFAPTZOJK-PWSUYJOCSA-N 390.356 -0.657 5 20 GBBD C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840025373 FAMZSPDBCSCSGP-MEDUHNTESA-N 382.373 -0.626 5 20 GBBD N=C(N)NCC(=O)N1CCCC12CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1842884308 VAGJEECWLKRTNR-UHFFFAOYSA-N 376.373 -0.400 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 51893437 YKEYFTBACKSRQB-JTQLQIEISA-N 388.283 -0.153 5 20 GBBD CNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 298802896 ZUWKPDNDMMZRQS-UHFFFAOYSA-N 377.401 -0.395 5 20 GBBD COC(=O)c1cn([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 368848112 UDOHDYZARVCMSI-YPMHNXCESA-N 379.377 -0.133 5 20 GBBD COC[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 410682178 IAAOHOOHAJFPLW-CYBMUJFWSA-N 393.400 -0.488 5 20 GBBD COc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)sc1S(N)(=O)=O 491065068 FNAHFHUAWIFNTE-UHFFFAOYSA-N 375.388 -0.061 5 20 GBBD COC[C@](C)(O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 522655488 NYHUZBUXJJULTO-CQSZACIVSA-N 390.418 -0.430 5 20 GBBD COCCN(C)CCN1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1=O 579397302 KCPKKJGCVWKMTG-CYBMUJFWSA-N 382.421 -0.605 5 20 GBBD Cn1c(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(=O)n(C)c1=O 596068032 RXAQHMKNLBEBHR-UHFFFAOYSA-N 397.413 -0.080 5 20 GBBD CCC1(O)CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 597630708 CXYVEMXSOUPCKI-AAEUAGOBSA-N 399.425 -0.298 5 20 GBBD Cn1cc([C@@H](O)CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 743648734 PEKPRFOTPMGUJX-AWEZNQCLSA-N 397.413 -0.154 5 20 GBBD O=C(O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 776713169 HOWVRUGSHKSONW-GFCCVEGCSA-N 392.411 -0.349 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nc3ccccn3c1[N+](=O)[O-])C2 786090910 PCQYFADZOSBQQE-UHFFFAOYSA-N 386.372 -0.291 5 20 GBBD NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])C1 815266997 UTOPZRYJFRGLAJ-JTQLQIEISA-N 386.386 -0.008 5 20 GBBD CNC(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794274360 REVHEEGIPHQUJS-ZSBIGDGJSA-N 378.389 -0.434 5 20 GBBD NC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 1810850595 HGZWEJRWXBRQOJ-AWEZNQCLSA-N 393.448 -0.692 5 20 GBBD O=C(NCCCN1C(=O)CNC1=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 264582033 YFMQOXVIVNSGBX-OCCSQVGLSA-N 395.372 -0.770 5 20 GBBD O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1O 272399856 MRWRGSOGDJOTQJ-GFCCVEGCSA-N 378.385 -0.037 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCC[C@@H](NC(C)=O)C2)c1=O 299036539 IYHHEMUSZJIPKJ-LLVKDONJSA-N 380.357 -0.330 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 299307498 IQZYWXWCKFCPKI-UHFFFAOYSA-N 398.383 -0.093 5 20 GBBD COc1ccc([N+](=O)[O-])c(CC(=O)NCC(=O)NCCN2CCOCC2)c1F 411610778 XPFWDBFBJSWWEB-UHFFFAOYSA-N 398.391 -0.150 5 20 GBBD COC[C@](C)(O)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 452784449 WFNSNXXMYQAZQE-CQSZACIVSA-N 375.403 -0.223 5 20 GBBD CS(=O)(=O)N1CC(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 492654873 OHUWNZDULRWJAC-UHFFFAOYSA-N 384.414 -0.278 5 20 GBBD O=[N+]([O-])c1ccccc1OCCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 507903815 NXBDWBFIMOMEOI-GJZGRUSLSA-N 385.442 -0.251 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 609158512 OLTMEJKKSYSPQH-CYBMUJFWSA-N 391.384 -0.822 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)c2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 761421563 VUYSPBFDLAVANO-UHFFFAOYSA-N 398.353 -0.881 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)C[C@@H]1CCOC1 762138998 NGLSXYWATZPSNF-SNVBAGLBSA-N 399.381 -0.197 5 20 GBBD CC(C)[C@@H](OC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C1 772063005 YXAQNSDSDYIGRP-JOYOIKCWSA-N 388.402 -0.187 5 20 GBBD COc1ccc(C(=O)NCC(=O)OCCN2C(=O)N[C@@H](C)C2=O)cc1[N+](=O)[O-] 837324677 JNJRTTRSXMJLJX-VIFPVBQESA-N 394.340 -0.183 5 20 GBBD Cn1cc(C[C@H]2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)cn1 1347104682 KNAGXKXDUKCGKW-GFCCVEGCSA-N 375.389 -0.268 5 20 GBBD O=C(O)c1cc(C(=O)NC[C@@]23COCCN2C(=O)COC3)cc([N+](=O)[O-])c1 1602246570 HKMUJYYPHIZONK-INIZCTEOSA-N 379.325 -0.349 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 1607577339 UCHHYRWPMYWJRU-GFCCVEGCSA-N 378.341 -0.613 5 20 GBBD O=C1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nc[nH]c2[N+](=O)[O-])C3)CN1 1801670681 VIFZSLOMFBKTPD-MMWGEVLESA-N 376.373 -0.294 5 20 GBBD C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835518930 OSGCZRULNJNVGA-SJCJKPOMSA-N 396.400 -0.147 5 20 GBBD CC[C@@H](NC)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1843005615 BYYGXABMQTTWQO-CYBMUJFWSA-N 391.428 -0.042 5 20 GBBD O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CCN1 1846422248 LFARCAKXNKISHX-SNVBAGLBSA-N 376.373 -0.339 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O 46799774 LTIBXWSUEZWIIW-UHFFFAOYSA-N 384.370 -0.034 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C[C@H](O)CN1CCOCC1 267750245 WVBIPANCJALMNC-CJNGLKHVSA-N 394.428 -0.135 5 20 GBBD O=C1[C@@H]2COCCN2C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 272031034 BDDSHRNWUODEBM-LBPRGKRZSA-N 384.370 -0.464 5 20 GBBD O=C(O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 275074341 HMUKXDSUIHHXEX-VIFPVBQESA-N 382.347 -0.394 5 20 GBBD O=C(O)c1cn(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nn1 277230192 GRGYYHJGLLWTHZ-UHFFFAOYSA-N 399.341 -0.366 5 20 GBBD O=C(NC[C@H](NC(=O)c1cc([N+](=O)[O-])[nH]n1)C1CC1)c1cc([N+](=O)[O-])[nH]n1 286319917 HPQILQSOWUAICQ-VIFPVBQESA-N 378.305 -0.112 5 20 GBBD COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC 293903911 FXQBOOJXGQPJRS-JTQLQIEISA-N 375.359 -0.823 5 20 GBBD CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)Cn1cc([N+](=O)[O-])cn1 294145417 UJWNUPJOEUQFCS-UHFFFAOYSA-N 383.386 -0.024 5 20 GBBD Cc1c(C(=O)NCCNS(=O)(=O)N(C)C)nnn1-c1cccc([N+](=O)[O-])c1 294547141 WERQZBDSZPSHCB-UHFFFAOYSA-N 397.417 -0.390 5 20 GBBD O=C(CNc1ccccc1[N+](=O)[O-])NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 299287214 GZKPQZSILBXABU-LLVKDONJSA-N 384.414 -0.184 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 299681142 RMUZKYVQZVMVAC-HUUCEWRRSA-N 399.425 -0.724 5 20 GBBD CN(C)CCn1ccc(NC(=O)C(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 448487646 JZFORVSOYVFVDM-UHFFFAOYSA-N 389.416 0.520 5 20 GBBD COCC(COC)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 455400160 IPUVYJZIWBONSQ-UHFFFAOYSA-N 390.418 -0.166 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NC[C@@](C)(O)C(=O)O)cc2[N+](=O)[O-])CC1 471461499 ZGPVBYBSTKCRGG-QGZVFWFLSA-N 394.384 -0.171 5 20 GBBD CCn1ncnc1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 474172410 QBNHMGLHDPUBSM-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])nn2C)c1 481890349 QZFYVTFFHJHUCM-UHFFFAOYSA-N 396.385 -0.395 5 20 GBBD CNC(=O)c1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])c1 501248410 NSQYATAABPPDMY-CABCVRRESA-N 398.441 -0.766 5 20 GBBD CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 735771944 QYSRRQDNYYCNMD-JTQLQIEISA-N 375.363 -0.820 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN(CCC(=O)O)C[C@@H]2C)c([N+](=O)[O-])n1 833681967 MXWKHVYAKBXMDN-JTQLQIEISA-N 375.407 -0.019 5 20 GBBD C[C@H]1CN(S(=O)(=O)N2CCN(Cn3nccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 917428294 RTGNPVOPISIMFF-BETUJISGSA-N 388.450 -0.280 5 20 GBBD O=C(CCN1CCCS1(=O)=O)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 918478646 KTCWDMDDVGXLNL-UHFFFAOYSA-N 391.427 -0.034 5 20 GBBD CCN(C(=O)COC(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CCS(=O)(=O)C1 920658634 IKDPWXFXUPMGCK-SNVBAGLBSA-N 388.402 -0.171 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CCO1 1117618079 BUTULCOLJFJUHG-ZDUSSCGKSA-N 381.341 -0.380 5 20 GBBD Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CCNCC2)c1[N+](=O)[O-] 1329389030 OACYLYWTTBHNRA-NWDGAFQWSA-N 377.405 -0.013 5 20 GBBD O=C(c1ccc(O)nc1)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1341051997 MTTJGVDKVPHPAN-CQSZACIVSA-N 376.373 -0.289 5 20 GBBD Cc1cc(NC2CN(S(=O)(=O)N(C)C)C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] 1592038678 GFIRLZNKOAEKEL-UHFFFAOYSA-N 382.406 -0.014 5 20 GBBD O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([C@H](O)C(=O)O)CC1 1601512112 FZAISANBNVYBMO-AWEZNQCLSA-N 379.369 -0.062 5 20 GBBD NCC(=O)N1CCC(OC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1837135255 NDYABZRCGXQEMS-UHFFFAOYSA-N 394.432 -0.251 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 268842752 OYSBRTDCUQGHNY-CQSZACIVSA-N 397.457 -0.015 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCc2nncn2C1 366595900 WPQFNQSWHYQHAZ-LLVKDONJSA-N 394.413 -0.157 5 20 GBBD CNC(=O)Cn1cc(NC(=O)C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cn1 448484908 GPINCBJJZZNZSR-UHFFFAOYSA-N 389.372 -0.296 5 20 GBBD CN1CC[C@@](O)(CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 460218966 VUNIEGHUPQHIIO-OAHLLOKOSA-N 386.430 -0.266 5 20 GBBD Cc1nc(N2C[C@H](C)O[C@H](CO)C2)nc(N2C[C@H](C)O[C@@H](CO)C2)c1[N+](=O)[O-] 468736059 FPWLMJTXTUGKEL-VTPLQMEGSA-N 397.432 -0.135 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CC(=O)NC)CC1 531252840 USCNBZLAHKICBE-LBPRGKRZSA-N 381.437 -0.283 5 20 GBBD NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 532103598 XPNABMNQFHIRDV-NSHDSACASA-N 379.373 -0.578 5 20 GBBD COC(=O)c1cn([C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)nn1 544822896 ATKXUKKMLNOGRA-SNVBAGLBSA-N 376.329 -0.392 5 20 GBBD O=C(NCC(=O)N1CCN([C@H]2CCNC2)CC1)NCc1ccc([N+](=O)[O-])cc1 567387782 KDAMKFICEWTBLX-INIZCTEOSA-N 390.444 -0.100 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)CCN2C1=O 569260356 RJRMJYBASUZWDM-UONOGXRCSA-N 375.385 -0.976 5 20 GBBD O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)N1 597287870 RNFKVMCODPVORH-LBPRGKRZSA-N 375.341 -0.523 5 20 GBBD NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 597555129 ZTPBETOZBNCEII-KWBADKCTSA-N 382.398 -0.032 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598893658 BDQVDHUOJCHULV-GFCCVEGCSA-N 393.356 -0.394 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 600230225 QPQGCTGYDNIHTF-CQSZACIVSA-N 393.400 -0.129 5 20 GBBD O=C(NCc1nn[nH]n1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 609533094 WYZILTNQLQFMEO-JTQLQIEISA-N 395.401 -0.175 5 20 GBBD CS(=O)(=O)NC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 737167469 BELGBYWXCLDSNB-VIFPVBQESA-N 382.406 -0.065 5 20 GBBD Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc([N+](=O)[O-])cn1)c(=O)n2C 761982600 XEBXUWBYTBUTIB-UHFFFAOYSA-N 388.340 -0.016 5 20 GBBD CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 918679410 VFFUHFLPLUESDJ-UHFFFAOYSA-N 397.392 -0.618 5 20 GBBD O=c1c([N+](=O)[O-])cccn1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1607089616 DAEFRNCJJZMKTR-UHFFFAOYSA-N 377.342 -0.195 5 20 GBBD CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1786740397 ZWIBDKLZELKLBQ-GVXVVHGQSA-N 394.384 -0.131 5 20 GBBD O=C(CN1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792541080 DCEURWLDPHVYNY-DABQJJPHSA-N 392.416 -0.383 5 20 GBBD NS(=O)(=O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 265410931 DXDKVRTXFZCXGT-UHFFFAOYSA-N 378.432 -0.810 5 20 GBBD Cc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)CN2CCOCC2)ccc1[N+](=O)[O-] 273089853 RGDRJZYYOFFBEM-OAHLLOKOSA-N 394.428 -0.215 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C 274091311 RTKDUWINRSGOIJ-NSHDSACASA-N 392.411 -0.136 5 20 GBBD C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 512059058 QCEDCELRODBBLT-ZIAGYGMSSA-N 393.448 -0.165 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)CN2CCCNC2=O)c([N+](=O)[O-])c1 514498049 CKOTVFPPGXRDFA-UHFFFAOYSA-N 399.429 -0.058 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 546119071 KVEDMAJKWLSQRA-UHFFFAOYSA-N 387.418 -0.304 5 20 GBBD O=C(O)[C@@H]1C[S@](=O)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 548258302 XYLCLSGAKYTPQJ-DAOPMYJZSA-N 376.412 -0.015 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCNS(=O)(=O)c2cccs2)c1 566114280 FCDZPWUATJHNLR-LLVKDONJSA-N 375.432 -0.218 5 20 GBBD CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1 567663076 FXPBTIFEHSSSFX-UHFFFAOYSA-N 393.443 -0.171 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 591568638 RDFNXTSJPDRMBZ-ZDUSSCGKSA-N 379.325 -0.504 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCN1 597641968 FWALXBKQGHSGHG-AAEUAGOBSA-N 384.414 -0.154 5 20 GBBD CCN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 619803438 DPEBQUYVVJBWFT-ZDUSSCGKSA-N 399.429 -0.207 5 20 GBBD CCO[C@@H]1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@]12CCCO2 1323669207 RMOBSTBDQYDHIW-WOSRLPQWSA-N 381.389 -0.250 5 20 GBBD O=c1c(-c2nn[nH]n2)cn(CCO)c(=O)n1Cc1ccc(Cl)cc1[N+](=O)[O-] 1593494651 MUYACYVBXPGREX-UHFFFAOYSA-N 393.747 -0.208 5 20 GBBD O=C(c1cc(O)no1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779674539 ODXOHLAOLRECAN-OAHLLOKOSA-N 392.328 -0.231 5 20 GBBD C[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1781989547 LYUGAZACNFBFAR-NSODJVPESA-N 381.389 -0.174 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)[C@@H]1CCCO1 1800728565 GSHFKZZSPSDCSP-USZNOCQGSA-N 379.373 -0.300 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832122181 FQTKEATZPPIDSU-OHUAYANFSA-N 397.363 -0.254 5 20 GBBD CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794141 IQPZXVAKDWVLAZ-MRXNPFEDSA-N 397.388 -0.576 5 20 GBBD NC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 51893439 YKEYFTBACKSRQB-SNVBAGLBSA-N 388.283 -0.153 5 20 GBBD NCC1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 262293288 OWRXHEZMSYRNLS-UHFFFAOYSA-N 386.430 -0.255 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1)N1CCOCC1 267962980 TWWWEFNUUBBAEH-UHFFFAOYSA-N 392.368 -0.556 5 20 GBBD NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)O1 268351089 NHKIMWMUVLXMSY-WCBMZHEXSA-N 387.370 -0.323 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 269295188 RDBGIBMNZNKAHR-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD COC[C@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 288230369 ANQTYSSSIYLOTD-LLVKDONJSA-N 377.357 -0.039 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 468716051 FYUNHFAEMDFEPP-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD CN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 481535356 APHMCTUQJLPOKI-NSHDSACASA-N 399.429 -0.207 5 20 GBBD CS(=O)(=O)NCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 517453533 KYYPZJSDOCWDEK-UHFFFAOYSA-N 378.794 -0.357 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CC(=O)NC)CC1 531252839 USCNBZLAHKICBE-GFCCVEGCSA-N 381.437 -0.283 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 534100146 VOFRYJODQIHLHI-CFVMTHIKSA-N 388.446 -0.180 5 20 GBBD NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 561515557 FMHYWKXVCGARTJ-CQSZACIVSA-N 398.441 -0.077 5 20 GBBD CCC(CC)(NC(=O)C1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1)C(N)=O 572654705 JTEPOJVXABJEJB-UHFFFAOYSA-N 393.400 -0.625 5 20 GBBD O=C(N[C@H]1C[C@H](O)C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 598530068 NTEMDVJBGHIBAP-ZPFDUUQYSA-N 385.398 -0.642 5 20 GBBD CNC(=O)CN1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598587610 SRHMDNCCHNBBQS-UHFFFAOYSA-N 379.421 -0.156 5 20 GBBD CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1nn(C)cc1[N+](=O)[O-] 780360869 TUIHDNZZABZUMD-QMMMGPOBSA-N 375.363 -0.670 5 20 GBBD Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1320785834 DSNLAAJSPIOOLK-NRRJATNASA-N 379.398 -0.178 5 20 GBBD O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN2CCOCC2)CC1 32300883 JBFHAXRRZFCNDH-UHFFFAOYSA-N 392.412 -0.023 5 20 GBBD CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 51845459 MGWSKSKCGZMOHK-UHFFFAOYSA-N 388.402 -0.013 5 20 GBBD NC(=O)NCCCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57443745 BLNNDOZXQAVMPA-UHFFFAOYSA-N 387.418 -0.172 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 268802951 DZRLFNNKMHWNCQ-AWEZNQCLSA-N 397.457 -0.015 5 20 GBBD CC(C)NS(=O)(=O)NCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 276964362 DCBFHGWGAKERGP-UHFFFAOYSA-N 381.436 -0.514 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 377653230 XWMUYUVGIDOELD-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD O=C(N[C@H]1CCNC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 418343765 AUSLIQBBSUVERC-LBPRGKRZSA-N 383.430 -0.027 5 20 GBBD C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 423613377 VQLLAJKAVDZSDA-CYBMUJFWSA-N 389.412 -0.301 5 20 GBBD CN1C[C@@H](NC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O 473875623 JYTJHQFJNTYGQS-JTQLQIEISA-N 399.429 -0.060 5 20 GBBD C[C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1 542609441 JTAKZGHREHVHRY-WDEREUQCSA-N 384.414 -0.096 5 20 GBBD CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 589101687 IKJCMSGKSSDMGS-GFCCVEGCSA-N 388.446 -0.050 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[C@@]1(O)CCOC1 593811996 GEMLRHILBLPHGT-OAHLLOKOSA-N 387.414 -0.079 5 20 GBBD O=[N+]([O-])c1cncc(Cl)c1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 596177686 NTOYOGUDIOQCJD-RYUDHWBXSA-N 376.822 -0.077 5 20 GBBD O=C(NCCC(=O)N1CCO[C@H](c2nn[nH]n2)C1)c1ccc([N+](=O)[O-])cc1 732091120 RYSYBWZZUYZGMU-LBPRGKRZSA-N 375.345 -0.172 5 20 GBBD O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 789851309 ZGDQAACQBBAGGO-UHFFFAOYSA-N 384.349 -0.001 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](CO)O1 839212444 WZGRYBDBFFFQOI-BBRMVZONSA-N 392.412 -0.148 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 1329390175 WQUMGRZBZWUQHV-ZIAGYGMSSA-N 391.432 -0.154 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)no1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010331 LHTJDLUNIFIQEI-IJBDUVHLSA-N 392.328 -0.472 5 20 GBBD CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800540141 BDHFMNLITILTGV-GNXNZQSNSA-N 394.388 -0.953 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844410814 SVJWUPJDUHRMSF-JTQLQIEISA-N 399.429 -0.184 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 264200636 QIMDHWZDPMHANV-CABCVRRESA-N 399.425 -0.412 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 272314401 ZVGGKEZUEBBERS-KOLCDFICSA-N 383.382 -0.079 5 20 GBBD O=C1O[C@H]2C[C@H]1N(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 297082294 DXXBUDZPJSMWKN-CMPLNLGQSA-N 384.370 -0.418 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 371870041 MPCYCLVUQMAOAM-UHFFFAOYSA-N 375.345 -0.120 5 20 GBBD CCOC(=O)[C@@H]1NCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 422933183 HKDQZPQRQZSYOB-ZIAGYGMSSA-N 386.430 -0.244 5 20 GBBD CNCCCN(C)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 423397646 URNZZQXHJXSBGI-UHFFFAOYSA-N 391.428 -0.053 5 20 GBBD Cc1c(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] 471317490 PFSYWPDYBKCFMJ-CVEARBPZSA-N 397.453 -0.252 5 20 GBBD COc1c(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] 475604878 QBMFJUCJGAWFKP-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)cc1[N+](=O)[O-] 541130938 FWADNSDDVMIWBZ-UHFFFAOYSA-N 376.329 -0.189 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(S(=O)(=O)N2CCNCC2)C1 566067487 HQTVDLOHUXHSCL-UHFFFAOYSA-N 384.414 -0.581 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 569237894 MROVWVANIUNSOP-UTUOFQBUSA-N 379.421 -0.402 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)S(N)(=O)=O 776817809 RGCWOAWNMBLGJB-QMMMGPOBSA-N 382.420 -0.134 5 20 GBBD CCc1[nH]nc(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c1[N+](=O)[O-] 795617143 ZWCZOWBHRDIADN-UHFFFAOYSA-N 377.317 -0.489 5 20 GBBD C[C@@H]1CN(S(=O)(=O)N2CCN(Cn3nccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 917428306 RTGNPVOPISIMFF-CHWSQXEVSA-N 388.450 -0.280 5 20 GBBD C[C@@H](O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCO1 1589996056 PQOAHTYCDZRLPN-KCJUWKMLSA-N 384.374 -0.455 5 20 GBBD O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])o2)C3)CN1 1800519911 FKTFKEANVWKTEE-YYHMBLRTSA-N 392.368 -0.473 5 20 GBBD C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1800751669 SZKDUIGFNSDWCV-ADGXKJENSA-N 379.369 -0.116 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839769777 TTXVKXMTWRUKIE-XMZIXOGTSA-N 397.363 -0.254 5 20 GBBD COC[C@H](O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 265466910 OKDLZQDEMYPCOY-GFCCVEGCSA-N 388.446 -0.050 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 274080137 QQAWVTCHPYQGKK-LLVKDONJSA-N 378.384 -0.445 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 276209302 KZSFRGYDMPKCGG-KBPBESRZSA-N 384.414 -0.595 5 20 GBBD Cc1c(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)cccc1[N+](=O)[O-] 277032166 CVHGBXZYQJENHA-UHFFFAOYSA-N 387.418 -0.210 5 20 GBBD C[C@@H]1OCC[C@@]1(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 279348802 CFUJTKUAGAPMLR-XHDPSFHLSA-N 387.414 -0.129 5 20 GBBD O=C(c1cc([N+](=O)[O-])[nH]n1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 286421119 KNCIPQSSPPNWTB-UHFFFAOYSA-N 388.388 -0.093 5 20 GBBD CN(C)C(=O)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 299237358 JBCJJJXBOCCVAX-UHFFFAOYSA-N 387.418 -0.361 5 20 GBBD CN(CC(=O)N1CCc2nn[nH]c2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 469422304 NFERTVKDEJTXRZ-UHFFFAOYSA-N 380.386 -0.082 5 20 GBBD C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C 519532500 SXWFBGFMDBZYCN-GFCCVEGCSA-N 379.417 -0.103 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 565183730 ZBLISBCXGQLZHP-LBPRGKRZSA-N 394.432 -0.129 5 20 GBBD O=C(COC1CCNCC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 570713866 BCYZLUQYCAFISZ-UHFFFAOYSA-N 386.430 -0.242 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cn(C)c(=O)n(C)c1=O 590552740 VOZUPQIJUITMKS-SECBINFHSA-N 375.341 -0.251 5 20 GBBD CN(CC(=O)N[C@@]1(C(=O)O)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 595997271 JXXYHIPNOJPIPL-AWEZNQCLSA-N 387.370 -0.425 5 20 GBBD CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 609938260 WWRSFLGACXNUQV-SNVBAGLBSA-N 382.373 -0.267 5 20 GBBD CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 734971810 BAEKFSQMYKGGEP-UHFFFAOYSA-N 388.383 -0.300 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H](C)S(N)(=O)=O 782037715 LPNNSSBERPXKSR-MRVPVSSYSA-N 375.359 -0.412 5 20 GBBD CCn1ncc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 858660778 FZYLXBCNFUNSGT-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD Cn1cc(S(=O)(=O)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 916821960 VKMJLUNACMTURN-UHFFFAOYSA-N 395.353 -0.441 5 20 GBBD CN1CCN(CCNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1(C)C 1117553233 NCMUESIIUYJNJQ-UHFFFAOYSA-N 381.437 -0.950 5 20 GBBD COCC(=O)N1CCN(c2nnc(-c3cnc(O)c([N+](=O)[O-])c3)n2C)CC1 1518854092 KPYREDLKJIIFIC-UHFFFAOYSA-N 377.361 -0.214 5 20 GBBD CCOC(=O)N1CCN(C(=O)[C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CC1 1590767887 BZSPQSVPSYIGOX-SECBINFHSA-N 393.364 -0.167 5 20 GBBD O=C(O)CN1CCC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 1606236656 PCNZXHVDIGDCEW-UHFFFAOYSA-N 392.368 -0.015 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN=c1cc[nH]cc1-c1nn[nH]n1 1609603536 LLHMPLFKYLSWHF-UHFFFAOYSA-N 390.385 -0.018 5 20 GBBD O=[N+]([O-])c1ccc(OCCN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 270830921 CTQSCCKJXFXUKN-HZPDHXFCSA-N 385.442 -0.251 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 273556778 MWFFQGIJDKXCFI-GXSJLCMTSA-N 387.370 -0.307 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)c(C)c([N+](=O)[O-])c1 276821414 FOMGRTPYGYHDBS-JTQLQIEISA-N 378.341 -0.025 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 376771904 ITSBKTAPHWVXMN-ZWNOBZJWSA-N 384.414 -0.007 5 20 GBBD CNS(=O)(=O)CCCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421033285 XMVSAIWDPLAOLW-UHFFFAOYSA-N 394.475 -0.256 5 20 GBBD CNS(=O)(=O)c1ccc(NC[C@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])c1 508376801 QHVBCUPIAHVKKM-VIFPVBQESA-N 379.416 -0.272 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)OC 516878451 KWAYFKZXSNEJNR-ONGXEEELSA-N 388.354 -0.322 5 20 GBBD CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)O)ccc2[N+](=O)[O-])CCO1 573211357 MVPNUWUQPVNYAJ-LLVKDONJSA-N 387.370 -0.181 5 20 GBBD CCOC(=O)C[C@@H](O)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 593670605 VZBFSZRAVGKRQN-CYBMUJFWSA-N 377.357 0.380 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2c(O)nnc2C1 596566577 FELBNQPWRLCSLC-UHFFFAOYSA-N 396.385 -0.109 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)n1 599226717 XYFNLXJRJDDFCW-UHFFFAOYSA-N 395.401 -0.667 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCO[C@H](CNC(=O)NC)C1 600230287 RVWDYMKGFYAQME-VXGBXAGGSA-N 397.436 -0.016 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O 609912566 MBODMEWVBATNLX-XXFAHNHDSA-N 375.341 -0.476 5 20 GBBD COC[C@@H](C)S(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 733722366 XDVOLVJGYUWJDB-SECBINFHSA-N 387.370 -0.199 5 20 GBBD Cc1c(C(=O)OCCn2cnc([N+](=O)[O-])n2)cnc2c1c(=O)n(C)c(=O)n2C 748876050 AUPKCMWNUPIPRW-UHFFFAOYSA-N 389.328 -0.703 5 20 GBBD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCCn1ccc([N+](=O)[O-])n1 786365201 GYJQFGIPEWJJRG-JYILRKAJSA-N 378.341 -0.113 5 20 GBBD O=C(NCC1CN(C(=O)C2(Cc3cnn[nH]3)CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1578002455 WXKFWVIFAPGXHL-ZIAGYGMSSA-N 392.416 -0.616 5 20 GBBD Cn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383392 OTIKPSQSVYGGGI-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD Cn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)n1 1794789130 DWQRRHXIFHQJSA-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840025372 FAMZSPDBCSCSGP-BZNIZROVSA-N 382.373 -0.626 5 20 GBBD Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)ncc1[N+](=O)[O-] 1845065840 WQUNYLBMKFNZED-JSGCOSHPSA-N 389.412 -0.162 5 20 GBBD CN1C[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 267716507 SROPVAXVIKVFKG-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD C[C@H](C[S@@](C)=O)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273110164 QBTVXNLJXRPASL-VKTRGTBVSA-N 392.459 -0.061 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 274673922 KJSKLXPMQPHIJQ-CABCVRRESA-N 383.426 -0.561 5 20 GBBD CO[C@H]1COC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 291091761 YYHZZPXYKCBDMO-STQMWFEESA-N 388.402 -0.414 5 20 GBBD Cc1c([N+](=O)[O-])cc(C(=O)O)cc1S(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 368622598 NMDKGRKPLZHXFE-JTQLQIEISA-N 384.370 0.000 5 20 GBBD Cc1[nH]c(=NC[C@@]2(C)CCC(=O)N2)[nH]c(=NC[C@@]2(C)CCC(=O)N2)c1[N+](=O)[O-] 413330743 AWQGQDCITGMUNV-IAGOWNOFSA-N 391.432 -0.302 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] 416429603 WGAWKANUMIBMQM-QPUJVOFHSA-N 387.370 -0.307 5 20 GBBD O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 536640092 UYLJLULJMNJUCU-ZDUSSCGKSA-N 399.429 -0.365 5 20 GBBD COC(=O)c1cn(C2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nn1 544759651 OHECPOGLCXJJOC-ZDUSSCGKSA-N 379.377 -0.133 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 569961584 QNEHLDFETPHRFJ-JSGCOSHPSA-N 390.466 -0.597 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1=O 593559207 YEEHZSWQLFMHJT-OTYXRUKQSA-N 383.386 -0.011 5 20 GBBD CO[C@@](C)(C(=O)O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 595989393 ONZBCQOTFGTPHT-CYBMUJFWSA-N 375.359 -0.521 5 20 GBBD CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1345203605 IJQQNNPEHZYXKN-CQSZACIVSA-N 395.464 -0.703 5 20 GBBD CN(CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)CC(=O)O 1606132710 BDRBUYXVJPHRSM-UHFFFAOYSA-N 378.341 -0.006 5 20 GBBD O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CN1 1841112365 YBIBPXGBDDRQRD-JTQLQIEISA-N 376.373 -0.339 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 23400649 PCSFQHVBTRFXFY-NSHDSACASA-N 387.370 -0.344 5 20 GBBD Nc1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1[N+](=O)[O-] 265592722 LCWKJGUTTGMDEA-ZDUSSCGKSA-N 377.401 -0.160 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1O 274642064 FOPNJOOSYINXQE-QWHCGFSZSA-N 385.398 -0.472 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3C[C@@H](O)[C@H](O)C3)c([N+](=O)[O-])c2)CC1 277322703 DGWWXXHHMPHGMI-HUUCEWRRSA-N 386.430 -0.927 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 299616383 DASCXVQVEYEFNA-UHFFFAOYSA-N 380.357 -0.408 5 20 GBBD Cn1c(N)c(C(=O)CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(=O)n(C)c1=O 373246994 XWAFJRSJVIQVLL-UHFFFAOYSA-N 391.388 -0.709 5 20 GBBD Cc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 426662868 HQTVFLVCAXAMCP-WRWORJQWSA-N 391.427 -0.286 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)COC3CNC3)CC2)c([N+](=O)[O-])c1 429765504 KYUSZKRNPMQYIY-UHFFFAOYSA-N 398.441 -0.365 5 20 GBBD CN(CC(=O)NC[C@](C)(O)C(=O)O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 471455951 VNNRFTVLYDEVEU-ZDUSSCGKSA-N 375.359 -0.833 5 20 GBBD CNC(=O)Cn1cc(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cn1 498394463 CZDQFHQBOJAFCL-UHFFFAOYSA-N 389.372 -0.025 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 541655764 QYIHVJGGIHOPGJ-JTQLQIEISA-N 376.412 -0.081 5 20 GBBD COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 573430115 KAQSKNLVQQRPPF-CYBMUJFWSA-N 387.414 -0.112 5 20 GBBD O=C(C(=O)N1C[C@H]2CCNC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 574868568 BTJOHTYHWWVJAX-ZIAGYGMSSA-N 388.428 -0.294 5 20 GBBD Cn1ncnc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 596428783 HVSGAGXQBKMODS-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD COC(=O)c1cc(C)nc(N2CCOC[C@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] 599185821 UWIGZKIVDCWQKN-SNVBAGLBSA-N 388.402 -0.161 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCC[C@H](NC(C)=O)C2)c1 603912680 VWVODIAKJGRHHS-LBPRGKRZSA-N 380.357 -0.330 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCN(CCN2CCOCC2)C1 609668297 MPHPWRCSMYQCTH-AWEZNQCLSA-N 379.417 -0.721 5 20 GBBD O=C1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1 726848024 FPIKDYOJZOONLV-UHFFFAOYSA-N 385.402 -0.595 5 20 GBBD CN(C)S(=O)(=O)N1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 794615961 BIADINHLFFKCQQ-UHFFFAOYSA-N 385.402 -0.116 5 20 GBBD O=C(NCCNC1CC1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1325429125 WMLWRJBDWIXIFO-UHFFFAOYSA-N 389.412 -0.253 5 20 GBBD CN(CCCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1347333745 ABOXORDSBIDCRC-UHFFFAOYSA-N 386.430 -0.349 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCn3nncc3C2)c1-c1nn[nH]n1 1582804911 RDSXXFVAHIXSCK-UHFFFAOYSA-N 391.373 -0.039 5 20 GBBD COC[C@@]1(C(=O)O)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 1593972831 IEAJHGOWOJMETK-MRXNPFEDSA-N 381.341 -0.347 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840965912 UXPVHMOJFGCFJC-JTQLQIEISA-N 379.373 -0.402 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 32406430 KUNCNHZNMSBYJW-JTQLQIEISA-N 387.370 -0.344 5 20 GBBD O=[N+]([O-])c1cccc(OCCN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 269920018 UIZUICLRNAYWLL-HOTGVXAUSA-N 385.442 -0.251 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 283639032 XGOKBPLVFPIITE-UHFFFAOYSA-N 394.431 -0.626 5 20 GBBD CCC[C@H](O)[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 414022575 QWCWLDMFHPEBRM-JQWIXIFHSA-N 375.403 -0.489 5 20 GBBD CO[C@@H]1COC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 457978808 YYHZZPXYKCBDMO-QWHCGFSZSA-N 388.402 -0.414 5 20 GBBD O=C(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)NCCN1CCOCC1 520305415 HBUDKLBQOIGXIS-UHFFFAOYSA-N 376.373 -0.351 5 20 GBBD COc1ccc(C(=O)NCC(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1[N+](=O)[O-] 531198254 GROJRHMWIWGIKE-LLVKDONJSA-N 392.368 -0.015 5 20 GBBD COCCN1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O 558745591 KSAHPEVXFFQTMV-UHFFFAOYSA-N 379.373 -0.331 5 20 GBBD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 571003740 ZRZZFFPXJOINJM-CHWSQXEVSA-N 392.416 -0.014 5 20 GBBD COc1c(F)cc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 580347181 OBMQROQCXBGWRC-LBPRGKRZSA-N 398.390 -0.430 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCNC1=O 590915626 PAMNNIIXIJKYOQ-LLVKDONJSA-N 399.429 -0.302 5 20 GBBD C[C@@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 746596791 SHSGITLFTPFKMY-MNOVXSKESA-N 388.402 -0.241 5 20 GBBD COC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC 826152456 ZVAMZLPJSJDADH-SSDOTTSWSA-N 386.346 -0.759 5 20 GBBD CN(C)CCONC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 833860072 YSHYWHAGPGDNRE-UHFFFAOYSA-N 375.407 -0.346 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383426 MFTPCIZZWSHTSK-MGPLVRAMSA-N 394.388 -0.727 5 20 GBBD COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837793860 DWCATLIAHZZEFG-HNNXBMFYSA-N 383.361 -0.966 5 20 GBBD O=C1OCCN1CC(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1841484076 DUIANMQRVCFQFD-UHFFFAOYSA-N 378.345 -0.413 5 20 GBBD CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 105706119 NRDGEAZFQXGCPE-ZDUSSCGKSA-N 395.416 -0.672 5 20 GBBD NC(=O)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1I 227866147 MLKRKNXFTHMPPA-MRVPVSSYSA-N 379.110 -0.225 5 20 GBBD COC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCNCC1 262629760 SRWHWOWXMXQASI-UHFFFAOYSA-N 386.430 -0.242 5 20 GBBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCCN1C(=O)CNC1=O 264628500 UHLOVYSSXSOHNB-UHFFFAOYSA-N 377.313 -0.439 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 281421378 KJSDHRSINBAQMP-NSHDSACASA-N 394.384 -0.016 5 20 GBBD CNC(=O)CN1CCN(c2ccc(C(=O)NCC(=O)OC)cc2[N+](=O)[O-])CC1 298189561 LIKIQEXDWXOUNV-UHFFFAOYSA-N 393.400 -0.634 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CNC[C@@H]2C1 417265374 BCQJSSAUCARNBC-TXEJJXNPSA-N 383.430 -0.266 5 20 GBBD O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCN1CCNCC1 418805084 HOIKYFLFRFMBOH-UHFFFAOYSA-N 383.836 -0.072 5 20 GBBD C[C@@](O)(CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 474561308 UCPAYZDPEPBHDS-QGZVFWFLSA-N 380.401 -0.476 5 20 GBBD NC(=O)N1CCN2C(=O)N(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 521479132 WKYIKGAWKUKHIW-AAEUAGOBSA-N 393.356 -0.638 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 525175009 SXAUOBLMBSPYEQ-UHFFFAOYSA-N 396.472 -0.353 5 20 GBBD C[C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1 544508422 HTHDAJLDIAOPRU-WDEREUQCSA-N 384.414 -0.096 5 20 GBBD CNC(=O)CN(C)CC(=O)Nc1cc(N(C)CC(=O)NC)ccc1[N+](=O)[O-] 551743279 GFEKUOWADOGWRS-UHFFFAOYSA-N 380.405 -0.607 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 574340310 YRMDNHYOJIGWEK-ZYHUDNBSSA-N 383.430 -0.407 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)c1nc(N)nc(N2CCOCC2)n1 576471135 ZXMMLEOHJGWGFH-UHFFFAOYSA-N 389.372 0.137 5 20 GBBD Cc1ccc(NCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)c([N+](=O)[O-])c1 580294389 WVNPIDVQNNOPSX-AWEZNQCLSA-N 392.460 -0.077 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(C)c1[N+](=O)[O-] 598610095 WTMCQFZZBKZTLK-NSHDSACASA-N 382.398 -0.457 5 20 GBBD O=C(CN1CCCNC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609737004 TVNIFXVRDHTKFE-UHFFFAOYSA-N 385.402 -0.595 5 20 GBBD C[S@](=O)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 735101720 GIZZZCLTEKGWRD-QHCPKHFHSA-N 378.432 -0.449 5 20 GBBD CO[C@@H](C)CS(=O)(=O)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 764175541 XLVQUJLVEZWKQL-JTQLQIEISA-N 388.402 -0.125 5 20 GBBD C[C@@H](CNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)S(N)(=O)=O 781968547 FPKGMTGLHIGGMG-ZETCQYMHSA-N 378.794 -0.342 5 20 GBBD COCCNC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 821691332 QOWCHCSZHWZCQJ-UHFFFAOYSA-N 391.392 -0.946 5 20 GBBD CN1CCO[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 826044818 KYYMZLODIDYSIA-VIFPVBQESA-N 383.390 -0.616 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCN(CCO)CC2)c1-c1nn[nH]n1 826500360 VRHCKBWYKNVOQF-UHFFFAOYSA-N 397.417 -0.536 5 20 GBBD Cc1nn(CC(=O)N(CCO)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)n1C 861405379 LVARRBKFXMXMDY-UHFFFAOYSA-N 399.385 -0.992 5 20 GBBD CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N 863552632 UUTGBKXPYYSHRQ-MRVPVSSYSA-N 376.366 -0.294 5 20 GBBD CS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 920592712 OWBKMQSLVCXMSZ-UHFFFAOYSA-N 385.398 -0.169 5 20 GBBD CCn1cc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 1333361266 VNROVRDMJQIJAQ-UHFFFAOYSA-N 388.388 -0.434 5 20 GBBD CN(CC1(O)CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1604723198 SZFALZQECKLTMP-UHFFFAOYSA-N 398.401 -0.063 5 20 GBBD CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1841585534 NAQUZCANLBFJDW-UHFFFAOYSA-N 385.402 -0.430 5 20 GBBD CNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 16520165 GTLQJDGEXIRJAY-NSHDSACASA-N 399.429 -0.255 5 20 GBBD CCS(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 52088773 WTWANIXYMGZATO-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD CS(=O)(=O)NCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 264500835 IJFXXLTYECVDJI-UHFFFAOYSA-N 392.459 -0.550 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1O 269123109 JTQMVCQKGYDMJC-WCQYABFASA-N 385.398 -0.472 5 20 GBBD NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCSC2=O)c([N+](=O)[O-])c1 270497843 TULWQDAMKUXVFW-MRVPVSSYSA-N 375.384 -0.231 5 20 GBBD C[C@H](O)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 271103536 QGMZJPLJLOUAGL-LBPRGKRZSA-N 388.446 -0.002 5 20 GBBD CNC(=O)[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 272769668 MAJZJNQHFJFIMF-GFCCVEGCSA-N 387.370 -0.499 5 20 GBBD COC(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C(=O)OC)C1 272771189 ZTHSBNBLBTWTOE-CMPLNLGQSA-N 381.341 -0.290 5 20 GBBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 276182144 AUWQENTVLPRFSH-KBXCAEBGSA-N 390.396 -0.043 5 20 GBBD CCOc1cc(N2CCN(C(=O)[C@@H](CO)NC(N)=O)CC2)ccc1[N+](=O)[O-] 279779777 IOCWSVHGOPKIRQ-GFCCVEGCSA-N 381.389 -0.329 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N(C)CC(N)=O)cc1[N+](=O)[O-] 289946022 PXSKPENZULMPOP-UHFFFAOYSA-N 387.418 -0.363 5 20 GBBD Cn1nc2c(cc1=O)CN(C(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)CC2 465387499 IUZQIVWHWJRCSV-UHFFFAOYSA-N 397.347 -0.131 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 501207575 SNNUZGSDNAOHKO-GFCCVEGCSA-N 380.405 -0.667 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 525707707 DURJNLRRAKEVOP-UHFFFAOYSA-N 392.459 -0.591 5 20 GBBD Cc1cc(C(=O)NCC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] 563310847 NANFTHONENMXHS-LBPRGKRZSA-N 384.414 -0.217 5 20 GBBD CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](O)C(N)=O 590537129 AQLKIGHJGQCWAZ-NWDGAFQWSA-N 384.414 -0.591 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 592910270 SUOOQOHNUJTIBA-NEPJUHHUSA-N 395.368 -0.284 5 20 GBBD CCn1cc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 595756411 GEBNOZJCXWGXGQ-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 599488989 LNFSOAUYVGNJLK-UHFFFAOYSA-N 378.432 -0.151 5 20 GBBD O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NCCN1CCOCC1 732157770 GGQUVEUJJJKGTG-UHFFFAOYSA-N 381.345 -0.319 5 20 GBBD Cc1cnn(C)c1S(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 813991009 ZWLYARQXXOAELP-UHFFFAOYSA-N 381.370 -0.128 5 20 GBBD O=C(CSc1nnnn1C1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893297 OTPGEHGOLRRFBU-UHFFFAOYSA-N 385.387 -0.092 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCOC(=O)N1 862016121 DAAYDHWFYVSHNL-GFCCVEGCSA-N 386.386 -0.170 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1325130495 SJZFBNMYVOJVNZ-UHFFFAOYSA-N 395.416 -0.995 5 20 GBBD O=C1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)N1 1779378631 FLADODQPAFGTGI-MGPLVRAMSA-N 392.372 -0.960 5 20 GBBD CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4[N+](=O)[O-])[C@H]3C2)C1 1788812948 AIHZQJBSDLZNSE-JKOKRWQUSA-N 392.416 -0.527 5 20 GBBD O=C(c1cnc(O)nc1O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411687 UTCPTYBYHUCTCH-UHFFFAOYSA-N 389.328 -0.350 5 20 GBBD CCCNC(=O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 52551287 CSLCNEXHNFKJQG-UHFFFAOYSA-N 387.418 -0.313 5 20 GBBD CC[C@@H](C)[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCCN1CCOCC1 264813331 YJPBNGUIVZMLCZ-CZUORRHYSA-N 396.448 -0.229 5 20 GBBD COCCN1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CC1=O 282279449 BCGIKBUSFNAYFG-UHFFFAOYSA-N 387.370 -0.182 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 282925163 ODOZEDLKIMTQSN-UHFFFAOYSA-N 388.402 -0.166 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 299571659 GZOVJAZGYVDFOH-CHWSQXEVSA-N 399.425 -0.049 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)nn1 375554299 ZWTWYGAQTLHDJU-UHFFFAOYSA-N 393.747 -0.039 5 20 GBBD CC(C)[C@H](N)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419971655 FGOYOXBXMGZARW-OAHLLOKOSA-N 391.428 -0.021 5 20 GBBD O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCCS1(=O)=O 567805469 FSXRWXKDSJBPMG-UHFFFAOYSA-N 393.399 -0.393 5 20 GBBD NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 584737530 NNMQHECOBGGDAR-KBPBESRZSA-N 396.425 -0.061 5 20 GBBD O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc12)C1=NN2CCCN=C2N1 597587406 SNTBUJXUKRLVIW-UHFFFAOYSA-N 397.399 0.435 5 20 GBBD O=C(O)[C@@H]1C[S@@](=O)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 776716192 OFQDXTFWBBGVBD-MYODQAERSA-N 376.412 -0.015 5 20 GBBD COC(=O)C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 778306634 YLJBUTUPOXHEAG-SECBINFHSA-N 388.354 -0.063 5 20 GBBD CCCN(CC(=O)NC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 821087509 CEBDZZYRCAKFCC-UHFFFAOYSA-N 383.390 -0.078 5 20 GBBD C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)S(C)(=O)=O 824426745 HGRLKEPYDVPIFP-SSDOTTSWSA-N 390.403 -0.514 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1c(F)ccc([N+](=O)[O-])c1C 850606053 OFXVZWBEOMAPRX-KOLCDFICSA-N 389.361 -0.091 5 20 GBBD CN(CCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)S(C)(=O)=O 1328136640 NPOYIMKVHIFDKH-UHFFFAOYSA-N 398.441 -0.123 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1781934369 DYUWSKPZGPRKAW-MRXNPFEDSA-N 381.341 -0.945 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2)C(O)O 1792801067 VZLWXQFRRIPIJW-QHBPRCKVSA-N 397.359 -0.823 5 20 GBBD O=C(Cc1cnc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1796331449 OVUVNWFLCLTGJZ-DDFAGTSDSA-N 389.372 -0.513 5 20 GBBD C[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835869617 LRHSPDBCFHXQNR-NSHDSACASA-N 394.432 -0.116 5 20 GBBD Nc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] 267290227 ZHQFXJDGTXDIDN-DGCLKSJQSA-N 384.414 -0.595 5 20 GBBD O=C(CNC[C@H]1CCCO1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 269275597 ZTYYVPFPXIJQRG-CYBMUJFWSA-N 386.430 -0.242 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 275253755 IWDDTFMHAKKYBE-GFCCVEGCSA-N 399.381 -0.877 5 20 GBBD CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 279751487 ALVLYKHHSDLEQB-UHFFFAOYSA-N 378.305 -0.064 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCO2 290260206 XMECNPNPTYOHAR-UHFFFAOYSA-N 381.370 -0.108 5 20 GBBD O=C(NCC1(O)CCC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 378615578 JWALRSWQDHLHIF-YPMHNXCESA-N 399.425 -0.250 5 20 GBBD O=C(N[C@@H]1CCNC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 418343764 AUSLIQBBSUVERC-GFCCVEGCSA-N 383.430 -0.027 5 20 GBBD NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 552832036 MTTSTMPWBJPZOS-NEPJUHHUSA-N 396.425 -0.061 5 20 GBBD N[C@H]1C[C@@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O 573698861 FNTLWUZMHLOJDH-ZJUUUORDSA-N 377.357 -0.494 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 1261722906 IVTZMYSITQDZJR-AAEUAGOBSA-N 385.398 -0.519 5 20 GBBD C[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778064284 ZOKZRNJRIVFKES-GLKRBJQHSA-N 381.389 -0.174 5 20 GBBD CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1843336626 RGKDKKKRKMSSQR-VIFPVBQESA-N 379.377 -0.418 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CNC3)CC2)cc1[N+](=O)[O-] 262278044 VDESKJAUJLUXBU-UHFFFAOYSA-N 384.414 -0.344 5 20 GBBD O=C(CN1CSCC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265280476 RDKPRLXHIXBSCU-UHFFFAOYSA-N 388.427 -0.478 5 20 GBBD O=C(NCCNC(=O)c1ccn[nH]1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 272629259 YKVONYCNWBJQGY-KBPBESRZSA-N 392.372 -0.559 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 276232639 KUUGRICHPAGYFK-UHFFFAOYSA-N 389.372 -0.721 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 279268697 RLXHHOUNIUZPSG-GFCCVEGCSA-N 384.414 -0.217 5 20 GBBD CCOC(=O)[C@](C)(O)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 478596528 AJEVWMAYTYYFRA-MRXNPFEDSA-N 382.373 -0.176 5 20 GBBD CN(C)C(=O)COC1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 482249195 VHMQFNBOYWZGHK-UHFFFAOYSA-N 392.368 -0.364 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1=O 569809030 FKAABAGXMQVUEK-UHFFFAOYSA-N 375.385 -0.456 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 596749748 SDHQCNPGBNVFNV-NEPJUHHUSA-N 387.418 -0.050 5 20 GBBD NCCCOCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 599966905 NSABIWSLNJINCL-UHFFFAOYSA-N 380.405 -0.880 5 20 GBBD CS(=O)(=O)NCCOC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 730601750 CQPURMOHQKOVAK-UHFFFAOYSA-N 395.415 -0.644 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 748117145 DXEDNHMUTSLNAZ-WDEREUQCSA-N 386.386 -0.630 5 20 GBBD O=C(O)Cn1cc(CCOC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)nn1 833271548 HHNBLAHEDGVLOJ-UHFFFAOYSA-N 391.296 -0.035 5 20 GBBD CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1117551556 ATDLJODPACJHBS-CQSZACIVSA-N 382.421 -0.620 5 20 GBBD CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1345171316 RTSYQEOUXMASIH-UHFFFAOYSA-N 378.389 -0.767 5 20 GBBD Cn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)nn1 1592564752 NRJUGUZKLUFRPP-UHFFFAOYSA-N 384.360 -0.134 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1782098710 PXLRWBAKGBSHQB-KRWDZBQOSA-N 395.368 -0.637 5 20 GBBD CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1783962916 XINOJRVPKSDQCL-DJIHRAIXSA-N 381.389 -0.318 5 20 GBBD O=C(Cn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1795887689 CTKQTPCQYYEWJL-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)=O)C3)n1 1796719195 SFKLCHJUHFWOMO-GNXNZQSNSA-N 392.368 -0.209 5 20 GBBD CN(C)C(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798685577 YDUQWXPPTYYIKM-JGPRNRPPSA-N 393.404 -0.159 5 20 GBBD O=C(NCCS(=O)(=O)N1CCSCC1)c1cnc(O)c([N+](=O)[O-])c1 274988627 RDEYLJSTUHATOP-UHFFFAOYSA-N 376.416 -0.196 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCNS(C)(=O)=O)c(C)c1[N+](=O)[O-] 276873949 RPEHHUDOVIZHED-UHFFFAOYSA-N 396.403 -0.053 5 20 GBBD N[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 423619884 WBVOUZAYULJOBM-GFCCVEGCSA-N 375.385 -0.561 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424396280 QCRWRVJKDSSLTG-GFCCVEGCSA-N 387.370 -0.003 5 20 GBBD NC(=O)c1cccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 439103667 WNTYWIALGLVADG-UHFFFAOYSA-N 391.384 -0.799 5 20 GBBD NS(=O)(=O)CCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 471040559 JXNFEMOVXJOSRM-AWEZNQCLSA-N 388.446 -0.759 5 20 GBBD CC(=O)N1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 499169044 RHZUTIZRRLMCFW-GFCCVEGCSA-N 384.414 -0.142 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 533180222 FMWSMLHTKZUFIX-NXEZZACHSA-N 395.463 -0.193 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])C1 568006924 WTVONJOKLHKWCQ-SECBINFHSA-N 393.399 -0.395 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@](O)(CC(N)=O)C1 591674881 ZBFKTQHTRHAHAY-APPDUMDISA-N 378.385 -0.058 5 20 GBBD COc1ccc(NC(=O)[C@H](C)OC(=O)CNC(=O)CNC(C)=O)c([N+](=O)[O-])c1 919507195 KQQYQJOVZXLPLV-VIFPVBQESA-N 396.356 -0.274 5 20 GBBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN2C(=O)NC[C@H]2C1 1117352736 YXFKYHLNJBBGAE-LBPRGKRZSA-N 377.357 -0.674 5 20 GBBD O=C(O)COCC(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1602077481 KYYOXHDBAFQDCG-UHFFFAOYSA-N 381.341 -0.112 5 20 GBBD CC(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788809714 JYHDMFPHWZVHCP-UHXUCMFUSA-N 395.416 -0.072 5 20 GBBD C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1789878338 KHPCZBOYVVBVOM-MNXVOIDGSA-N 393.400 -0.349 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2)c1n[nH]cc1[N+](=O)[O-] 1798012008 KYKMJXGBAHYETJ-HNCHTBHHSA-N 379.373 -0.442 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847170313 BANGKXILRCYRQB-MKBNYLNASA-N 394.384 -0.346 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848164551 PAJUBGGIXVFFLQ-BPNCWPANSA-N 378.389 -0.482 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCN(CC(N)=O)CC2)c([N+](=O)[O-])c1 43930358 MFJSJGIPQHSFNR-LLVKDONJSA-N 393.400 -0.507 5 20 GBBD COc1ccc([C@]2(C)NC(=O)N(NC(=O)Cn3cnc([N+](=O)[O-])n3)C2=O)cc1 53835806 QFNLNDXYMGKRDB-HNNXBMFYSA-N 389.328 -0.307 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(S(=O)(=O)NCCN)c1 262507333 IGJXGJUGUMXWJF-UHFFFAOYSA-N 382.402 -0.025 5 20 GBBD CCc1[nH]nc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 263718052 XLKXHJHDOMHBRM-UHFFFAOYSA-N 380.405 -0.503 5 20 GBBD CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)NC1=O 265658636 QLJAQFSNKKWHOY-LBPRGKRZSA-N 398.397 -0.521 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2C(=O)NC[C@H]2C1 280925307 JXHIEDORUYEOSD-JTQLQIEISA-N 383.386 -0.891 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] 281768650 IAQQCMLOBVNCGQ-VIFPVBQESA-N 379.329 -0.920 5 20 GBBD NS(=O)(=O)c1ccc(NCCN2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 298466703 OAUVAUWRLWTGTF-UHFFFAOYSA-N 378.432 -0.616 5 20 GBBD C[C@@H](NS(=O)(=O)c1cc(C(=O)O)ccc1[N+](=O)[O-])C(=O)N1CCOCC1 414325508 XLRPHQFCYGAKAX-SECBINFHSA-N 387.370 -0.181 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500797635 CMCYSFJNXRERHO-LLVKDONJSA-N 387.418 -0.405 5 20 GBBD NC(=O)N1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 524552759 QRVVLPOLYFZHAQ-UHFFFAOYSA-N 375.341 -0.196 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c([N+](=O)[O-])n1 533175886 YWZAPQVFNWKDJC-AMIZOPFISA-N 386.390 -0.532 5 20 GBBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC(N)=O 538388702 VADXQPTUXPFTMS-UHFFFAOYSA-N 381.374 -0.499 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)S(N)(=O)=O 543815646 KMNDYZYCKRNCAM-LLVKDONJSA-N 399.429 -0.963 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2nc(O)c3cc([N+](=O)[O-])ccc3n2)CC1 587439272 UHMNKBFDGCKZLK-UHFFFAOYSA-N 396.429 0.233 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598896096 DJRADZHQHJAKMT-UHFFFAOYSA-N 382.329 -0.109 5 20 GBBD COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599273209 ADEFGMRJOBTKNS-BDAKNGLRSA-N 390.374 -0.556 5 20 GBBD CN(CC(=O)NCCN1CC[C@@H](O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 600534180 LTUUVGSGUADJTR-CYBMUJFWSA-N 386.430 -0.602 5 20 GBBD Cc1nn(C)c(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1[N+](=O)[O-] 920660786 ZAHTXXHBWPMYRN-UHFFFAOYSA-N 391.344 -0.759 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1837793114 WWGYNWCYIQFRMN-OHUAYANFSA-N 397.363 -0.254 5 20 GBBD Nc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] 264197886 PTHCPIVKRRLSBM-JSGCOSHPSA-N 384.414 -0.595 5 20 GBBD NC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 270719331 WIZMBMKKKKICRJ-SECBINFHSA-N 393.356 -0.036 5 20 GBBD CS(=O)(=O)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273408240 QCPQGWLRJHWXQQ-UHFFFAOYSA-N 379.416 -0.288 5 20 GBBD COc1c(F)cc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O)cc1[N+](=O)[O-] 277313842 TURWUVBRMCZMOC-MRVPVSSYSA-N 379.322 -0.261 5 20 GBBD C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1C 282253074 RIXVTPFNWPDNLI-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD O=C(CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O)N[C@@H]1CCSC1=O 289626592 VNHCSQXXRCEQCQ-SECBINFHSA-N 385.379 -0.112 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)CN2C(=O)c3ccccc3C2=O)c1=O 502134126 YLQYRBMPMIUWKW-UHFFFAOYSA-N 384.304 -0.279 5 20 GBBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 513336684 UFVUNIZFYZNREI-BDAKNGLRSA-N 386.386 -0.635 5 20 GBBD COC(=O)c1cn(C2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nn1 544759650 OHECPOGLCXJJOC-CYBMUJFWSA-N 379.377 -0.133 5 20 GBBD CCOCCS(=O)(=O)NCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 564069651 ZAKLDZCSDHJFOG-UHFFFAOYSA-N 389.434 -0.089 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3C[C@@H](C(=O)O)CC3=O)C2)n1 600653934 QQHHBQUKJROBBW-DTWKUNHWSA-N 387.374 -0.976 5 20 GBBD CC1(C)OCC(CO)(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CO1 834479418 PICUEYQBFWSNIP-UHFFFAOYSA-N 395.368 -0.050 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1256993347 ODWJDPGNLGWRPJ-HNNXBMFYSA-N 380.401 -0.638 5 20 GBBD COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215902 WBXKDRVMDBWHOL-UBHSHLNASA-N 381.389 -0.583 5 20 GBBD COC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792573294 NMHPOGHWUNSREX-PEGIJTEDSA-N 381.389 -0.054 5 20 GBBD O=C(CCn1ccnn1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000807 QWZAIRWUHWQROJ-UHFFFAOYSA-N 388.388 -0.324 5 20 GBBD NS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 25152509 LFSAPWRJXYOQGR-UHFFFAOYSA-N 398.445 -0.446 5 20 GBBD O=[N+]([O-])c1cccc(OCCN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 269920022 UIZUICLRNAYWLL-JKSUJKDBSA-N 385.442 -0.251 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@]1(O)CCSC1 270862856 RLTGEBLIPBCACZ-CYBMUJFWSA-N 375.428 -0.143 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 297828453 QNQWLQLAHMOQFF-QGZVFWFLSA-N 390.400 -0.638 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 298468771 PRPFHBNRLJTCDN-UHFFFAOYSA-N 387.418 -0.562 5 20 GBBD CC(=O)N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 422158930 NJHUUWWEAFVKGD-LBPRGKRZSA-N 399.429 -0.207 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 468667606 NTCMYBGXHDJLHV-LBPRGKRZSA-N 388.340 -0.402 5 20 GBBD COc1cc(CCNC(=O)CNC(=O)CNC(C)=O)c([N+](=O)[O-])cc1OC 493926504 FJWSLRDXYSPAKN-UHFFFAOYSA-N 382.373 -0.477 5 20 GBBD C[C@@H]1CS(=O)(=O)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 527047110 KONKVNNLTLAEGU-SNVBAGLBSA-N 383.382 -0.034 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 572928371 WUHAKVMZRBLUOY-LBPRGKRZSA-N 392.416 -0.542 5 20 GBBD CCC(CC)(NC(=O)C1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1)C(N)=O 575347231 QSENLUHERQFCPK-UHFFFAOYSA-N 393.400 -0.625 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 598029193 PZGFDFWFTYFAOR-GXFFZTMASA-N 381.370 -0.283 5 20 GBBD C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(=O)N(C)C 726894304 XPQCOVBUYSPZFF-DYZYQPBXSA-N 391.384 -0.045 5 20 GBBD NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 779429573 QFNSTDRFRSYBBL-UHFFFAOYSA-N 399.429 -0.184 5 20 GBBD CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1117093460 PWHATGWHJMXGBA-CYBMUJFWSA-N 384.414 -0.596 5 20 GBBD C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 1321959597 FQIBMMZVFYWMHM-STQMWFEESA-N 396.448 -0.089 5 20 GBBD NC[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F 1351556443 BFHULHKMSZFWJN-ONGXEEELSA-N 392.338 -0.107 5 20 GBBD Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(CC(=O)NCc3cnn[nH]3)CC2)n1 1577348704 RLMYHHBQUSJKJO-UHFFFAOYSA-N 388.388 -0.509 5 20 GBBD O=C(N[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4cnn[nH]4)nc3)C[C@@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] 1578022328 KQNMFPMZWDCYNA-ZNLHFFCSSA-N 383.368 -0.282 5 20 GBBD CN(C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1591051903 RKXXGWFVDREKBT-HUUCEWRRSA-N 388.388 -0.002 5 20 GBBD CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1 1776947089 FBFLRUZAPHUHTM-UHFFFAOYSA-N 395.415 -0.099 5 20 GBBD O=C(Cn1nccn1)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1781418319 FZWHKICFFBIKDY-INIZCTEOSA-N 390.356 -0.077 5 20 GBBD COC(=O)C1(C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 1842000381 RYZMGCIBHQDTLB-UHFFFAOYSA-N 391.384 -0.052 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 68302611 RSRRQWIMYNDNPS-UHFFFAOYSA-N 395.324 -0.505 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 264559594 UOQUKHXTMAABME-GFCCVEGCSA-N 397.457 -0.011 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 267322437 CJXGYEQSVIHQNE-UHFFFAOYSA-N 393.400 -0.560 5 20 GBBD O=C(CNC[C@H]1CCCO1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 269254535 OJETVUPBBMFLBV-CYBMUJFWSA-N 386.430 -0.242 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@]1(O)CCOC1 270148282 QWXKAFBJMRUPJY-CQSZACIVSA-N 388.402 -0.676 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 273218163 USERVMCXLSIKOV-MRVPVSSYSA-N 378.384 -0.153 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC(C(N)=O)=NO1 276583910 OZJCYYWTGFWJIT-MRVPVSSYSA-N 386.342 -0.710 5 20 GBBD C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)N2CCNC(=O)C2)C1=O 281884755 GNLVZLBUXANTRD-MRXNPFEDSA-N 375.341 -0.680 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N(C)[C@@H]2COC[C@H]2O)c(C)c([N+](=O)[O-])c1 289048888 NNQSQRJTSZYJNV-CHWSQXEVSA-N 381.341 -0.154 5 20 GBBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)NC[C@H]1CCS(=O)(=O)C1 436965009 JMTCGYJFFWQINT-NXEZZACHSA-N 385.398 -0.030 5 20 GBBD Cc1c(C(=O)NCCN2C(=O)CCCC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 469585622 ULOLAJMFHLNKOX-UHFFFAOYSA-N 398.397 -0.180 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1C(=O)CCC1=O 505947268 OFEYDMSKMMDIJQ-UHFFFAOYSA-N 398.397 -0.472 5 20 GBBD COc1cc(OCC(=O)N=c2nc(CS(C)(=O)=O)[nH]o2)ccc1[N+](=O)[O-] 538261793 YUZUSFPHVUXTMM-UHFFFAOYSA-N 386.342 -0.030 5 20 GBBD O=C(O)C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 548253395 JNZMMFRWZRSUNS-GFCCVEGCSA-N 392.411 -0.002 5 20 GBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC1CCC2(CC1)NC(=O)NC2=O 553625400 WNQBIRHHKBOOOL-UHFFFAOYSA-N 389.368 -0.038 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NCCN(C)C 570814698 QJLKERLQXOZOTR-SNVBAGLBSA-N 391.384 -0.627 5 20 GBBD O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 572617885 KQESRRURRNOOQX-ZDUSSCGKSA-N 378.428 -0.394 5 20 GBBD N[C@H]1C[C@@H]2CN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CCN2C1=O 578338819 YYRQJHGSQYIBJQ-KGLIPLIRSA-N 389.412 -0.185 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)S(C)(=O)=O 588631190 LVHKCKTUNIFALJ-NSHDSACASA-N 399.429 -0.812 5 20 GBBD COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 592321864 CTZABMNULJLQBF-GXSJLCMTSA-N 381.341 -0.076 5 20 GBBD COC(=O)c1ccnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)c1[N+](=O)[O-] 598586675 WESTWWKPOOAPHC-UHFFFAOYSA-N 379.373 -0.050 5 20 GBBD Cc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(N)c([N+](=O)[O-])c1 729521641 ROPVQIAAFOILQO-SNVBAGLBSA-N 384.414 -0.139 5 20 GBBD CC(CO)(CO)C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 759840476 MAJICPTUBSZOPC-UHFFFAOYSA-N 381.385 -0.223 5 20 GBBD CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859174099 RIQWUQNOEOVKIF-SECBINFHSA-N 393.422 -0.166 5 20 GBBD COCC(=O)N(C)CC(=O)NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1605036198 DGWDDNVMEZZWEJ-UHFFFAOYSA-N 392.376 -0.592 5 20 GBBD O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1609537491 WAUJAYHLFCEUME-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD C/C(=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C(=O)O 1779394796 VDZFNOMQGNTUQH-CXSQMQJXSA-N 393.356 -0.208 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1cc[nH]n1 1784680124 OATMGKWLOVWHCF-NHCYSSNCSA-N 389.372 -0.052 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)[C@H](C)NC=O)C2)n1 1845178563 VUJUQLJTOJIMNN-NSHDSACASA-N 391.384 -0.050 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)COCCO)C2)n1 1845211857 RYVLWXHYBZVYFB-UHFFFAOYSA-N 394.384 -0.176 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 14737453 RZTBNADIFJANHD-JTQLQIEISA-N 391.427 -0.481 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 32406431 KUNCNHZNMSBYJW-SNVBAGLBSA-N 387.370 -0.344 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CCNCC2)C1 262060133 NWBYSPJODGYQMR-CQSZACIVSA-N 389.412 -0.174 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCN(C[C@@H](C)O)CC2)cc1[N+](=O)[O-] 275426377 JIYIWRZMZAVOQJ-GFCCVEGCSA-N 380.401 -0.142 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)O)cc1[N+](=O)[O-] 277189146 DATVOQQOQFOHJG-MRVPVSSYSA-N 391.314 -0.021 5 20 GBBD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cnc(O)c([N+](=O)[O-])c1 277642870 CZKYPZZDUYMJTM-LLVKDONJSA-N 388.402 -0.086 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 373253145 SBSFCTYZHVDETD-NEPJUHHUSA-N 388.446 -0.633 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 461639913 ACADUJXCSLQCLK-UHFFFAOYSA-N 390.443 -0.207 5 20 GBBD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 489759486 OWULIVYYXXWFOY-NSHDSACASA-N 390.422 -0.915 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 498253785 OYDBGOBIKDYHPN-UHFFFAOYSA-N 386.386 -0.630 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])n1 559138251 DNSXCHQECJHIBB-SECBINFHSA-N 381.436 -0.500 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2nncc2C1 572374941 FNKIZANTODBCCD-UHFFFAOYSA-N 395.401 -0.310 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCNC2)CC1 584608593 UTORIFFXHXSDDX-ZDUSSCGKSA-N 397.457 -0.621 5 20 GBBD O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(C(=O)Cn2cnnn2)CC1 593448262 MBYRYIBMKFJAHZ-UHFFFAOYSA-N 377.336 -0.366 5 20 GBBD CO[C@](C)(C(=O)O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 595995405 PQFVHAFJUNMXFD-ZDUSSCGKSA-N 375.359 -0.521 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598897573 GZRIWGVYYRWNPD-GFCCVEGCSA-N 385.402 -0.004 5 20 GBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CN2CCCC2)CC1 728569124 MCXRPAZXTPUHHK-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CCn1cc([N+](=O)[O-])cn1 820803682 FEJRRTKRVWGRQW-LLVKDONJSA-N 385.392 -0.028 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)[C@H]2CCN(C)S2(=O)=O)cccc1[N+](=O)[O-] 842822060 IGEGKGDBNPHOHC-GFCCVEGCSA-N 391.427 -0.117 5 20 GBBD CNC(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591209662 CSMUWZLPPUJDSL-UHFFFAOYSA-N 391.392 -0.402 5 20 GBBD COC(=O)[C@H]1CN(C)C(=O)CN1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591253612 CQFPCVQADSKRIG-GFCCVEGCSA-N 375.345 -0.410 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)n1 1842883226 ADZRZBIRBKAABP-UHFFFAOYSA-N 391.388 -0.702 5 20 GBBD CCOC(=O)C1CCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269131234 LGAYHZPMCMYQBU-UHFFFAOYSA-N 375.407 -0.099 5 20 GBBD Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] 299691952 UUSTWTHPOVKUNV-GJZGRUSLSA-N 383.426 -0.181 5 20 GBBD Cn1cc(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)c(O)nc1=O 568655657 OERWSUNSSILOCR-UHFFFAOYSA-N 385.340 0.179 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCO[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 599188627 UYICUSNTTXFFNY-ZYHUDNBSSA-N 394.384 -0.033 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 599316164 LKNBVQXLEYCXFI-ZJUUUORDSA-N 395.463 -0.285 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 611280678 NDFBTYOVDZIKNB-UHFFFAOYSA-N 398.488 -0.012 5 20 GBBD CCOC(=O)[C@@H](CO)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 612631425 DPRPPERZOGLLMJ-MRVPVSSYSA-N 376.343 -0.432 5 20 GBBD COC(=O)c1ccc(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 763609901 DANOACAZDJLQFO-UHFFFAOYSA-N 399.337 -0.454 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@]2(CCO[C@@H]2C)O1 1323905287 LTWLZGNACJGRKE-HSMVNMDESA-N 381.389 -0.298 5 20 GBBD O=C(NCC1CCN(C(=O)CCOCc2cnn[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1577995980 FKMOMXKVLWAQTO-ZIAGYGMSSA-N 380.405 -0.269 5 20 GBBD CNC(=O)Cn1ccc(NS(=O)(=O)c2ccc(CC(=O)O)cc2[N+](=O)[O-])n1 1777094298 ODXAUVTYIYZIIQ-UHFFFAOYSA-N 397.369 -0.035 5 20 GBBD Cn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1794784178 NJKMRWDUWBPLQY-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2)c1ccc([N+](=O)[O-])[nH]1 1821736971 QXAIZXQYKFTLOO-LURJTMIESA-N 381.370 -0.084 5 20 GBBD CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1830521915 WYNUKRVSHRESOH-BLLLJJGKSA-N 397.388 -0.841 5 20 GBBD O=C(C(O)O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c3c2OCO3)C1 1844757253 CTAHIOYIAFPAGM-UHFFFAOYSA-N 379.325 -0.549 5 20 GBBD COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844828935 JFSHVADDBUSWMD-ZDUSSCGKSA-N 393.400 -0.109 5 20 GBBD CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cccc([N+](=O)[O-])c2=O)COC1 1847342790 PAIOJOLOGLHHFA-STQMWFEESA-N 390.396 -0.005 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 263864564 FQAITGPDMVRWHQ-UHFFFAOYSA-N 388.388 -0.368 5 20 GBBD CN(C)C(=O)CN1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 264577394 BBGDBFGHKQUWAE-UHFFFAOYSA-N 391.428 -0.007 5 20 GBBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1C 268586762 KTAMFTKWQQYCLW-GFCCVEGCSA-N 382.398 -0.457 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c(C)c([N+](=O)[O-])c1 276847403 ILVLQCMIYPJRHE-INIZCTEOSA-N 381.341 -0.104 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@H](O)C1 297141337 IDCXSSYJCZXIRA-GFCCVEGCSA-N 388.402 -0.724 5 20 GBBD CCNC(=O)c1ccc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 413086923 RBHKVPRKYZOMEJ-UHFFFAOYSA-N 394.413 0.525 5 20 GBBD O=C(C(=O)N1CC[C@@H]2CNC[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423588296 GNRFYDOCZWQZDB-KGLIPLIRSA-N 388.428 -0.294 5 20 GBBD O=C(CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 438792182 OCAIIFCHMMBKAL-MRXNPFEDSA-N 380.449 -0.218 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 486022615 FTMWBOLLOJCEIV-ABKXIKBNSA-N 380.357 -0.687 5 20 GBBD CCS(=O)(=O)NCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 523219508 AKAPNNKJDFSXGM-UHFFFAOYSA-N 386.434 -0.239 5 20 GBBD CC(C)NC(=O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 523882271 HCIMIBFFXPMALW-UHFFFAOYSA-N 387.418 -0.303 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 534396401 UQELTAMTTXXGSP-JTQLQIEISA-N 386.386 -0.635 5 20 GBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 595275040 FCUPTBNPFMDDJH-PIGZYNQJSA-N 393.352 -0.221 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 598026417 FDAWDIFALCBOST-JIMOISOXSA-N 385.398 -0.359 5 20 GBBD CC(=O)NCC(=O)N1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 599619698 UTMWJFMJCPGQQK-UHFFFAOYSA-N 377.401 -0.136 5 20 GBBD O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(CCO)CCOCCO 600115126 DBMPIKPOCNMGKZ-GFCCVEGCSA-N 385.373 -0.378 5 20 GBBD CNc1nccc(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)c1[N+](=O)[O-] 600410055 LFKVDDPKUVFSAN-UHFFFAOYSA-N 378.389 -0.158 5 20 GBBD O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCS(=O)(=O)N1CCOCC1 748046666 QOELPDDQMYGOPU-UHFFFAOYSA-N 397.413 -0.277 5 20 GBBD C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 820774439 CWJYTKUIUYAZSH-SNVBAGLBSA-N 399.375 -0.501 5 20 GBBD Cc1nn(C)c(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] 920658777 LXJXSAKDMKKYQG-UHFFFAOYSA-N 396.404 -0.974 5 20 GBBD CC(=O)N1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 280787870 OMEDZCXQPIHUJQ-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD COC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)OC 484471371 WKHJVURTZNCIPE-JTQLQIEISA-N 375.359 -0.532 5 20 GBBD O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)[C@H]1CN2CCCN1CC2 565093361 JBSGLIOWCLPPKC-MRXNPFEDSA-N 385.428 0.456 5 20 GBBD COc1ccc(NC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] 595128642 IJVPLGJBGGOQQY-CABZTGNLSA-N 387.370 -0.530 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnn(C[C@@H](O)CO)c1 597499832 GUYQACHALLSEGC-CYBMUJFWSA-N 398.397 -0.652 5 20 GBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@]1(O)CCS(=O)(=O)C1 598902950 LUOIPQBUYHFBBZ-CQSZACIVSA-N 386.386 -0.618 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598911084 ZUPUTVVNOLCQEY-RYUDHWBXSA-N 386.386 -0.356 5 20 GBBD CNC(=O)[C@@H](O)CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 809835360 CMLFFSGYIUPLHM-VIFPVBQESA-N 382.192 -0.258 5 20 GBBD C[C@@]1(C2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)NC(=O)NC1=O 820613098 SNAFWHGWZXJTIX-HNNXBMFYSA-N 387.360 -0.016 5 20 GBBD Cc1cc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)ccc1[N+](=O)[O-] 918807716 MUXJIOFUTAKSLH-NSHDSACASA-N 394.384 -0.231 5 20 GBBD Cn1c(NCCNc2ccccc2[N+](=O)[O-])c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592555856 YDJHGRWKMAEFKD-UHFFFAOYSA-N 387.360 -0.304 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1836511243 UCVIUMOTZMCTKJ-INIZCTEOSA-N 379.373 -0.202 5 20 GBBD C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 268048464 NPAOJRSHGJGINB-AWEZNQCLSA-N 391.428 -0.088 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 273580740 PHDNKRMGHLTVQL-LDYMZIIASA-N 387.370 -0.355 5 20 GBBD CNC(=O)N[C@@H]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 468724101 LULDAPXPCWUALP-GFCCVEGCSA-N 378.389 -0.076 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2)nn1 500571608 FHHVAXRNSWEQQB-UHFFFAOYSA-N 387.356 -0.511 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 578766873 JNTGBESDBPONQA-LEWSCRJBSA-N 375.385 -0.458 5 20 GBBD NC(=O)c1ccc(SCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 579495518 DHXONJOILZMARN-MNOVXSKESA-N 393.425 -0.444 5 20 GBBD NC(=O)c1ccc(SCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])c1 594365925 NOSNQQXBQAFEDT-PSASIEDQSA-N 389.411 -0.940 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 737862943 PRTXBXWKNGJYBO-UHFFFAOYSA-N 392.357 -0.133 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 786432879 RSWKUECNSZAGJP-CQSZACIVSA-N 390.400 -0.410 5 20 GBBD Cc1noc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 826339784 SXXZHTBPCGWTJP-UHFFFAOYSA-N 380.346 -0.013 5 20 GBBD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cnnn1 845796834 VFZASZNMIBNLID-UHFFFAOYSA-N 376.362 -0.314 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1cn(C[C@@H]2CCOC2)nn1 860590695 WMDDEYREJBIBOR-VIFPVBQESA-N 382.358 -0.264 5 20 GBBD O=C(CS(=O)(=O)C1CC1)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861404561 ALHZZFSODJADRI-UHFFFAOYSA-N 392.411 -0.318 5 20 GBBD C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1261324103 XGIBXTJLWPHKRK-LBPRGKRZSA-N 390.400 -0.673 5 20 GBBD CC1(C)CN(C(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1321927865 WJMSABFPZXRHGC-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD CC(C)COC(=O)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1347104373 IPLJSESEFHNDDS-UHFFFAOYSA-N 396.404 -0.156 5 20 GBBD CC[C@@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403187 CEEWAUANTIVJJI-DIACKHNESA-N 395.416 -0.072 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@@H]1CCCO1 1800730604 MXSDMBHEJBPYOH-LFSVMHDDSA-N 379.373 -0.300 5 20 GBBD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834972307 GNVIAAIXZIFQPD-HNNXBMFYSA-N 383.361 -0.966 5 20 GBBD NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825383 VYPVKITVBXFOJZ-UHFFFAOYSA-N 391.384 -0.775 5 20 GBBD C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)N1CCS(=O)(=O)CC1 264132235 IVATVSJLZYXTSQ-QMMMGPOBSA-N 388.377 -0.309 5 20 GBBD C[C@H](CN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nnn[nH]1 274797666 RQUXTLWPJGRFLW-SNVBAGLBSA-N 397.417 -0.010 5 20 GBBD Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 276586762 WBFJHTFVHFEBAC-GFCCVEGCSA-N 377.401 -0.160 5 20 GBBD CCNC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 280684873 BEYWGFMAJREMOB-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O 283039668 PYUXXTHIIGMHCG-ZDUSSCGKSA-N 384.414 -0.048 5 20 GBBD CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 288078752 ZEAUYAQEIARXAO-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD COC(=O)[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C(=O)OC 442114624 YOKKGYAWBCBPPB-IINYFYTJSA-N 381.341 -0.290 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C(F)F 489399897 JGWHSGLHDNWACK-SNVBAGLBSA-N 382.345 -0.202 5 20 GBBD NC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 531585272 OJZYJFOLGCZALM-LLVKDONJSA-N 395.441 -0.110 5 20 GBBD CCn1cc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])n1 533174228 RLUOGTFMRQOQMN-UHFFFAOYSA-N 381.436 -0.533 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)N1CCSCC1 546745358 IHWQGEHMLTVQSQ-UHFFFAOYSA-N 375.432 -0.320 5 20 GBBD NC(=O)C[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)O 776445479 XNILFZHQGYNCAZ-ZCFIWIBFSA-N 396.175 -0.036 5 20 GBBD O=C1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 815639184 PKQCKKICBXBRBD-LLVKDONJSA-N 384.414 -0.094 5 20 GBBD COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 821656045 WPYSICUTPKHWTB-MRVPVSSYSA-N 382.358 -0.042 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)COc1ccc(C(=O)O)c([N+](=O)[O-])c1 1598381152 YJIRBAXRHOGFLE-UHFFFAOYSA-N 381.341 -0.011 5 20 GBBD O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)CN1 1783166641 ZOHJJNGQVCIZRK-GTNSWQLSSA-N 391.384 -0.498 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832120802 TTXVKXMTWRUKIE-GDLVEWKHSA-N 397.363 -0.254 5 20 GBBD CC(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 53526847 DDMKMEVBZKFYOO-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD CN1CC(=O)N(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 273398452 MPDLSZGPSVFGHI-UHFFFAOYSA-N 384.370 -0.621 5 20 GBBD COC(=O)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 288519917 CRLRGSZOHQWIIH-GFCCVEGCSA-N 388.402 -0.730 5 20 GBBD C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(=O)N1 297186344 XKNZHVBWKJYPAH-SECBINFHSA-N 385.402 -0.609 5 20 GBBD COC(=O)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)OC 298082960 DEDUVDIKENCFJX-VIFPVBQESA-N 388.354 -0.167 5 20 GBBD CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O 298264907 AHVWTMNNNHRUCF-GFCCVEGCSA-N 396.425 -0.094 5 20 GBBD N[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1c1cccc(F)c1 419464234 MSTPJCWKNBGXRP-LSDHHAIUSA-N 390.375 0.000 5 20 GBBD CC1(C)CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCN1 423584320 DELDYKCTFOMDBS-UHFFFAOYSA-N 376.417 -0.151 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 428212597 OHXTWAAOFGSDJU-UHFFFAOYSA-N 392.416 -0.716 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CCS(=O)(=O)C1 451683712 FMCJOPRLBRDSPT-ZDUSSCGKSA-N 378.428 -0.015 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[S@@](=O)C1 475133078 YDWSKLTZTLPRGU-CCGUKBGLSA-N 390.443 -0.307 5 20 GBBD Cn1ccnc(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 543665571 WUSOTJJZYWEFEH-UHFFFAOYSA-N 396.385 -0.212 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CC(N3CC[C@@H](O)C3)C1)OCCO2 593651803 SSQAWMWOGLQPAJ-LLVKDONJSA-N 385.398 -0.195 5 20 GBBD Cn1ccc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)n1 597573109 ZIRBKTUDYFAKIA-SNVBAGLBSA-N 390.356 0.281 5 20 GBBD O=C(NCCN1CC[C@H](O)C1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 600100435 YMYFMNQENCLYCP-NSHDSACASA-N 394.384 -0.123 5 20 GBBD COc1ccc(CC(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 609016333 RBVKEVBRXGNVOA-GFCCVEGCSA-N 399.425 -0.092 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C 609955225 NKLZKZJFCCBFMX-CYBMUJFWSA-N 391.384 -0.305 5 20 GBBD O=C(COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NC(=O)NCC(F)(F)F 748915129 COZAXRMVXLCFME-UHFFFAOYSA-N 380.235 -0.312 5 20 GBBD CS(=O)(=O)N1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 794617368 WPUWKPXXUQHFCR-UHFFFAOYSA-N 383.386 -0.054 5 20 GBBD O=C1CC[C@@H](OC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1 798606735 NIQHUBLVOLLPPI-LLVKDONJSA-N 385.354 -0.388 5 20 GBBD C[C@H]1CN(S(=O)(=O)N2CCN(Cn3nccc3[N+](=O)[O-])CC2)C[C@H](C)O1 917428307 RTGNPVOPISIMFF-STQMWFEESA-N 388.450 -0.280 5 20 GBBD CCC(=O)NCC(=O)NCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1603972773 UQAPGQINQJCCFA-UHFFFAOYSA-N 376.377 -0.147 5 20 GBBD COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786492956 OXVGRWALPUCSJP-UBHSHLNASA-N 381.389 -0.583 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1792419014 IBLHPWUBZKLECV-JJLQDPRZSA-N 379.369 -0.962 5 20 GBBD CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837799161 UNBFZUGFJIHYAY-ZBEGNZNMSA-N 397.388 -0.577 5 20 GBBD O=C1CC(C(=O)N2CC3(CCCN3C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)=NN1 1845310820 PRHCWVOTSHWDEI-UHFFFAOYSA-N 387.352 -0.007 5 20 GBBD O=C([C@@H]1C=CCN1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824404 MSIUSQOCVYSNIE-ZDUSSCGKSA-N 387.396 -0.512 5 20 GBBD O=C1C=CC(=O)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847170853 ODTWUICPWSJGGJ-QWRGUYRKSA-N 388.336 -0.072 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 58224176 UOLOOWHFLHWSTE-UHFFFAOYSA-N 385.446 -0.029 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 266360661 YSUZCNKPVHRCGG-UHFFFAOYSA-N 398.401 -0.238 5 20 GBBD CN(CC(=O)NCC(=O)NCC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 272081943 BCGVCPNURDNOEE-UHFFFAOYSA-N 384.414 -0.142 5 20 GBBD COC(=O)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 288493323 ARRDQFVKMICQHJ-SNVBAGLBSA-N 388.402 -0.730 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CNC[C@@H]21 417307003 DGOGZDQYHXAWIN-RISCZKNCSA-N 383.430 -0.124 5 20 GBBD O=C1NC(=O)N2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 498909314 MBKZZGPSXFGKCN-VIFPVBQESA-N 398.353 -0.709 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 506051775 NXWDMABZJURQFF-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 597752833 JKWJWZJCGABJEK-LBPRGKRZSA-N 398.445 -0.446 5 20 GBBD C[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(=O)N1 599175656 GUHRXWRYQJOTSZ-GXFFZTMASA-N 384.414 -0.096 5 20 GBBD NCCCOCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 599961415 BXPUTSJPSMCWKC-UHFFFAOYSA-N 380.405 -0.880 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C 619876833 XUDXZMWMBBPWTC-LLVKDONJSA-N 383.361 -0.994 5 20 GBBD COC(=O)[C@](C)(NC(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1 863300093 DRTOJUCMQZRHIO-QGZVFWFLSA-N 390.352 -0.190 5 20 GBBD C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1117948372 UROACMZVAMAJIO-OCCSQVGLSA-N 377.401 -0.132 5 20 GBBD C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793430082 BDMBSCHYUGGEEI-MWGHHZFTSA-N 394.388 -0.967 5 20 GBBD CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793638241 PFNUVSSDSXDHNY-RNJOBUHISA-N 392.416 -0.385 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cncnc1 1794824021 OYGCBNQXSNDKFT-PTEHBNRSSA-N 387.356 -0.375 5 20 GBBD Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 26114207 QBPKUSJGWAHBEW-UHFFFAOYSA-N 376.325 -0.077 5 20 GBBD COc1ccc(S(=O)(=O)NCCOCCS(C)(=O)=O)cc1[N+](=O)[O-] 266189819 MOUDYADLIUPIGS-UHFFFAOYSA-N 382.416 -0.057 5 20 GBBD C[C@@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 267239928 GYSAVYZUNSEHIJ-LLVKDONJSA-N 384.414 -0.060 5 20 GBBD O=C1[C@H]2COCCN2C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 272133053 VEQRKQJEZXKCTD-GFCCVEGCSA-N 384.370 -0.464 5 20 GBBD COC[C@H](CO)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 280260459 NYELXKYKQPXYPB-VIFPVBQESA-N 375.359 -0.163 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)OC)CCOC2)cc1[N+](=O)[O-] 416422687 NWAJDXUANFQORP-AWEZNQCLSA-N 388.354 -0.008 5 20 GBBD COCC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 467834884 NMEUMBZBNJXAHK-NSHDSACASA-N 375.403 -0.223 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 497563318 KYRPSTAUCGDYPZ-AWEZNQCLSA-N 394.384 -0.426 5 20 GBBD COCCCS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 517690893 VQYVZTDSOTZKGL-UHFFFAOYSA-N 381.432 -0.171 5 20 GBBD Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)O)c(=O)n(C)c1=O 547871818 JINIYILAIIHKJX-UHFFFAOYSA-N 384.326 -0.509 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 565837680 RWFYFMOESBWPCH-VIFPVBQESA-N 384.370 -0.347 5 20 GBBD NS(=O)(=O)C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 571569488 KDIMCSPEPUSXOG-UHFFFAOYSA-N 388.427 -0.238 5 20 GBBD O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 597700011 IUVQOUVBKCVRBX-BZUAXINKSA-N 391.380 -0.708 5 20 GBBD CS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1325294830 ZTVPOISKCPOCNH-UHFFFAOYSA-N 384.414 -0.643 5 20 GBBD Cn1c(-c2n[nH]cc2[N+](=O)[O-])nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1343443562 YSGKTJUDZQESFJ-NSHDSACASA-N 376.377 -0.059 5 20 GBBD CN(CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)Cn1cncn1 1591092973 IIQVBNCIVXHNGD-UHFFFAOYSA-N 386.376 -0.039 5 20 GBBD CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783186553 CDETYDVOAZXFRK-QGZVFWFLSA-N 393.400 -0.107 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1841616966 QXUDHNYNEVZLRZ-JTQLQIEISA-N 399.429 -0.184 5 20 GBBD CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1843335608 WXDSSRAUYLOOLM-LBPRGKRZSA-N 393.404 -0.558 5 20 GBBD Cn1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C(N)=O 26863927 GTAAMYIFYJJSOX-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 276257669 SYSZCLPKGLSQSC-VIFPVBQESA-N 389.386 -0.108 5 20 GBBD COC[C@]1(C)NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 277431023 BKXKHIOTLOPCQP-AWEZNQCLSA-N 386.386 -0.170 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 281510880 RLDRJNFTHUVAHU-ZDUSSCGKSA-N 380.357 -0.095 5 20 GBBD COC(=O)[C@H](CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)OC 294227708 ZBGUGMZZXVLTEW-NSHDSACASA-N 375.359 -0.532 5 20 GBBD CNc1nc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1[N+](=O)[O-] 454421399 JCINSYWVSFEUEN-UHFFFAOYSA-N 392.416 -0.352 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 565837675 RWFYFMOESBWPCH-SECBINFHSA-N 384.370 -0.347 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[C@@H](CN)C1 568869550 RVKVCPJHGJWGCR-INIZCTEOSA-N 390.444 -0.655 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN([C@H]3CC(=O)NC3=O)CC2)c([N+](=O)[O-])c1 569936648 BNKAQUGMUHYTQJ-ZDUSSCGKSA-N 382.398 -0.465 5 20 GBBD N[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1F 595264501 ZRAMJALHSIBLLF-CHWSQXEVSA-N 389.409 -0.046 5 20 GBBD CCCc1[nH]nc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] 609476820 ZNNLJVFCWPQXIX-UHFFFAOYSA-N 388.450 -0.423 5 20 GBBD CON(C)C(=O)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 863625115 GTQDKKMORONKIZ-JTQLQIEISA-N 388.402 -0.212 5 20 GBBD CS(=O)(=O)NCC1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591678150 QMPMXXDPYLLPOA-UHFFFAOYSA-N 382.406 -0.065 5 20 GBBD CCN(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800163846 RWHAYQHPPSKLCX-NRWUCQMLSA-N 394.432 -0.139 5 20 GBBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c1C 268856929 LOPPFHYKMPCGHT-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD O=C1CC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 492690404 GARBMHNMIOIAOI-NSHDSACASA-N 384.370 -0.815 5 20 GBBD NC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 576715516 LXZJUYCUDMDZEX-UONOGXRCSA-N 396.425 -0.061 5 20 GBBD CN(CCN1CCNCC1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 592469786 ZRJFBXMSIVRZJZ-UHFFFAOYSA-N 399.473 -0.373 5 20 GBBD COC(=O)c1ccnc(NCCN2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] 598590012 WPZZKCZFANEBTG-UHFFFAOYSA-N 387.418 -0.235 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1 599256988 CTRAUSTUVKSRLQ-DTWKUNHWSA-N 381.436 -0.676 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1117984494 NYMULDXDCYFYHR-AWEZNQCLSA-N 393.352 -0.415 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1256992517 ASDFTAVRLYQZMV-ZDUSSCGKSA-N 384.414 -0.249 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1606616566 XNHKCYUVQKILLG-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cnoc1 1796525410 FUFGYZOGPMCROF-JGPRNRPPSA-N 376.329 -0.177 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1832802927 FORLKSQQVGJFHO-QGZVFWFLSA-N 393.400 -0.342 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] 272909356 LDWBGEOXNMMKPW-LBPRGKRZSA-N 393.400 -0.002 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(N2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 277440256 NDUULPMKBLUMLF-HUUCEWRRSA-N 388.446 -0.633 5 20 GBBD CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 287884269 OEXQNWYEWLMKQJ-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD COCC(COC)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 456230590 NWGLATDCZIXHDB-UHFFFAOYSA-N 375.403 -0.007 5 20 GBBD Cn1ccnc(N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)c1=O 467011060 RBRKFPXYQZSPNA-UHFFFAOYSA-N 394.413 -0.338 5 20 GBBD Cc1c(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 485767043 QNAHEWSCTHMYCT-KWQFWETISA-N 391.427 -0.144 5 20 GBBD COC(=O)CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 516876747 GQJZMMJNNBWYCL-SECBINFHSA-N 382.329 -0.802 5 20 GBBD NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 596783174 BNWSBJXOKNDULV-GFCCVEGCSA-N 398.445 -0.446 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 603931833 PKUICOLCYDEYHQ-UHFFFAOYSA-N 393.447 -0.829 5 20 GBBD Cn1c(=O)c2cc(C(=O)NCCn3cc([N+](=O)[O-])cn3)n(C)c2n(C)c1=O 610889721 BLSITPGMAUAJRV-UHFFFAOYSA-N 375.345 -0.890 5 20 GBBD COC(=O)[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(-c2nn[nH]n2)c1 821648933 XPPUYVJQJURLHP-LLVKDONJSA-N 388.300 -0.176 5 20 GBBD C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC(=O)O 827826245 MJXZRDLPMVBHBB-IUCAKERBSA-N 383.313 -0.075 5 20 GBBD CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 917444679 LPXAKUSDEBHKIJ-UHFFFAOYSA-N 388.383 -0.300 5 20 GBBD COC(=O)[C@H]1CN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CCO1 1117618071 BUTULCOLJFJUHG-CYBMUJFWSA-N 381.341 -0.380 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783483140 LRGQLTGESQZZBR-PBHICJAKSA-N 393.400 -0.200 5 20 GBBD CCC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1790816158 UHJPJTDQUXPPAU-NHCYSSNCSA-N 379.373 -0.110 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 43057936 BPRICKJMRIEUSP-LLVKDONJSA-N 385.398 -0.217 5 20 GBBD CCS(=O)(=O)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 53149852 HYYPYKAOSRIYAQ-UHFFFAOYSA-N 393.443 -0.039 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 266856855 UMLZGCMZWAFFGL-UHFFFAOYSA-N 392.459 -0.502 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 270939052 RVRRZRXAVPMKEL-ZDUSSCGKSA-N 385.398 -0.169 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)O 275714730 HJNMCKVPJDEYFH-HQJQHLMTSA-N 376.343 -0.418 5 20 GBBD O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 275882858 GIKPEPLUWSEMMH-SECBINFHSA-N 395.759 -0.644 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Cn2cnnn2)CC1 298776028 HQKBDLCOSVVENR-UHFFFAOYSA-N 375.345 -0.669 5 20 GBBD Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 433807161 DBXADXGSPAAHHT-LBPRGKRZSA-N 398.379 -0.294 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)c([N+](=O)[O-])n1 501161240 FDGSEKXZBFOEHR-VIFPVBQESA-N 389.390 -0.747 5 20 GBBD Cc1c(CNC(=O)C(=O)NCCNC(=O)c2cnccn2)cccc1[N+](=O)[O-] 552927173 LEGDQBDOVLTMPC-UHFFFAOYSA-N 386.368 -0.144 5 20 GBBD COC(=O)[C@H](CF)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 574937735 ULRNSRNTDBEKCV-NSHDSACASA-N 377.350 -0.110 5 20 GBBD O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H](O)C1 610668856 DIAYUXNTHSQJMZ-VNHYZAJKSA-N 399.425 -0.298 5 20 GBBD O=C(CN1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 737876191 IUQLCLDLBOYFBK-UHFFFAOYSA-N 387.404 -0.086 5 20 GBBD COCCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 821691128 JNNGABDKNMHXOG-UHFFFAOYSA-N 390.404 -0.341 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c1-c1nn[nH]n1 826500203 OESVLAPPHXACCH-SNVBAGLBSA-N 394.417 -0.947 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nnnn2C2CC2)c1-c1nn[nH]n1 826500299 SNBPMAZUTBSILE-UHFFFAOYSA-N 392.361 -0.425 5 20 GBBD NC(=O)C1(NCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 852493431 MOPSQEPFVNLMBR-UHFFFAOYSA-N 391.428 -0.133 5 20 GBBD C[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 1261328457 GYXWHAJHRZUZQY-GOSISDBHSA-N 390.396 -0.138 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cocn1 1794937559 RRICWJDOXUPMSP-DOFRTFSJSA-N 376.329 -0.177 5 20 GBBD COCCCNC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11387587 RLEBXFRLWPHFRY-UHFFFAOYSA-N 379.325 -0.113 5 20 GBBD COC(=O)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C(=O)OC)C1 272771193 ZTHSBNBLBTWTOE-JQWIXIFHSA-N 381.341 -0.290 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1[N+](=O)[O-] 272817171 CNPNMUODWJETGM-SNVBAGLBSA-N 380.357 -0.407 5 20 GBBD O=C(CN1CCCS1(=O)=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273245441 GEGVJNSRFVBPKK-UHFFFAOYSA-N 391.427 -0.480 5 20 GBBD O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 418682046 ZFVOJVZCYKMKFT-JYAVWHMHSA-N 395.441 -0.172 5 20 GBBD O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CCN([C@@H]2CCNC2)CC1 423302042 GRVDTIAJVHMIES-QGZVFWFLSA-N 387.440 -0.014 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNS(=O)(=O)CC 468490635 AIBYDZMIFKFFGW-JTQLQIEISA-N 376.439 -0.117 5 20 GBBD N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O 516665316 ZHICRWYUONCSRY-YPMHNXCESA-N 395.803 -0.365 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 519836120 ZZOONSBOGWBWTM-KBPBESRZSA-N 385.384 -0.132 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 545377850 LHBOKOVPVCOPGJ-LBPRGKRZSA-N 394.432 -0.129 5 20 GBBD COc1cc(CCNC(=O)c2cn(C)c(=O)n(C)c2=O)c([N+](=O)[O-])cc1OC 735032058 QDKSCSNONDHWOP-UHFFFAOYSA-N 392.368 -0.018 5 20 GBBD O=C(O)CCCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 739694941 GLEVRUPEMYQCNQ-UHFFFAOYSA-N 395.415 -0.343 5 20 GBBD NC(=O)CS(=O)(=O)c1ccc(C(=O)OCCn2ccc([N+](=O)[O-])n2)cc1 748135144 SIOMYBNGGHQSGN-UHFFFAOYSA-N 382.354 -0.093 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 851327799 NRZPAMKQHVBIGA-QMMMGPOBSA-N 378.388 -0.781 5 20 GBBD C[C@H]1CN(CCCNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 1323905732 OWOKJACTAVANOW-STQMWFEESA-N 382.421 -0.477 5 20 GBBD O=C(c1cnc(O)c([N+](=O)[O-])c1)N(Cc1cnn[nH]1)[C@H]1CCS(=O)(=O)C1 1578038188 DSSBECAHKZUGQE-JTQLQIEISA-N 382.358 -0.357 5 20 GBBD CCNC(=O)CC(=O)NCCN(C)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] 1578229073 UBYLNVFGIQWQBB-UHFFFAOYSA-N 376.377 -0.147 5 20 GBBD CNC(=O)NC[C@@H]1CN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CCO1 1591210327 GISCSDZHOFUKSS-SNVBAGLBSA-N 376.377 -0.095 5 20 GBBD CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1783962917 XINOJRVPKSDQCL-UKJIMTQDSA-N 381.389 -0.318 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)n1 1843587018 ODBCCALJNNGUES-UHFFFAOYSA-N 392.372 -0.516 5 20 GBBD O=C(c1cc(O)nc(O)n1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411667 SAAWAGCDVKJYSZ-UHFFFAOYSA-N 389.328 -0.350 5 20 GBBD Cc1cccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1[N+](=O)[O-] 9022514 HZYXWLSMYCKFQC-UHFFFAOYSA-N 376.325 -0.077 5 20 GBBD CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCS(=O)(=O)C1 23011820 BUDCGWSFQNEMNY-VIFPVBQESA-N 381.366 -0.164 5 20 GBBD C[C@H]1OCCN[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 261886621 FYICYUKPTAELIW-YGRLFVJLSA-N 386.430 -0.097 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1[N+](=O)[O-] 265337584 AOIJCQACMWMPEW-ZDUSSCGKSA-N 394.384 -0.303 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 273162839 CNFPOOOJPBPJNK-UHFFFAOYSA-N 378.385 -0.083 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(N)=O)c([N+](=O)[O-])c1 275075324 HPHFLLGADJTMIT-LDYMZIIASA-N 387.370 -0.057 5 20 GBBD NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 420585087 MTQDQPFLTQWRSH-UHFFFAOYSA-N 391.384 -0.799 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 445191484 LTAZMAOIIKMHCN-LBPRGKRZSA-N 393.400 -0.300 5 20 GBBD Cn1cc(C(N)=O)cc1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 445914758 WZOPOAAMBKBWGM-UHFFFAOYSA-N 395.397 -0.260 5 20 GBBD CC[C@@H](CNS(C)(=O)=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 456062144 NXOFDQRZJRNRQK-VIFPVBQESA-N 398.397 -0.365 5 20 GBBD C[C@]1(C(N)=O)CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 478540637 HUTNXSVAAXXJAU-HNNXBMFYSA-N 384.414 -0.013 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 508535584 UMLJLJJHLWUMRN-GFCCVEGCSA-N 395.416 -0.006 5 20 GBBD C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 563372893 AVCPPXQKQMEJIY-LBPRGKRZSA-N 386.430 -0.290 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)Nc2ccn(CCO)n2)c(C)c([N+](=O)[O-])c1 577520289 QJELIXOHBODENH-UHFFFAOYSA-N 391.340 0.456 5 20 GBBD NC(=O)C1=NO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 793900970 FFWPOQXXEALGQG-NSHDSACASA-N 377.357 -0.209 5 20 GBBD CN1C(=O)CN(CC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 860302160 LWPOCKGLRYXCHZ-UHFFFAOYSA-N 394.296 -0.301 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 52362209 CZRUNEYLNIIJLJ-UHFFFAOYSA-N 397.413 -0.831 5 20 GBBD CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 266561588 XZGOQAFBWVQZCR-HIFRSBDPSA-N 397.432 -0.114 5 20 GBBD Cc1c(C(=O)NCCC(=O)NS(C)(=O)=O)nnn1-c1cccc([N+](=O)[O-])c1 282251426 OLVYTFSXVDTYRI-UHFFFAOYSA-N 396.385 -0.320 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] 290023087 VGWYTPYAKIIAKV-UHFFFAOYSA-N 385.395 -0.088 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NCCN2C(=O)CCC2=O)cc1[N+](=O)[O-] 416390970 POMJIHLRVYCRLT-UHFFFAOYSA-N 385.354 -0.191 5 20 GBBD C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1ccccc1[N+](=O)[O-] 424524278 UYCPLMJOJYXOEJ-SKDRFNHKSA-N 399.381 -0.518 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccn(CCC(N)=O)n1 469550524 WOUSGMAFECYJIJ-SNVBAGLBSA-N 378.393 0.538 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 476363472 HKOCMZMNMZRJCW-UHFFFAOYSA-N 388.388 -0.413 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 485686027 VPVDFDTVMQSGFX-JTQLQIEISA-N 386.338 -0.264 5 20 GBBD COC(=O)[C@H]1CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCO1 490608956 OPHWTQSDSGYGDS-CYBMUJFWSA-N 381.341 -0.266 5 20 GBBD C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 546899425 UGCSOPXMCCGPQL-TXEJJXNPSA-N 386.434 -0.139 5 20 GBBD Cn1cc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(=O)n(C)c1=O 577615050 SURLMLDDLIVGCP-UHFFFAOYSA-N 382.354 -0.352 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] 597636991 AMDHRQUXGRRDMM-JTQLQIEISA-N 397.388 -0.038 5 20 GBBD O=C(NCC(=O)N(CCO)CCN1CCOCC1)Nc1cccc([N+](=O)[O-])c1 598900762 VCRICGUZODMSNT-UHFFFAOYSA-N 395.416 -0.131 5 20 GBBD CCOC(=O)c1cc(S(=O)(=O)N[C@@H](COC)C(N)=O)cc([N+](=O)[O-])c1C 758487009 RWFSEYHWCVQFHW-NSHDSACASA-N 389.386 -0.141 5 20 GBBD CN1CCC[C@H]1C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821623413 LDKZSRZTWGGUJZ-LBPRGKRZSA-N 387.404 -0.087 5 20 GBBD CN(C(=O)Cn1cnc([N+](=O)[O-])n1)S(=O)(=O)c1ccc2c(c1)OCCO2 919665394 VPKMFSUGXMQIAD-UHFFFAOYSA-N 383.342 -0.195 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c1 1607079897 NXIKGIJLHFIMLO-NSHDSACASA-N 394.417 -0.947 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788812910 AOCJACFLJJEEEX-QXEWZRGKSA-N 391.344 -0.392 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@H]1CCCO1 1795899531 MXSDMBHEJBPYOH-LYIQGSDWSA-N 379.373 -0.300 5 20 GBBD C/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508139 MBPJTRFNOKKHRI-WOMSROEHSA-N 379.373 -0.036 5 20 GBBD CC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998497 MAUKDZNKWLLVKI-CQSZACIVSA-N 392.416 -0.091 5 20 GBBD O=C1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)CN1 1843387974 HRZQCWVSMKAYQV-SNVBAGLBSA-N 376.373 -0.339 5 20 GBBD O=C(c1ncc[nH]1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823958 LIXWGCOVQWMAAL-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD CN(CCN1CCOCC1)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 288524373 PKBPUOAJOZGXBD-UHFFFAOYSA-N 390.400 -0.122 5 20 GBBD CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 298314255 POVLVIPQGVBPRF-UHFFFAOYSA-N 378.432 -0.293 5 20 GBBD CCC(CC)(NC(=O)C1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C(N)=O 504665837 MGVHBTYYJZERSS-ZDUSSCGKSA-N 382.421 -0.756 5 20 GBBD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc([N+](=O)[O-])c1N 531387761 SNKDTFICIUWCPZ-JTQLQIEISA-N 384.414 -0.058 5 20 GBBD C[C@@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1 544508420 HTHDAJLDIAOPRU-MNOVXSKESA-N 384.414 -0.096 5 20 GBBD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 545377849 LHBOKOVPVCOPGJ-GFCCVEGCSA-N 394.432 -0.129 5 20 GBBD O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 577294759 TZFDARZULCMEBL-CYBMUJFWSA-N 378.428 -0.394 5 20 GBBD Cn1ccc(CCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 580000628 QDGCWJHPKXOZII-UHFFFAOYSA-N 387.400 -0.269 5 20 GBBD CNS(=O)(=O)c1ccc(NCCC(=O)NCCC(=O)OC)c([N+](=O)[O-])c1 599170751 PYTZKVCHBPMTDP-UHFFFAOYSA-N 388.402 -0.016 5 20 GBBD CS(=O)(=O)NCCNC(=S)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 727074059 PYBITQJWSYIDOQ-UHFFFAOYSA-N 388.475 -0.465 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(=O)OC)c([N+](=O)[O-])n1 833681541 DMTNWUJNHKNNPT-DTWKUNHWSA-N 390.374 -0.162 5 20 GBBD COc1ccc(CNC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 1321772817 JXTOVPQTAVGPNP-NSHDSACASA-N 377.357 -0.544 5 20 GBBD CN(C)C(=O)c1ccc(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 1322987068 CIWYPEQOJNBKFE-UHFFFAOYSA-N 388.384 -0.074 5 20 GBBD CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1604268191 KKFDLODTJHSWTG-MRVPVSSYSA-N 383.390 -0.080 5 20 GBBD Cn1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)n1 1794275751 TUGLSSJOSHRFSX-ZSBIGDGJSA-N 388.388 -0.128 5 20 GBBD CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795724192 GBBCAFQLVRKXDU-WRWGMCAJSA-N 380.405 -0.481 5 20 GBBD O=C(Cn1cccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795870364 BHSOCJLZWAMALD-GNXNZQSNSA-N 389.372 -0.582 5 20 GBBD Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])cn1 1796401472 FDLIXGWNJAMLAT-ZSBIGDGJSA-N 389.372 -0.432 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCCCN2C(=O)C(O)O)CC1 1824022637 UVAIBGIMRMXOIA-AWEZNQCLSA-N 395.416 -0.278 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCC(=O)N1CCOCC1 45067099 IUMTXQPKBHUUDC-UHFFFAOYSA-N 392.368 -0.315 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 275018172 LHSIXQSTHIHTKO-UHFFFAOYSA-N 391.427 -0.236 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)[C@H](O)C(=O)OC 277117062 UZYAQCAEGLZIGF-LLVKDONJSA-N 390.370 -0.028 5 20 GBBD CCOc1cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])cc1OCC 277658171 ZPIDMOAKIXWSSL-VXGBXAGGSA-N 383.357 -0.105 5 20 GBBD Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 283840715 BNMXXPMVBGRKOY-UHFFFAOYSA-N 380.386 -0.130 5 20 GBBD Cc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] 299703641 YRPBJVTYXZMKRZ-CABCVRRESA-N 383.426 -0.181 5 20 GBBD NC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420042554 NMERRRRNQYEHAI-SMDDNHRTSA-N 398.441 -0.272 5 20 GBBD CN1CCC[C@@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O 498874438 QGNUUBDBCIQUQI-GFCCVEGCSA-N 378.389 -0.308 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 523240279 GVORADJPCUVBTD-UHFFFAOYSA-N 380.386 -0.258 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cnn1C 558074877 TVEGEUHDZRFQJK-UHFFFAOYSA-N 387.400 -0.003 5 20 GBBD O=C(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCN([C@H]2CCNC2)CC1 570674097 XTMGZBNCJSUQPF-HNNXBMFYSA-N 387.440 -0.014 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@@H](O)Cn1ccnn1)OCCO2 573268066 YUUZRJOHIOQVSV-SECBINFHSA-N 385.358 -0.703 5 20 GBBD NC1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOCC1 599963256 FUQYYTWHTHLALA-UHFFFAOYSA-N 392.416 -0.738 5 20 GBBD COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 600011657 QTJBOOWLDLSPIH-RKDXNWHRSA-N 386.390 -0.844 5 20 GBBD CSCC[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(N)=O 600255769 QNSVKPMNLRHORO-VIFPVBQESA-N 380.382 -0.086 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccn(CC(=O)N2CCOCC2)n1 609756799 VZRIQXIPDLCHAN-UHFFFAOYSA-N 390.356 -0.550 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 619471576 KQVUUMZTTMCCRC-SECBINFHSA-N 394.383 -0.524 5 20 GBBD CCN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 619803322 PAPHZVPBSUZQBP-NSHDSACASA-N 399.429 -0.207 5 20 GBBD Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])CC2 1323648499 FKORMDGQXPMCGV-UHFFFAOYSA-N 385.380 -0.068 5 20 GBBD O=C(NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(=O)NCC(F)F 1606780182 HWKORTRKTOCNTN-UHFFFAOYSA-N 384.303 -0.316 5 20 GBBD O=C1NC[C@@H](C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)O1 1841998644 DPMNCHYWQXTAIL-NSHDSACASA-N 378.345 -0.897 5 20 GBBD O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845473604 KRNNACCGUIDKQH-GJZGRUSLSA-N 390.396 -0.160 5 20 GBBD Cc1noc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)n1 1848161727 DCQBQAWDBUESDF-STQMWFEESA-N 389.372 -0.073 5 20 GBBD O=C(CN1CC[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 270004910 ITJIXOZXNOUBEH-CQSZACIVSA-N 398.441 -0.506 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 276511537 RHIIDQYNJCCCMN-CABCVRRESA-N 383.426 -0.181 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c(C)c([N+](=O)[O-])c1 276941793 UVHNYDAAZWFMMK-VIFPVBQESA-N 392.324 -0.450 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 376051464 WYLIYXORXYTEMH-UHFFFAOYSA-N 390.356 -0.597 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCCO1 449713584 YMNNAQFGSBFFTI-CYBMUJFWSA-N 386.430 -0.242 5 20 GBBD C[C@@](O)(CO)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 480853249 PNCJLPNGBSFDNM-AWEZNQCLSA-N 375.403 -0.229 5 20 GBBD CS(=O)(=O)N1CC(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 494278007 WOSDTLWTLOORAF-UHFFFAOYSA-N 377.444 -0.052 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 500797644 CMCYSFJNXRERHO-NSHDSACASA-N 387.418 -0.405 5 20 GBBD CC[C@H](C)[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NCCN1CCOCC1 501209592 OEBUJSCZWGJPNT-JSGCOSHPSA-N 396.448 -0.079 5 20 GBBD O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)N1CCS(=O)(=O)CC1)CCO2 589306997 XPJORQWPYNBRPV-UHFFFAOYSA-N 391.427 -0.236 5 20 GBBD Cn1cc(S(=O)(=O)NCCOC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cn1 744927177 IEOPWGOLZPTAIX-UHFFFAOYSA-N 386.390 -0.218 5 20 GBBD O=C(CNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1)NCCN1CCOCC1 771510823 UDWUDTFMUWOLMU-UHFFFAOYSA-N 394.413 -0.222 5 20 GBBD COC(=O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 819575718 FAWBVLDEDRCPBU-UHFFFAOYSA-N 380.357 -0.550 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])C1 1332390110 DZHHWHREGANFOP-KGLIPLIRSA-N 393.396 -0.022 5 20 GBBD O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1606618898 OWSJWYCSHQLLBU-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD NC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1827583774 IGHPDKGCSZTIFX-STQMWFEESA-N 393.448 -0.163 5 20 GBBD C[C@@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412921 FJFWTHAXNDJIGM-HNNXBMFYSA-N 395.372 -0.249 5 20 GBBD C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845180437 CNBHASKBHTYZAK-LBPRGKRZSA-N 391.384 -0.906 5 20 GBBD COCCN1CCN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1=O 273003565 YAYXVGHPRJPKBS-UHFFFAOYSA-N 380.357 -0.141 5 20 GBBD CC(=O)NCCNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 422138517 QYIWUUAKDASOGN-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD CC(=O)N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 422151323 CPKPTJPPVIKRAE-LBPRGKRZSA-N 399.429 -0.207 5 20 GBBD O=C(NC[C@H]1CNCCO1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 423993801 RFWKMZLMYYQRMR-UKRRQHHQSA-N 398.441 -0.148 5 20 GBBD CCNCCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 518348245 IBNJEHIZPNLLOS-UHFFFAOYSA-N 391.428 -0.005 5 20 GBBD CNS(=O)(=O)N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 570554172 WNOCKOVVHGXDRG-CQSZACIVSA-N 383.430 -0.218 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C 597300439 JFEJKNAUJNQYPX-YPMHNXCESA-N 385.398 -0.552 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(NS(N)(=O)=O)CC1 599489056 NDYVGPSCKVVJCK-UHFFFAOYSA-N 394.431 -0.450 5 20 GBBD COc1ccc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 599489519 YUHAFUQRCTUVMK-UHFFFAOYSA-N 394.431 -0.450 5 20 GBBD CS(=O)(=O)CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 777886913 AHEHFAJWINXKCS-UHFFFAOYSA-N 393.399 -0.126 5 20 GBBD COCCN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1=O 1117347619 RHCXEGUILLOZQV-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 18059249 RCSAGWGGZLOZFA-UHFFFAOYSA-N 383.430 -0.357 5 20 GBBD NC(=O)[C@H]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 280285063 WTBFPKXVRMUCAT-GHMZBOCLSA-N 386.386 -0.978 5 20 GBBD CN(C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 281385947 WKZJHCRHKCUJNM-OBJOEFQTSA-N 399.425 -0.034 5 20 GBBD CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 291791351 IXEFCELFRBFAEK-SNVBAGLBSA-N 392.459 -0.027 5 20 GBBD COCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 298787032 KWQBMHWHTMMDKP-UHFFFAOYSA-N 394.384 -0.350 5 20 GBBD COc1ccc(S(=O)(=O)N2CC(NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 378311261 KDUKSAUFYLKBIN-UHFFFAOYSA-N 395.397 -0.011 5 20 GBBD CCNCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 419882986 CXCJQCILNHAIFA-UHFFFAOYSA-N 377.401 -0.395 5 20 GBBD CN(C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCO1)c1nccn(C)c1=O 434752335 MHSWCFFCAKZFLA-GFCCVEGCSA-N 377.405 -0.241 5 20 GBBD CC[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC 458393707 BLDRNIBIGFMEFZ-SNVBAGLBSA-N 387.418 -0.303 5 20 GBBD COCc1nc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 479727090 AAMGHLIQXLPVOK-UHFFFAOYSA-N 385.358 -0.168 5 20 GBBD CN(C)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O 521459419 WIRRMJZYSPUSTR-KBPBESRZSA-N 386.430 -0.651 5 20 GBBD CN(C)S(=O)(=O)CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542681839 QXLMZDOMUDJDTK-UHFFFAOYSA-N 379.416 -0.624 5 20 GBBD O=C(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CCCCCC1 554453189 XRIPUNGQZUIHKP-UHFFFAOYSA-N 379.417 -0.135 5 20 GBBD CNc1nccc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] 571896349 YGZAPVIZRVLMRN-CYBMUJFWSA-N 376.417 0.456 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)NCCN1CCN(c2ncccn2)CC1 584563374 FXHQIYPIZZGWSS-UHFFFAOYSA-N 393.429 -0.120 5 20 GBBD O=C(NC[C@@H]1COCCN1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 861801645 VQXXCWDTUKWLER-CYBMUJFWSA-N 377.401 -0.652 5 20 GBBD Cc1nnc(CNC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1C 1345539964 MRNBQFOFAQHALG-UHFFFAOYSA-N 387.400 -0.003 5 20 GBBD CC(=O)N1CC(C(=O)NCCN(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1588805018 IGMYBBYFZQNWJW-UHFFFAOYSA-N 388.388 -0.194 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)CNC(C)=O)C3)n1 1843586863 WUXGRBHSEGEAEA-UHFFFAOYSA-N 391.384 -0.049 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)c2ncon2)C1 1844593978 ZTODOXJFDBCYJI-UHFFFAOYSA-N 388.340 -0.343 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 264385575 GIGONHACZQBBFA-GFCCVEGCSA-N 397.457 -0.011 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(C)(CO)CO 273653495 ZHBXHSLIDQVDMW-UHFFFAOYSA-N 376.387 -0.007 5 20 GBBD CN(CC(=O)N1CC(=O)NCC1(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 281844567 ATNQSQWJUWRPGN-UHFFFAOYSA-N 384.414 -0.048 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 287582196 AFOBUCATQPMYJS-LBPRGKRZSA-N 390.356 -0.939 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 468709974 BZRQHTBYAYYAJE-JTQLQIEISA-N 377.357 -0.150 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)N[C@@H]1CCS(=O)(=O)C1 512763345 LFURFJMQNUMXIF-MRVPVSSYSA-N 397.456 -0.372 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 591567309 FAISZKRCKDUNGC-AWEZNQCLSA-N 392.368 -0.445 5 20 GBBD CN1C(=O)CN(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 599760560 IEUWNQGSRGEXPU-UHFFFAOYSA-N 384.370 -0.621 5 20 GBBD CN(CC(=O)OCCN1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739171161 YALPLSGDNSKGOZ-UHFFFAOYSA-N 386.386 -0.216 5 20 GBBD NS(=O)(=O)CC1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 745972118 RITKFWPWCJOSKT-UHFFFAOYSA-N 378.432 -0.253 5 20 GBBD CS(=O)(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 750757621 BVNQDCULOOVIQL-VIFPVBQESA-N 378.388 -0.781 5 20 GBBD C[C@@H](OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCS(=O)(=O)C1 783379794 UNGQMVOHFWQQQN-ZJUUUORDSA-N 388.402 -0.239 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(CCO)CC2)c1-c1nn[nH]n1 826500449 YQFXUJZFDGMHNX-UHFFFAOYSA-N 397.417 -0.490 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 1118221211 PSWQMFKAFFFZBU-CHWSQXEVSA-N 379.369 -0.098 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 1325585831 DNLMJULBRHLEAI-UHFFFAOYSA-N 378.385 -0.130 5 20 GBBD CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1327033197 MWTUEVYZKKIFHY-GFCCVEGCSA-N 384.414 -0.297 5 20 GBBD O=C(C(=O)N1CCS(=O)(=O)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1330899396 WVFKFWQIFJQCIE-UHFFFAOYSA-N 396.425 -0.500 5 20 GBBD CNC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1604884767 GIOZYTGAFYVGKR-UHFFFAOYSA-N 389.376 -0.648 5 20 GBBD C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1799732341 LWPCFOLTFCYBAE-ADGXKJENSA-N 379.369 -0.116 5 20 GBBD CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834717143 JDTAIRBHEDNWBV-INIZCTEOSA-N 380.357 -0.418 5 20 GBBD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273423141 SOOFWUPXSCXTRK-IINYFYTJSA-N 399.425 -0.240 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C2 275977031 ASMNRAHDVWEDNX-UHFFFAOYSA-N 389.372 -0.840 5 20 GBBD Cc1c(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cccc1[N+](=O)[O-] 275982289 HPXOYJBVEFFSSX-ZDUSSCGKSA-N 380.401 -0.007 5 20 GBBD Cc1c(C(=O)NCCS(=O)(=O)N(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 291978154 JEQXTRQWODDNJN-UHFFFAOYSA-N 394.431 -0.828 5 20 GBBD CC(=O)N1CC(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 469743790 HQPKMCGRMFZHDH-UHFFFAOYSA-N 385.402 -0.609 5 20 GBBD O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471327030 KTTFALYUIWEYQT-ZIAGYGMSSA-N 387.389 -0.350 5 20 GBBD Cc1nn(CCC(=O)Nc2cnn(CC(=O)NCCO)c2)c(C)c1[N+](=O)[O-] 476177094 VRBXGNAAFUOQQN-UHFFFAOYSA-N 379.377 -0.258 5 20 GBBD COC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC 479910041 CEFCDSYQOGGEAX-MRVPVSSYSA-N 376.343 -0.168 5 20 GBBD COC(=O)c1cn(C2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)nn1 545344572 DPEJXBQHCDTXTH-UHFFFAOYSA-N 382.358 -0.318 5 20 GBBD O=C(C1CCC1)N1CCN(CCNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 562993368 FBODONUBVDCTKX-INIZCTEOSA-N 380.449 -0.314 5 20 GBBD COCCN(C)CCN1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1=O 588882130 KBIIVRPPCMMPSL-CYBMUJFWSA-N 395.416 -0.948 5 20 GBBD CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 597574945 USSMREQEOAKCDU-HNNXBMFYSA-N 386.430 -0.229 5 20 GBBD CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599244936 NGAKGIYKMGTKAX-LLVKDONJSA-N 380.423 -0.249 5 20 GBBD NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 609835164 RXLOIRYWPAYNRT-UHFFFAOYSA-N 378.366 -0.007 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 735405172 GJSSPTLYXNRGPS-UHFFFAOYSA-N 379.354 -0.418 5 20 GBBD CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 757729463 UTWXVHYKZVTEPY-VIFPVBQESA-N 382.192 -0.258 5 20 GBBD CC(=O)NCCNc1cc(NCCNC(C)=O)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 819810976 SBDCXQRHLLTNJY-UHFFFAOYSA-N 391.392 -0.129 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 1326214130 NGBYMTXCOQYDTM-CHWSQXEVSA-N 379.369 -0.064 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 45410877 HNBHVWYZTWDNLX-ZDUSSCGKSA-N 380.357 -0.095 5 20 GBBD CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)NCCO 269544557 MORLLTKPPONNOU-CYBMUJFWSA-N 398.441 -0.329 5 20 GBBD NC(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 270637894 HLMRHECUKXHMTN-NSHDSACASA-N 399.429 -0.137 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC(=O)NC(N)=O)c(C)c1[N+](=O)[O-] 276848272 QWNNFDJQRXWMHE-UHFFFAOYSA-N 389.346 -0.017 5 20 GBBD CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 285395669 SUHUQJQTJDRPMP-CHWSQXEVSA-N 387.370 -0.068 5 20 GBBD CCN(CCS(C)(=O)=O)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 288416204 JXEBSNFFGOEXMM-UHFFFAOYSA-N 397.413 -0.020 5 20 GBBD CC[C@@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 292809496 IMNXUDGYELTMGU-CQSZACIVSA-N 399.385 -0.375 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 298207485 JCKVTUDEBKHYBQ-UHFFFAOYSA-N 380.404 -0.887 5 20 GBBD CCN(CC)C(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 298816100 WAKUOHFVAGVLJF-UHFFFAOYSA-N 379.417 -0.231 5 20 GBBD CO[C@@H]1CN[C@@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 365160313 HZPSCFUAUPTMRD-GXFFZTMASA-N 386.430 -0.097 5 20 GBBD CCS(=O)(=O)N1CC(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 438887610 RDDZVIOFRJKTOM-UHFFFAOYSA-N 378.432 -0.064 5 20 GBBD CNc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] 471318086 CEQUDXUANACHJB-ZIAGYGMSSA-N 398.441 -0.448 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 508535586 UMLJLJJHLWUMRN-LBPRGKRZSA-N 395.416 -0.006 5 20 GBBD CCn1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 533180225 FMWSMLHTKZUFIX-ZJUUUORDSA-N 395.463 -0.193 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 566405274 ZFHYRROYLRLXBC-UHFFFAOYSA-N 388.402 -0.579 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[C@H](O)C2)C1 599939237 UAWZTODHLLSREB-KGLIPLIRSA-N 390.396 -0.012 5 20 GBBD CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCn1cc([N+](=O)[O-])ccc1=O 825933860 HAOWDWXKTVDXFN-UHFFFAOYSA-N 388.392 -0.194 5 20 GBBD C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC(=O)O 827826243 MJXZRDLPMVBHBB-BDAKNGLRSA-N 383.313 -0.075 5 20 GBBD CN(CCNS(C)(=O)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1322785103 ZXXQCQWAOUSNKF-UHFFFAOYSA-N 399.473 -0.276 5 20 GBBD C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1323035654 SLOMKIQYOQTXOI-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD O=C(CN1C(=O)CNC1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1323367340 LYAGRFLIWCPFDF-UHFFFAOYSA-N 381.370 -0.508 5 20 GBBD C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCN1CCO 1590310706 TXJIGTOSXIPTQC-JTQLQIEISA-N 397.417 -0.538 5 20 GBBD O=C1COC[C@]2(CNc3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])COCCN12 1593400594 RUUXJUGGNYWPCD-ZDUSSCGKSA-N 381.374 -0.124 5 20 GBBD NC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1796782769 DYQBWZAIBJPJRV-OXIQGZBJSA-N 377.401 -0.162 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010783 BTUFJDHVRZJHCN-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1)c1ccc([N+](=O)[O-])[nH]1 1799921208 ZFIRPSLYZWVZKB-ZUDIRPEPSA-N 377.401 -0.103 5 20 GBBD NC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc[nH]c2[N+](=O)[O-])n[nH]1 1818075737 MPTDKJZCVLBHRT-WCBMZHEXSA-N 391.392 -0.367 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000434 YJNJGQRSFMYZIQ-NSHDSACASA-N 378.389 -0.481 5 20 GBBD O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)N1 15928727 GAYJGGZXILWRFV-CYBMUJFWSA-N 382.398 -0.294 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])s1 264212813 UBHYLJMNQIYMDW-ZJUUUORDSA-N 375.428 -0.116 5 20 GBBD COC[C@@H](C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265398430 JSYCAHMQGZSZNV-SNVBAGLBSA-N 381.432 -0.173 5 20 GBBD O=C(CN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 267457995 KHXKWBAWMHIJGR-JTQLQIEISA-N 381.776 -0.171 5 20 GBBD CN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc([N+](=O)[O-])nc1 288685483 CYUOXWFXEGNWLM-UHFFFAOYSA-N 387.356 -0.210 5 20 GBBD COC[C@]1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCNC1 423095203 LPTZPEZSTCMHDG-HNNXBMFYSA-N 386.430 -0.385 5 20 GBBD NC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 423649788 PTBDXALSVQTHRK-NSHDSACASA-N 395.441 -0.110 5 20 GBBD COC[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 525264548 ZUSSVEWCDUQWGA-AWEZNQCLSA-N 375.403 -0.223 5 20 GBBD CN1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 550362453 PFIBKXXYCOFVLD-UHFFFAOYSA-N 376.417 -0.151 5 20 GBBD CN(C)CC[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 593901947 KQYNBLIMZDXLIU-LBPRGKRZSA-N 387.462 -0.195 5 20 GBBD COC(=O)[C@@H](C)NC(=O)c1ccc(N2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 599128650 UKUCYSYIJRDZJA-WXHSDQCUSA-N 381.385 -0.077 5 20 GBBD O=C(O)[C@@H]1[C@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1610732574 FWJHFYKULQDABV-ABAIWWIYSA-N 379.325 -0.243 5 20 GBBD COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837793872 DWCATLIAHZZEFG-OAHLLOKOSA-N 383.361 -0.966 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 264200642 QIMDHWZDPMHANV-LSDHHAIUSA-N 399.425 -0.412 5 20 GBBD O=C1CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 492690403 GARBMHNMIOIAOI-LLVKDONJSA-N 384.370 -0.815 5 20 GBBD CNc1nccc(C(=O)N(CCN2CCOCC2)CC(=O)OC)c1[N+](=O)[O-] 576357734 RPEOSELHIXSZGT-UHFFFAOYSA-N 381.389 -0.021 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O 580346074 KEFLCNAXWCYRHV-LBPRGKRZSA-N 398.441 -0.207 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)nc1 593540965 DWSNCFBXGCPOHQ-UHFFFAOYSA-N 378.432 -0.012 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 596747376 GCDPKUDLUZICBS-DGCLKSJQSA-N 399.429 -0.367 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)C1 611653747 PCMVNJBYVHKJNZ-WZRBSPASSA-N 385.398 -0.688 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NS(=O)(=O)[C@H]1CCOC1 733718068 DHGGULUNNREBRH-QMMMGPOBSA-N 383.338 -0.574 5 20 GBBD Cc1cc(S(=O)(=O)NC(=O)Cn2ccc(=O)n(C)c2=O)ccc1[N+](=O)[O-] 734736445 SLVCZYZCQMJBSV-UHFFFAOYSA-N 382.354 -0.731 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)N2CCOCC2)cc([N+](=O)[O-])c1 750726781 AEJVWHJPIPVYJL-UHFFFAOYSA-N 393.399 -0.695 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 824300117 DCSLZTFSQDCFCO-UHFFFAOYSA-N 388.388 -0.052 5 20 GBBD C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] 825001027 WEDSRAXGCQMNSH-SECBINFHSA-N 399.375 -0.351 5 20 GBBD CN(CCF)C(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1326254471 LORXACPFHYGWES-UHFFFAOYSA-N 390.393 -0.241 5 20 GBBD CNS(=O)(=O)N1CCN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1591220417 QMWPTRSTJAAHMV-UHFFFAOYSA-N 386.369 -0.500 5 20 GBBD O=C(CN1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798686023 ZTRVPKMKXFDHSD-CLLJXQQHSA-N 392.416 -0.098 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 265193515 CQSISNSKQIGEOO-UHFFFAOYSA-N 379.417 -0.087 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 266213019 YJUNBVISNXAGEH-UHFFFAOYSA-N 387.414 -0.108 5 20 GBBD COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1 269159939 UGUHWRAYDKMUTB-UHFFFAOYSA-N 386.390 -0.526 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)OC)cc1[N+](=O)[O-] 275356711 HYEOJCJKIFUXEX-VIFPVBQESA-N 377.331 -0.415 5 20 GBBD CS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 283970127 IPJOKFDNMDXIML-UHFFFAOYSA-N 384.414 -0.596 5 20 GBBD COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 365892495 DPWVLZZDENAKGD-SKDRFNHKSA-N 391.336 -0.020 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)OC)cc1[N+](=O)[O-] 416467417 BSMKPTUAMZWDPA-NSHDSACASA-N 390.370 -0.028 5 20 GBBD NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O 416555370 XEMOGESORNQQAY-UHFFFAOYSA-N 376.778 -0.434 5 20 GBBD O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)N1CCOC[C@H](O)C1 453818641 CQDAAHDCWQDWBR-SNVBAGLBSA-N 381.341 -0.086 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 543845005 AWJPPJNJUIIXFB-ZDUSSCGKSA-N 379.373 -0.633 5 20 GBBD Cn1c(N)c(C(=O)CN2CCOc3ccc([N+](=O)[O-])cc3C2)c(=O)n(C)c1=O 589305389 DQKJDLURXNYXHL-UHFFFAOYSA-N 389.368 -0.348 5 20 GBBD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] 597859562 ZXEHUGGRDNLBCF-LBPRGKRZSA-N 399.429 -0.302 5 20 GBBD CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 600014691 APDRRCCDUJPNEE-LLVKDONJSA-N 379.373 -0.002 5 20 GBBD CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356934 OUNNFVLZTNPSFD-QHBPRCKVSA-N 380.357 -0.473 5 20 GBBD CC(=O)NCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825378 VKKBOCQPKZPEMG-UHFFFAOYSA-N 391.384 -0.904 5 20 GBBD CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1847788780 SMGOYRXQBPZJIU-UWVGGRQHSA-N 385.402 -0.432 5 20 GBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)NC2CC2)CC1 18059253 ZEVAJFWQNVESIY-UHFFFAOYSA-N 383.430 -0.357 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])cn([C@H](C)C(=O)N2CCN(C(C)=O)CC2)c1=O 267467366 VALPOAQTRGHJEO-SNVBAGLBSA-N 380.357 -0.205 5 20 GBBD CNC(=O)[C@H]1CN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCO1 275488186 YFDMZXLVJDTQRX-LLVKDONJSA-N 377.350 -0.122 5 20 GBBD COc1cc(OCC(=O)NCCNS(=O)(=O)NC(C)C)ccc1[N+](=O)[O-] 276937687 ALCBSQKQMQWZDZ-UHFFFAOYSA-N 390.418 -0.069 5 20 GBBD CN(CC(=O)N1CC[C@@H](CC(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 377161916 JLMFWPHUOPULCD-NSHDSACASA-N 384.414 -0.061 5 20 GBBD Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424364426 DOPIDJHJTMGEAR-NSHDSACASA-N 378.384 -0.224 5 20 GBBD NC(=O)CN1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1=O 459684253 ATDLLNKBVYOWHW-UHFFFAOYSA-N 377.357 -0.478 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCn2nncc2C1 565211102 XNQAPMVSQDAEFT-UHFFFAOYSA-N 380.386 -0.103 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 735466091 RFXGTMLWMOJHCS-UHFFFAOYSA-N 389.376 -0.337 5 20 GBBD CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)CCn1cc([N+](=O)[O-])cn1 825930739 XUHBQGBEQNEEDG-UHFFFAOYSA-N 389.380 -0.242 5 20 GBBD CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCN(CC(N)=O)C(=O)C1 837971808 OTRZTQSWPGOILD-UHFFFAOYSA-N 397.775 -0.024 5 20 GBBD CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 858901975 SLCVAZIVMBYKEQ-UHFFFAOYSA-N 395.463 -0.189 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1118123207 KNFYASNOBQBEFH-IAQYHMDHSA-N 378.385 -0.241 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@@H]12 1579867930 FFFDZYPDOAIPHR-GDPRMGEGSA-N 381.374 -0.582 5 20 GBBD COCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215886 VQOPFIGEFIWDHH-QEJZJMRPSA-N 395.416 -0.193 5 20 GBBD C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1799732345 LWPCFOLTFCYBAE-BTABJRDXSA-N 379.369 -0.116 5 20 GBBD NCC(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835100679 LZRPDCNGZNFEHC-UHFFFAOYSA-N 379.421 -0.538 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1837799989 NLCWDDWMVHHYNK-MRXNPFEDSA-N 379.373 -0.202 5 20 GBBD C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)CC1 264129999 ISWWLCQYNNDDDZ-LLVKDONJSA-N 385.398 -0.265 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 371004771 FUEHSBCUQLOMBS-LLVKDONJSA-N 384.414 -0.048 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)OC)[C@H](C)O)cc1[N+](=O)[O-] 416466209 PSGZTADMFQIXDS-CPCISQLKSA-N 376.343 -0.418 5 20 GBBD CCNCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419895285 RXVBYINZVWFWPY-UHFFFAOYSA-N 383.430 -0.334 5 20 GBBD COc1ccc(NC(=O)[C@H](C)N2CCN(CC(N)=O)C(=O)C2)c([N+](=O)[O-])c1 459700209 MQLOPINOMBLSIR-JTQLQIEISA-N 379.373 -0.440 5 20 GBBD CN(CC(=O)N1CCNCC1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 495610556 WAZHHCBRWUUTCC-UHFFFAOYSA-N 377.401 -0.395 5 20 GBBD Cc1nn(C)c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 497958144 MZNGGSLMZKZZGO-UHFFFAOYSA-N 380.405 -0.747 5 20 GBBD CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 517424592 QENBFFPVFNQKEY-UHFFFAOYSA-N 391.384 -0.270 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1COCCO1 522573758 BOQDCOPCUPVQFY-LLVKDONJSA-N 388.402 -0.412 5 20 GBBD CNC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 535591880 HDLROPWORZDDQR-UHFFFAOYSA-N 385.402 -0.643 5 20 GBBD CN(C)S(=O)(=O)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 575904349 ILGQKPPOZDYKER-UHFFFAOYSA-N 382.402 -0.043 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1COCCOC1 589866815 NYWVJQZAESQRKE-UHFFFAOYSA-N 388.402 -0.412 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cnc1C 590547041 VOQWEVUGDWRJHN-ZDUSSCGKSA-N 380.357 -0.181 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)C[C@@H]3CC(=O)N3)CC2)c([N+](=O)[O-])c1 596666426 MRAZLEGJOZBICA-NSHDSACASA-N 396.425 -0.075 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCCS(=O)(=O)CC1 609530223 CJUUIRCVHKAJOV-UHFFFAOYSA-N 381.366 -0.162 5 20 GBBD C[C@H](CS(C)(=O)=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609972209 XINJTYMGFDNSST-SNVBAGLBSA-N 393.443 -0.235 5 20 GBBD O=C(C[C@@H]1NC(=O)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O)N1CCOCC1 776278322 TUHMWMOCIYLZRD-KBPBESRZSA-N 392.368 -0.203 5 20 GBBD COC(=O)C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 778316104 CYTUUQMAELZRDH-VIFPVBQESA-N 388.354 -0.111 5 20 GBBD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCCn1ccc([N+](=O)[O-])n1 789114679 XSSZUHSECULVFX-HNNXBMFYSA-N 395.372 -0.050 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 801438573 GCWJOKCIHRBIDI-SNVBAGLBSA-N 387.370 -0.306 5 20 GBBD CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1325904922 CRSAGUGDPYNFLU-CYBMUJFWSA-N 398.441 -0.206 5 20 GBBD O=C(O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 1602199938 USSSWUSTNGULBK-QWRGUYRKSA-N 380.288 -0.047 5 20 GBBD COC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382075 AIDSGJHHNNOFMN-MRXNPFEDSA-N 395.372 -0.285 5 20 GBBD Cc1n[nH]cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009668 GADFVFWQOXENOS-DDFAGTSDSA-N 389.372 -0.134 5 20 GBBD CCC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998653 FGGKZQBOCOWJID-LBPRGKRZSA-N 392.416 -0.091 5 20 GBBD O=C(C1CC(O)C1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823664 CTJUYXSKRNVDAT-UHFFFAOYSA-N 390.396 -0.269 5 20 GBBD C[C@@H](NC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 268887074 GSGQWTFWCBCTKK-SECBINFHSA-N 399.381 -0.332 5 20 GBBD COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 281093380 PFYNBUFIZSBPFI-UHFFFAOYSA-N 395.416 -0.995 5 20 GBBD C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1 297104298 GCQNHNWLDBYTAY-JTQLQIEISA-N 385.402 -0.597 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 409794019 UDJSBIJEOBVWQP-VHSXEESVSA-N 395.463 -0.193 5 20 GBBD NC[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 417322023 MHJQRSRQDBJYEC-GFCCVEGCSA-N 387.418 -0.758 5 20 GBBD Cc1[nH]c(=NC[C@H]2CCCC(=O)N2)[nH]c(=NC[C@H]2CCCC(=O)N2)c1[N+](=O)[O-] 432926326 FJMVPUNBXGJIRZ-VXGBXAGGSA-N 391.432 -0.302 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 536378624 QGHDONOXMDSANL-UHFFFAOYSA-N 391.384 -0.950 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@@](C)(O)CO 555085797 ZOXRHYQGPGBTJD-YMTOWFKASA-N 375.403 -0.101 5 20 GBBD Cc1c(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 573644752 CJSRHDQNAQVCQB-MRXNPFEDSA-N 398.441 -0.263 5 20 GBBD O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 578997502 GWTCCOKJJGYPPP-ZYDPBQMLSA-N 375.385 -0.451 5 20 GBBD C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O 598538690 FQQLVHVFWBDMOO-SECBINFHSA-N 379.416 -0.578 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc([N+](=O)[O-])cnc1C 598911456 UIUXOPOOWXNEGJ-JQWIXIFHSA-N 391.340 -0.394 5 20 GBBD Cc1c(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 610926748 LHNJSLAOQPCTFL-IINYFYTJSA-N 386.430 0.000 5 20 GBBD CC(C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 820132408 JMBOSYYFLFFFAC-UHFFFAOYSA-N 383.390 -0.080 5 20 GBBD COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1323045544 YEBCYQMPUWNZPU-CQSZACIVSA-N 379.369 -0.017 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] 1604930850 TWBVHAOQDWPQQP-GFCCVEGCSA-N 375.345 -0.362 5 20 GBBD Cn1nc(C(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)cc1O 1844411191 LKDIPWMVALSQOL-UHFFFAOYSA-N 375.345 -0.112 5 20 GBBD CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 23755269 AVZRYVXBURYRJD-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 298812826 WJRQYPWBEZDMIY-UHFFFAOYSA-N 396.385 -0.154 5 20 GBBD NC[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 420024547 AOBGOJPOOQOQOL-OAHLLOKOSA-N 389.412 -0.267 5 20 GBBD C[C@H]1CO[C@@H](CO)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 511332671 ILYDLDZZQJHFIK-WCQYABFASA-N 387.414 -0.129 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 748912279 PXOKMFFGGFYEQI-UHFFFAOYSA-N 392.368 -0.620 5 20 GBBD O=C(CCCN1C(=O)CNC1=O)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 917446965 NLWREVBESXPALX-UHFFFAOYSA-N 388.333 -0.129 5 20 GBBD O=C(CN1C(=O)c2ccccc2C1=O)Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1592864327 UTEJYYYSCMCDML-UHFFFAOYSA-N 382.296 -0.163 5 20 GBBD O=C(CN1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792541985 LTICTFKMNGZGEH-JJLQDPRZSA-N 392.416 -0.383 5 20 GBBD CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842837886 SYXDNWLQCGUNPE-UHFFFAOYSA-N 391.384 -0.952 5 20 GBBD COCCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824293 YTBWTCHVLLXELM-UHFFFAOYSA-N 378.385 -0.004 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 69411203 AQEINYGAFRWPGX-JTQLQIEISA-N 391.427 -0.576 5 20 GBBD C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 270883429 OTPMHSOVOJEUPW-VXGBXAGGSA-N 378.385 -0.235 5 20 GBBD COC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)OC 298067594 LVZMRFPZPNQIEV-SECBINFHSA-N 376.343 -0.014 5 20 GBBD C[C@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 376873019 WTRWUUNZCJLRJH-MDZLAQPJSA-N 387.414 -0.394 5 20 GBBD COC(=O)[C@@H]1CN(C)CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 413915191 HEDHQQUGPFNFFJ-CYBMUJFWSA-N 378.385 -0.112 5 20 GBBD O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 552176537 IRLZXAAGWNWLSK-ZDUSSCGKSA-N 388.428 -0.009 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(n2cnnn2)CC1 597263126 WXBPYLGVRZTJPG-UHFFFAOYSA-N 381.374 -0.835 5 20 GBBD O=C(O)CCNC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 739734479 LBEZZOGGALLKNM-SECBINFHSA-N 383.313 -0.074 5 20 GBBD Cc1ccccc1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)S(=O)(=O)CCO 851156171 YRCMMFNGBFLIQW-UHFFFAOYSA-N 383.386 -0.154 5 20 GBBD CON(C)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 853755338 MBHXAJNCMUEMSM-UHFFFAOYSA-N 375.407 -0.335 5 20 GBBD CN(C)CCNC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 921142375 BRTPLBSRGOXXHI-UHFFFAOYSA-N 375.476 -0.101 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1322910754 HPBKFEAITPZBEN-CYBMUJFWSA-N 398.441 -0.349 5 20 GBBD COc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN)C3)ccc1[N+](=O)[O-] 1799249030 NAQSGHMYYPKWDW-IVWMJMPLSA-N 392.412 -0.306 5 20 GBBD Cn1c(COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc(=O)n(C)c1=O 10864638 PGJIGORLDNRUBO-UHFFFAOYSA-N 397.365 -0.247 5 20 GBBD COCCn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c(O)nc1=O 265507532 MBWYROBZLVSYBE-UHFFFAOYSA-N 399.747 -0.216 5 20 GBBD COC(=O)[C@H]1COCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 267690084 HPIUMVWKBXEBBT-LLVKDONJSA-N 377.309 -0.409 5 20 GBBD O=C(NC(CO)CO)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 273325467 LZMNTHIPVDMODQ-NSHDSACASA-N 387.414 -0.535 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1[N+](=O)[O-] 275113004 WVAZYPXSVIKJIM-UHFFFAOYSA-N 376.347 -0.447 5 20 GBBD COCC[C@H]1NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 288433587 RZVBDGLVXRTTSE-GFCCVEGCSA-N 386.386 -0.170 5 20 GBBD CO[C@@H](CN)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 289547334 KCGGTLOZIHMCTI-AWEZNQCLSA-N 386.430 -0.379 5 20 GBBD CCCn1c(N)c(N(CCOC)C(=O)Cn2ccc([N+](=O)[O-])n2)c(O)nc1=O 515437887 HQSVCAPPPWUAAI-UHFFFAOYSA-N 395.376 -0.275 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CCOCC1 540717004 SBMOHDDTUAKVPC-UHFFFAOYSA-N 379.373 -0.631 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N(C)[C@H]2CCNC2=O)c([N+](=O)[O-])c1 550464398 JUWPYBSVPHNXLO-ZDUSSCGKSA-N 385.446 -0.241 5 20 GBBD NC(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 556982722 XFFLYAXANQPUQS-UHFFFAOYSA-N 378.389 -0.977 5 20 GBBD CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 560644120 TWDWGUKEEMPWAM-CQSZACIVSA-N 376.369 -0.547 5 20 GBBD COc1c(F)cc(S(=O)(=O)N(CCO)CCOCCO)cc1[N+](=O)[O-] 577627810 INLTYYFNJWRWPN-UHFFFAOYSA-N 382.366 -0.266 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 599385094 YMPXYMXJSJSFHG-UHFFFAOYSA-N 376.416 -0.212 5 20 GBBD CC(=O)N1CCN(C(=O)CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 609354335 WFLPGRNVSMFNCB-UHFFFAOYSA-N 399.429 -0.265 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 609883871 XAVHNAYSOHTMAR-GFCCVEGCSA-N 383.430 -0.267 5 20 GBBD O=C(CN1CCCS1(=O)=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 762733824 NJBGYCVIVHBTJI-UHFFFAOYSA-N 391.427 -0.381 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCOCCS(C)(=O)=O 795116002 DYLXFOALXXGNLX-UHFFFAOYSA-N 382.416 -0.057 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCc2cnn(C)n2)cc1[N+](=O)[O-] 811030221 KQXOWUZKJDIUJK-UHFFFAOYSA-N 384.374 -0.213 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)Cn2ccc(=O)n(C)c2=O)cccc1[N+](=O)[O-] 842407844 ZOECFPBYYZTILN-UHFFFAOYSA-N 396.381 -0.590 5 20 GBBD Cc1nc2c(n1CCO)CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 1342866790 WZLWPMSCPANPOF-LBPRGKRZSA-N 375.385 -0.073 5 20 GBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNCc1ccc(-c2nn[nH]n2)s1 1582659650 IKDCRCVWKBOTPX-GHMZBOCLSA-N 381.418 -0.496 5 20 GBBD C[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779606409 SRGBJKNACAREDV-KANYHAFZSA-N 381.389 -0.174 5 20 GBBD O=C(CN1C(=O)CNC1=O)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840964986 CYERAOOAQPNVDP-UHFFFAOYSA-N 391.340 -0.443 5 20 GBBD CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nc[nH]c2[N+](=O)[O-])CCC1=O 1848044191 REHNIMMTZFFLFC-QWRGUYRKSA-N 389.372 -0.259 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3C(N)=O)c([N+](=O)[O-])c2)CC1 67949010 WXWZZKOJDGBMDV-AWEZNQCLSA-N 397.457 -0.015 5 20 GBBD C[C@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C)CC1 265116798 MLDWWMNZYVGSNB-GFCCVEGCSA-N 389.412 -0.057 5 20 GBBD COC[C@@H](CCO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 270215203 LVPJBYCSNUIKJE-LLVKDONJSA-N 375.403 -0.271 5 20 GBBD CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 272951261 GKXLPKALORNKQY-LOWVWBTDSA-N 387.414 -0.394 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 275799289 FZZNCHPMOUAKCZ-OCCSQVGLSA-N 388.398 -0.394 5 20 GBBD O=[N+]([O-])c1ccc2nc(CN3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)[nH]c2c1 444676848 ONHIWFWUKWONEE-HUUCEWRRSA-N 395.441 -0.253 5 20 GBBD CC(=O)NCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H](C)C(=O)OC(C)(C)C 511796780 VVWUYASUWMCYEV-SNVBAGLBSA-N 384.393 -0.119 5 20 GBBD CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)CCO1 565428818 SQYGTGQWMQVFMS-JTQLQIEISA-N 387.370 -0.181 5 20 GBBD CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 579008406 TXFGFJUVZJILDA-CYBMUJFWSA-N 385.446 -0.636 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] 598903045 AMUJMIWKVNUQCJ-WPRPVWTQSA-N 392.324 -0.392 5 20 GBBD NS(=O)(=O)c1c(N2CCN(S(=O)(=O)C3CC3)CC2)cccc1[N+](=O)[O-] 599128236 GSHINYYOTMQRIU-UHFFFAOYSA-N 390.443 -0.144 5 20 GBBD C[C@@H]1[C@H](NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCS1(=O)=O 600426369 OXCICCKFAWQKSY-PRHODGIISA-N 381.366 -0.117 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(S(C)(=O)=O)CC1 609841946 VXNLULYSCMZQAR-NSHDSACASA-N 388.450 -0.069 5 20 GBBD CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)s1 746429162 UWCXFOXGXXULOG-UHFFFAOYSA-N 387.399 -0.006 5 20 GBBD Cn1cnc(S(=O)(=O)NCC(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)c1 833058410 VLEWORYHVQCEGX-UHFFFAOYSA-N 383.342 -0.057 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN1CC(=O)N(C)C1=O 860303301 DLIGDYHVJODZMP-UHFFFAOYSA-N 380.313 -0.021 5 20 GBBD CC(C)[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)N1CCN(C)CC1 1327418059 XKZMIKNXOUDCJB-OAHLLOKOSA-N 395.464 -0.704 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NS(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 1341588081 ULOMTKWMJNTGDG-UHFFFAOYSA-N 399.429 -0.201 5 20 GBBD O=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)=NN1 1780416699 FIOMLJHPFQDLCA-MRXNPFEDSA-N 390.356 -0.758 5 20 GBBD CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277950 INWDGBHOXFDGTF-RUZUBIRVSA-N 392.416 -0.046 5 20 GBBD Cn1cncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010903 KSCAZOKGVJYNAV-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD O=C(CN(CCO)CCO)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840966870 BLIOEEJNKPYNIU-UHFFFAOYSA-N 396.400 -0.709 5 20 GBBD CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1)C(=O)C(=O)O 1847169790 FMDBJIZBUHLQQF-UWVGGRQHSA-N 394.340 -0.454 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 280812219 WZXZZCNGEYAADI-CQSZACIVSA-N 376.369 -0.153 5 20 GBBD CNC(=O)Cn1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 437335670 YYSSZIRKPUOHIP-UHFFFAOYSA-N 398.357 -0.496 5 20 GBBD CN1CCNC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 564957036 XLHAGHNLIZUOBV-CYBMUJFWSA-N 385.446 -0.717 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] 581022950 PIPBEMXIBUPRPN-KCJUWKMLSA-N 388.377 -0.325 5 20 GBBD Cn1ccc(NC(=O)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 597573003 WMKITCAOZVLJDN-UHFFFAOYSA-N 388.340 -0.191 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 598032299 ZMMAGCCQSAACRL-OLZOCXBDSA-N 385.398 -0.357 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)OCC(=O)N2CCC2)c([N+](=O)[O-])c1 746940059 IWQHFBDGNSPEIQ-UHFFFAOYSA-N 386.386 -0.180 5 20 GBBD COc1ccc(C(=O)NCC(=O)OCCN2C(=O)N[C@H](C)C2=O)cc1[N+](=O)[O-] 837324676 JNJRTTRSXMJLJX-SECBINFHSA-N 394.340 -0.183 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cn(C[C@H]2CCOC2)nn1 860860853 NMBNEROLITXKDZ-SECBINFHSA-N 382.358 -0.264 5 20 GBBD CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792355438 SDNAXKQUBPUREK-DDFAGTSDSA-N 380.357 -0.521 5 20 GBBD COC(=O)NCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000813 RIVMCKAVQJIVLA-UHFFFAOYSA-N 380.361 -0.649 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)NC(N)=O)CC1 44565929 YQDQPVLNMDZFHQ-NSHDSACASA-N 399.429 -0.207 5 20 GBBD Cc1cnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 266191342 GLAQEJOUWGPZDZ-UHFFFAOYSA-N 384.462 -0.088 5 20 GBBD COCCOc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 269158042 SHNKVVNEBJOGMS-UHFFFAOYSA-N 378.345 -0.034 5 20 GBBD CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 269488837 ZHLOLEBHYPMRLL-FZMZJTMJSA-N 399.381 -0.080 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C[C@@H]1C(N)=O 275202688 ZCYXMXGIRRYSPN-PSASIEDQSA-N 387.370 -0.057 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)NC1CC1 420736760 YMPSOKQGCGRYMV-UHFFFAOYSA-N 378.432 -0.198 5 20 GBBD NC(=O)[C@H]1CC[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)O1 470234179 UBSZFUSMZSGNQR-CHWSQXEVSA-N 379.373 -0.457 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 522583647 LYDJBFLWLAHKNI-JTQLQIEISA-N 391.427 -0.576 5 20 GBBD CC(C)(C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)n1cc([N+](=O)[O-])cn1 522588275 DBKNFCRYGSOIKT-UHFFFAOYSA-N 378.389 -0.524 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] 543880009 BEZNZEAJLLTSLK-GFCCVEGCSA-N 375.341 -0.604 5 20 GBBD COc1nccc(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 558783318 YGEDJESUTKNYCV-UHFFFAOYSA-N 396.385 0.493 5 20 GBBD CCc1[nH]nc(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)c1[N+](=O)[O-] 591833315 MBNIPQNLEJNVBZ-NSHDSACASA-N 382.421 -0.211 5 20 GBBD CCS(=O)(=O)N[C@@H](C)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 597501916 ZCZFOXGUHZZTRQ-JTQLQIEISA-N 393.443 -0.188 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 598911085 ZUPUTVVNOLCQEY-VXGBXAGGSA-N 386.386 -0.356 5 20 GBBD C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1c1ncc([N+](=O)[O-])c(N)n1 820804682 XLNNKOKRGKZGPI-QMMMGPOBSA-N 384.364 -0.348 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 863349012 WYWPHGUROJBSOW-CQSZACIVSA-N 397.413 -0.128 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 1258326595 UIJDLFWTVGAOEF-OAHLLOKOSA-N 378.385 -0.383 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1781764120 MVMVBXRHASEQFJ-WMLDXEAASA-N 395.391 -0.537 5 20 GBBD COC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796853135 LZOBSOGXDJTQGP-ILWJIGKKSA-N 380.361 -0.074 5 20 GBBD O=C([C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCOCC1 66480658 IILVWWYMBNGCOP-CQSZACIVSA-N 378.385 -0.004 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)C[C@@H]1CCCO1 265253893 BNWYEGMNQQAXFI-NSHDSACASA-N 393.443 -0.029 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 274919433 MLLLEJJHPVBWKR-LBPRGKRZSA-N 392.411 -0.303 5 20 GBBD C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297708120 IUWDEAPFKWBKAS-QWHCGFSZSA-N 395.416 -0.771 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1)N1CCCC1 298762288 KVNNENFNEIPHHT-UHFFFAOYSA-N 377.357 -0.398 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 363988208 SLUDZZHTMCRLII-VIFPVBQESA-N 378.432 -0.240 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@@H](O)C[C@@H]1CO 367168867 XUKLPLMANCDBQL-NEPJUHHUSA-N 387.414 -0.452 5 20 GBBD O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 502840665 GSDDGNHZJCYKIV-ZWNOBZJWSA-N 386.368 -0.176 5 20 GBBD O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(S(=O)(=O)NCCO)s1 748128368 FWKCDWALMWNEAK-UHFFFAOYSA-N 390.399 -0.020 5 20 GBBD CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826060537 NYQJWEBISLNNPA-BDAKNGLRSA-N 395.401 -0.032 5 20 GBBD COc1ccc(S(=O)(=O)NC(=O)[C@H]2CCN(C)S2(=O)=O)c([N+](=O)[O-])c1 842677728 HAOBCOIYYKNYCL-LLVKDONJSA-N 393.399 -0.558 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N2CC(O)(c3cnn[nH]3)C2)cc1[N+](=O)[O-] 1576919697 YTCAFUGTFWAYPA-UHFFFAOYSA-N 398.357 -0.217 5 20 GBBD CNS(=O)(=O)NC1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1591220369 OBTWVKCBWAMXCC-UHFFFAOYSA-N 382.406 -0.203 5 20 GBBD COC(=O)[C@@H]1CCS(=O)(=O)N1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591254739 ZVKPUDNFBQUPQX-JTQLQIEISA-N 382.358 -0.148 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCn1cnc(-c2nn[nH]n2)n1 1592893824 UPCZAPWABJPVKF-UHFFFAOYSA-N 377.296 -0.299 5 20 GBBD O=c1ccn(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)cc1[N+](=O)[O-] 1609605166 LTSGSRHLHSFTNG-UHFFFAOYSA-N 377.342 -0.195 5 20 GBBD CCN(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010591 BLEOQPOVYQEOBC-NRWUCQMLSA-N 394.432 -0.139 5 20 GBBD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273472 PSSOYFQMOUBNFY-KRWDZBQOSA-N 394.384 -0.671 5 20 GBBD O=C1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CCN1 1848163571 INEFRTVYOWTZCU-UBHSHLNASA-N 390.400 -0.481 5 20 GBBD Cn1c(=O)c2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cnc2n(C)c1=O 109720720 UPYBYCGYYHDYEM-UHFFFAOYSA-N 386.324 -0.659 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 276056789 BAPMUNGZNQSFSR-LDYMZIIASA-N 387.370 -0.355 5 20 GBBD C[C@H]1OCC[C@@H]1S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 276115354 XYZFVSZAYUDJCR-MFKMUULPSA-N 393.443 -0.030 5 20 GBBD COC(=O)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)OC 294031891 NZHKEKDBMXLGCT-GFCCVEGCSA-N 389.386 -0.481 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCNC1=O 297414556 YNUBDEHTDHAQAM-LBPRGKRZSA-N 385.402 -0.549 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 368984021 MPASOYPXSKYIAK-UONOGXRCSA-N 387.389 -0.039 5 20 GBBD COCCNC(=O)Cn1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 494080583 UIICUWMJJKQMKU-UHFFFAOYSA-N 380.365 -0.428 5 20 GBBD NS(=O)(=O)c1cccc(N2CCN(C(=O)CN3CCCC3)CC2)c1[N+](=O)[O-] 544676265 IFJHWCOPBJRGPW-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCNCC2)C1 572484252 JRUSIVCZAYFEHK-CYBMUJFWSA-N 397.457 -0.621 5 20 GBBD Cn1cc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(=O)n(C)c1=O 589776569 QDNDRQGQALNXFF-UHFFFAOYSA-N 387.308 -0.773 5 20 GBBD COC(=O)c1cccc(CS(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 789584157 SYDCXQBHJUSCKT-UHFFFAOYSA-N 383.342 -0.381 5 20 GBBD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 1321512909 QLTKWTCKSDNFSI-ZDUSSCGKSA-N 398.441 -0.001 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(O)(c2cnn[nH]2)C1 1577874944 KNBFNAFBIVULHA-UHFFFAOYSA-N 396.385 -0.889 5 20 GBBD C[C@H]1OCC[C@@H]1N(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590337462 MYTSCDCZGYUMAV-ZJUUUORDSA-N 398.401 -0.065 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011102 OVQBPCUIOCFZQB-PEGIJTEDSA-N 387.356 -0.375 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)NCCc2ccc([N+](=O)[O-])cc2)n(C)c1=O 54168223 FSUQBDKZFAJCQH-UHFFFAOYSA-N 386.368 -0.299 5 20 GBBD COc1ccc(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 267435899 DQPYUMOBCNBUCA-JTQLQIEISA-N 377.357 -0.816 5 20 GBBD CCOC(=O)N1CCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269160010 XCVSLULBKGMCDF-UHFFFAOYSA-N 376.395 -0.600 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 272240335 QTTCLKCAUSNTIS-UHFFFAOYSA-N 382.395 -0.448 5 20 GBBD Cn1nncc1CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 287649966 WGUJEXZYHVEBSW-UHFFFAOYSA-N 383.390 -0.499 5 20 GBBD COC[C@@H]1C[C@H](O)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 413908719 RLDYFRGPYSMAAL-STQMWFEESA-N 387.414 -0.129 5 20 GBBD CN(C)CCNC(=O)Cn1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 524652261 JRZYZPOSUZCNJW-UHFFFAOYSA-N 391.388 -0.731 5 20 GBBD O=C(Cn1cnnn1)N1CCN(c2ncnc3sc([N+](=O)[O-])cc23)CC1 557494058 WNGOZZCQRAJVIH-UHFFFAOYSA-N 375.374 -0.065 5 20 GBBD CNc1nccc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c1[N+](=O)[O-] 571896350 YGZAPVIZRVLMRN-ZDUSSCGKSA-N 376.417 0.456 5 20 GBBD NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 584737533 NNMQHECOBGGDAR-ZIAGYGMSSA-N 396.425 -0.061 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 589111755 AKLOLPJPYJTAFY-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD C[C@@H]1C(=O)N(C)CN1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 591929043 HGVDGVPKQGRCST-SNVBAGLBSA-N 385.402 -0.297 5 20 GBBD CNc1ccc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] 592342938 MMSLLRCXUOISJF-UHFFFAOYSA-N 383.430 -0.304 5 20 GBBD O=C(NCC1(CO)CC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611654941 JKAGPGUQJAGSGF-AAEUAGOBSA-N 399.425 -0.393 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 725988781 WHARKRRQZVCCIK-UHFFFAOYSA-N 376.325 -0.077 5 20 GBBD O=C(NCC(=O)N1CCO[C@H](c2nn[nH]n2)C1)NCc1ccc([N+](=O)[O-])cc1 732090996 XCCYPEYLJUTFKN-LBPRGKRZSA-N 390.360 -0.493 5 20 GBBD C[C@@H](O)CN(CCO)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 809860125 XLSAKWGSQVLROX-SNVBAGLBSA-N 389.386 -0.085 5 20 GBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NOCCN1CCCC1=O 856035454 JVPWPUWNPFCRRB-UHFFFAOYSA-N 376.325 -0.139 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCN(c2ncc(F)cn2)CC1 1323904638 HSIOMECQIQMBBG-UHFFFAOYSA-N 392.351 -0.815 5 20 GBBD CN(CC(F)F)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1324910179 GLDOEBFXFKQIAR-UHFFFAOYSA-N 394.356 -0.287 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413695 DAXHASPERYIGNH-DIFFPNOSSA-N 393.400 -0.122 5 20 GBBD CCN(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798010589 BLEOQPOVYQEOBC-FMSGJZPZSA-N 394.432 -0.139 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841303554 FYFFYYNUDQLBSP-UHFFFAOYSA-N 390.396 -0.269 5 20 GBBD NC(=O)c1ccc(SCC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c([N+](=O)[O-])c1 268485154 FOWSEDAPWOMJLR-MWLCHTKSSA-N 382.398 -0.065 5 20 GBBD O=C(NCCN1C(=O)CCC1=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273268815 JMBDXLVALFSPBN-UHFFFAOYSA-N 398.397 -0.183 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc([N+](=O)[O-])c1O)C2 276252496 NMZQQMRDBFDABF-UHFFFAOYSA-N 390.356 -0.597 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 279040384 AANBNUCINRDRIX-BTDLBPIBSA-N 389.368 -0.086 5 20 GBBD CCNC(=O)C1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 443616213 MGZBMZISKUCTTO-UHFFFAOYSA-N 399.429 -0.361 5 20 GBBD C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 580535391 HRAFFSZFEARHPA-MRVPVSSYSA-N 391.427 -0.062 5 20 GBBD O=C(NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCCN1 580771280 BXEGLYDUIWRHOV-OAHLLOKOSA-N 389.412 -0.253 5 20 GBBD CN(CC(=O)N[C@]1(C(=O)O)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 595997278 JXXYHIPNOJPIPL-CQSZACIVSA-N 387.370 -0.425 5 20 GBBD NC(=O)C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 600684186 ZABAUSIRXWUIOX-LLVKDONJSA-N 378.341 -0.577 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)cc1[N+](=O)[O-] 611869198 NTMXFOAATOXVDM-UHFFFAOYSA-N 388.402 -0.060 5 20 GBBD CN1C(=O)CN(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 779542177 VZNFDVPOOVGVNI-UHFFFAOYSA-N 385.358 -0.812 5 20 GBBD O=[N+]([O-])c1ccc(N2C[C@H](O)[C@@H](CO)C2)c(S(=O)(=O)N2CCOCC2)c1 845563800 IYRGQTVSUYAWCL-RISCZKNCSA-N 387.414 -0.595 5 20 GBBD O=C(O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 852958543 NLMBZKFLKGMRNK-WCBMZHEXSA-N 393.278 -0.086 5 20 GBBD COc1c(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] 1116880210 PKTZAWAELWGGPQ-SNVBAGLBSA-N 385.398 -0.021 5 20 GBBD C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1257059363 HSHIWABTWABYAA-ZDUSSCGKSA-N 380.401 -0.073 5 20 GBBD CN(C)C(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 1590999695 KZERWKOZJFUKAZ-UHFFFAOYSA-N 381.374 -0.326 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCSC[C@@H]2CO)c1 1607080284 SDOJLQVBIUKSGZ-VIFPVBQESA-N 386.415 -0.127 5 20 GBBD O=C([C@@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840966142 RLWYWQYMCLEHDQ-OAHLLOKOSA-N 394.384 -0.345 5 20 GBBD C[C@@]1(C(N)=O)CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 279843199 HRYRQCZZZUSXSD-OAHLLOKOSA-N 399.429 -0.220 5 20 GBBD CC[C@@H](C)NC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 298779732 FMKVDBGXXPTNHT-CYBMUJFWSA-N 379.417 -0.185 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)C1COC1 420721918 INWRYTDUHHFUHZ-UHFFFAOYSA-N 379.416 -0.467 5 20 GBBD O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCN(CCO)CC1 469744898 JMWIPNBCFCJUKF-UHFFFAOYSA-N 376.369 -0.002 5 20 GBBD Cn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 532396697 OXJFUBAWSHQFBD-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 576256718 RWVWHCSVXZGOAZ-CYBMUJFWSA-N 376.439 -0.987 5 20 GBBD COC(=O)[C@H]1CNCCCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 592553771 JGPDBKYAYMYDHV-CYBMUJFWSA-N 385.398 -0.025 5 20 GBBD CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 595130116 BOJIMFFFSZUSJY-CQSZACIVSA-N 393.400 -0.488 5 20 GBBD CN1NN=C2C1=NCC[C@H]2C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 597501246 SQWYVBUKSJXPBW-GFCCVEGCSA-N 394.413 -0.291 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 600230224 QPQGCTGYDNIHTF-AWEZNQCLSA-N 393.400 -0.129 5 20 GBBD Cn1c(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 761062625 WJIDYDNELDHRPW-MRVPVSSYSA-N 388.358 -0.897 5 20 GBBD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)OCCn1cc([N+](=O)[O-])ccc1=O 761409866 WBESAKANQDLMNN-YIKOMLBNSA-N 391.336 -0.538 5 20 GBBD CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 859174100 RIQWUQNOEOVKIF-VIFPVBQESA-N 393.422 -0.166 5 20 GBBD Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1345948204 JUWRGBLXKRYPIJ-UHFFFAOYSA-N 381.437 -0.995 5 20 GBBD CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)C1 1779395680 NVMXAIPINHIHPM-INIZCTEOSA-N 378.389 -0.677 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781042306 SSLHCLIWMYCSIA-PRXAMGSTSA-N 394.384 -0.646 5 20 GBBD CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844229015 BKTGNFDVSMAVTM-SNVBAGLBSA-N 393.404 -0.158 5 20 GBBD Nc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] 264197887 PTHCPIVKRRLSBM-OCCSQVGLSA-N 384.414 -0.595 5 20 GBBD O=C(CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1)Nc1nncs1 265145787 XGRPRFHGCBKEJT-UHFFFAOYSA-N 394.417 -0.184 5 20 GBBD COc1cc(S(=O)(=O)N(C)C[C@@H](O)CN2CCOCC2)ccc1[N+](=O)[O-] 269774758 GWSFFRVEFBSKGV-GFCCVEGCSA-N 389.430 -0.083 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] 275296972 PNKHXTVBDUAVFJ-ZDUSSCGKSA-N 385.398 -0.170 5 20 GBBD O=C1N[C@]2(CCOC2)C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 277809166 MCBXIQQFDBFXSU-AWEZNQCLSA-N 384.370 -0.416 5 20 GBBD COc1ccc(S(=O)(=O)NCCNS(=O)(=O)NC(C)C)c([N+](=O)[O-])c1 428408781 UTIDHANHXHKJLO-UHFFFAOYSA-N 396.447 -0.286 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CC(OCC(=O)N(C)C)C2)ccc1[N+](=O)[O-] 542952972 GUJJVLPVSZEXPE-UHFFFAOYSA-N 378.385 -0.051 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 549772217 FZYYBNRWGAPLLT-UHFFFAOYSA-N 386.386 -0.827 5 20 GBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCN2CCN(c3ncccn3)CC2)c1 566792223 NXLMIERJJKCJRP-OAHLLOKOSA-N 376.421 -0.646 5 20 GBBD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 576221338 BQKJLDFMPVQXIY-DZKIICNBSA-N 380.449 -0.175 5 20 GBBD COCCNC(=O)CN1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 590571981 LGFRYZUTAXQZON-UHFFFAOYSA-N 381.389 -0.339 5 20 GBBD CNS(=O)(=O)Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 591723824 CINFGEMPXZUJSL-HNNXBMFYSA-N 383.430 -0.009 5 20 GBBD NS(=O)(=O)NC1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 599488831 GKSUBKAMYVGHCR-UHFFFAOYSA-N 392.459 -0.275 5 20 GBBD C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 809860124 XLSAKWGSQVLROX-JTQLQIEISA-N 389.386 -0.085 5 20 GBBD CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 817762029 OECKBBMNOSSYFV-CQSZACIVSA-N 389.412 -0.020 5 20 GBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCS(=O)(=O)N1CCOCC1 818988353 IVVCKROZWFOBLU-CYBMUJFWSA-N 389.430 -0.414 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCO)CC2)c1-c1nn[nH]n1 826500383 WPMHACLNKLIKLG-UHFFFAOYSA-N 383.390 -0.927 5 20 GBBD CN(CCCO)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1117924863 XSXWNJZDJAHERE-UHFFFAOYSA-N 378.385 -0.280 5 20 GBBD CCN(CCS(C)(=O)=O)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1258338966 AYPDOSHZRWTIMN-UHFFFAOYSA-N 387.414 -0.017 5 20 GBBD O=C(NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)NCC(F)F 1593086782 BUCNODCJBUYEPS-UHFFFAOYSA-N 384.303 -0.316 5 20 GBBD CC(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1784184723 JRZZFIGMBVKIQC-MNXVOIDGSA-N 395.416 -0.072 5 20 GBBD C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485243 ZIQQBFHZQGEDEV-YVEFUNNKSA-N 396.400 -0.147 5 20 GBBD COc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)c([N+](=O)[O-])cc1O 1843349730 MPWVKBBYVSLXMN-NSHDSACASA-N 393.400 -0.588 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCNS(=O)(=O)C[C@H]2CCOC2)cc1 264557404 MXVWHFWQUGVGHD-NSHDSACASA-N 393.443 -0.171 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(C)(CO)CO 276295117 BTCOZCNYRMHJHU-UHFFFAOYSA-N 376.387 -0.007 5 20 GBBD COC[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 279906090 GMCMRVFWMSAKDT-FZMZJTMJSA-N 387.414 -0.129 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 364725622 VCJFKBHZTRBUBJ-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)[C@@H]1CCOC1 420717103 CPPCBXXFEKGXHR-CYBMUJFWSA-N 393.443 -0.076 5 20 GBBD CS(=O)(=O)N[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 598898282 QIJYXSFGRGRURE-NSHDSACASA-N 385.402 -0.134 5 20 GBBD Cn1ccc(N2CCC[C@H](NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C2=O)n1 599247071 BXLZTVWWAXZUSD-VIFPVBQESA-N 383.390 -0.464 5 20 GBBD COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 599421449 NCDCCWKFJORYHG-RKDXNWHRSA-N 390.374 -0.556 5 20 GBBD C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)N(C)C 726892475 AFUWLCQQOSWSFA-BTDLBPIBSA-N 391.384 -0.045 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 809392935 LRBXRWZCTMIPOQ-UHFFFAOYSA-N 385.185 -0.137 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(O)(C(F)(F)F)CC1 1343187182 WWYNZOPEGRVJIU-UHFFFAOYSA-N 379.295 -0.177 5 20 GBBD C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 1590164451 RFXAMBKXROFFHF-SECBINFHSA-N 375.393 -0.087 5 20 GBBD CC(C)(O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380482 VQGOTNKFYHNHEN-MRXNPFEDSA-N 381.389 -0.078 5 20 GBBD O=C1CC[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)N1 1794275474 KWBJPXZTAKXILJ-GFQSEFKGSA-N 390.400 -0.292 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cocn1 1794938911 YXAXDJXBKZQSTB-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1)C(O)O 1814709682 YZOYXKWEJSMCQP-MRVPVSSYSA-N 379.333 -0.342 5 20 GBBD CNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11388559 YFCXJUDSZLKNEG-SSDOTTSWSA-N 378.297 -0.422 5 20 GBBD CC[C@@]1(C)NC(=O)N(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 18956419 MSPWRGRIFVHSPC-MRXNPFEDSA-N 389.324 -0.058 5 20 GBBD CC(C)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 104826788 CYGVNWIFPSMQRL-UHFFFAOYSA-N 385.446 -0.111 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCO1 265612174 SGFFRLOJKACUBW-ZDUSSCGKSA-N 394.340 -0.593 5 20 GBBD CNS(=O)(=O)c1ccc(Nc2cnn(CC(=O)NCCO)c2)c([N+](=O)[O-])c1 266194017 HFIDFNYDLKHLMU-UHFFFAOYSA-N 398.401 -0.449 5 20 GBBD CNC(=O)CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 271964968 VDBFANDAACZOQU-UHFFFAOYSA-N 391.428 -0.065 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 276081700 AXLZEYSSQVZLLN-AWEZNQCLSA-N 390.400 -0.410 5 20 GBBD O=C([C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@H](O)C1 295757551 BRUCSQYJTGWAQV-HIFRSBDPSA-N 399.425 -0.032 5 20 GBBD C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 412416332 KYGIFQFANLUWHS-HONMWMINSA-N 387.414 -0.394 5 20 GBBD O=C(NCCN1CCNCC1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 418306756 RPWZWYFLIRHESO-UHFFFAOYSA-N 390.444 -0.033 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@]1(CCO)CCOC1 447064098 TWOWDTONWTXOCG-OAHLLOKOSA-N 387.414 -0.079 5 20 GBBD C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 470367833 UBOYAHFCASRHSV-AAEUAGOBSA-N 387.414 -0.177 5 20 GBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 536812528 YAXUHXNACBLKTR-LBPRGKRZSA-N 380.405 -0.667 5 20 GBBD CN(C)C(=O)COC1CN(S(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])C1 571051354 SVCSPZKVEALXNH-UHFFFAOYSA-N 387.370 -0.229 5 20 GBBD COC(=O)[C@@H](O)C1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598608796 WNJCSFJSMIQISJ-ZDUSSCGKSA-N 381.389 -0.028 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H](O)[C@H]1CCCO1 600239938 XLWAEFWJYBUXQJ-ZIAGYGMSSA-N 387.414 -0.081 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)COc1ccc([N+](=O)[O-])c(C(=O)O)c1 737387550 CXRGHKDMWMEUEO-UHFFFAOYSA-N 381.341 -0.011 5 20 GBBD CNC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 763699476 UQHZRDMANUVYGE-KBPBESRZSA-N 378.385 -0.269 5 20 GBBD Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789407996 RYVULFLDORAJIY-UHFFFAOYSA-N 390.356 -0.154 5 20 GBBD Cc1c(C(=O)OCc2cn(C)nc2[N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C 847784161 PUVAFLMFWAVILS-UHFFFAOYSA-N 388.340 -0.061 5 20 GBBD C[C@@H]1OCC[C@@H]1N(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1590337459 MYTSCDCZGYUMAV-UWVGGRQHSA-N 398.401 -0.065 5 20 GBBD COC(OC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378035 BHTHJIGXFCEZTN-OAHLLOKOSA-N 383.361 -0.620 5 20 GBBD O=C(c1cncnc1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383834 UAACHIWCRMPFNH-MRXNPFEDSA-N 387.356 -0.135 5 20 GBBD O=C1NC[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nc[nH]c2[N+](=O)[O-])C3)O1 1793648377 NPBRMJRFHDJQRB-JXUBOQSCSA-N 378.345 -0.322 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cc(N3CCOCC3)ncn2)CC1 270817680 PQPLWOLSWXUMMI-UHFFFAOYSA-N 388.388 -0.093 5 20 GBBD C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 280748802 KGZJIUYAGAVGBI-ZDUSSCGKSA-N 399.473 -0.375 5 20 GBBD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 487369101 UVFABIIHOSAXFN-DTWKUNHWSA-N 391.406 -0.454 5 20 GBBD C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502807482 CHYKFMDQKHYHOU-VIFPVBQESA-N 397.413 -0.021 5 20 GBBD COCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(N)=O 540617215 IBWHBPVPIAOMNL-GFCCVEGCSA-N 388.402 -0.778 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 592476551 IYNALWHTJFGPTC-FZMZJTMJSA-N 386.430 -0.162 5 20 GBBD CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594759990 NVCOETXIHWSXHM-ZJUUUORDSA-N 378.432 -0.014 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N(C)C 1329315591 XSZWYEGRFZHANY-LBPRGKRZSA-N 377.401 -0.164 5 20 GBBD CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 1331072367 RAYGUAMJQQPYBQ-INIZCTEOSA-N 390.396 -0.157 5 20 GBBD C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1793431015 GBQFJKALKBCCOQ-YYHMBLRTSA-N 393.400 -0.362 5 20 GBBD Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 52076644 CNUHRIXOUPBTFJ-UHFFFAOYSA-N 384.374 -0.469 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(NC(C)(CO)CO)c([N+](=O)[O-])c2)CC1 267535775 BFPFJKQIXCEIIM-UHFFFAOYSA-N 388.446 -0.314 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)O)cc1[N+](=O)[O-] 277264174 NSRZTPZDBZQROK-QUBYGPBYSA-N 377.331 -0.115 5 20 GBBD CCS(=O)(=O)NCCNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 298626889 ZIZUFCVRAILDMP-OLZOCXBDSA-N 390.418 -0.772 5 20 GBBD O=C1N[C@@]2(CCOC2)C(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 349335540 WBYGIYDDECVZKH-CQSZACIVSA-N 384.370 -0.416 5 20 GBBD CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc1OC 458049077 SQIYYEZRWTWJFU-UHFFFAOYSA-N 380.357 -0.228 5 20 GBBD Cc1cc(=O)n(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] 474388438 FEVOSJUPKDXYRW-ZDUSSCGKSA-N 398.441 -0.604 5 20 GBBD CCOc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])cc1OC 523243158 RSECMDSESLPSMT-UHFFFAOYSA-N 388.402 -0.037 5 20 GBBD CNc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1[N+](=O)[O-] 545247395 DCIOPDSLKRGANX-UHFFFAOYSA-N 395.401 -0.099 5 20 GBBD CN(C)C(=O)Cn1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1 598601075 YPTAITPAWXSVEB-UHFFFAOYSA-N 376.377 0.250 5 20 GBBD C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)N1CCS(=O)(=O)CC1 609448057 QWCUZTFDOGGJKM-JTQLQIEISA-N 387.418 -0.712 5 20 GBBD CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 612631343 BLHQTJVNUOFCNY-JTQLQIEISA-N 376.343 -0.416 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(n2cncn2)C1 732759605 WXKTUWNXVPSDNE-UHFFFAOYSA-N 380.386 -0.062 5 20 GBBD CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1257453922 KRBXUCAFMGKMOU-CYBMUJFWSA-N 398.441 -0.206 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)N[C@@H]1CCS(=O)(=O)C1 1333093824 RUROPXDMSMXDAP-SSDOTTSWSA-N 394.203 -0.178 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1346399280 ANLOZZPSFHKZIV-CYBMUJFWSA-N 398.441 -0.254 5 20 GBBD CNC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCO1 1591210540 QVGPAIDOTYHUFI-LBPRGKRZSA-N 376.377 -0.095 5 20 GBBD O=C(Cn1ncnn1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1592943239 BFRCORVRTJXGIW-UHFFFAOYSA-N 385.348 -0.890 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@](O)(C(=O)O)C1 1777121724 YFZLWBFJIUMSOB-CQSZACIVSA-N 388.354 -0.018 5 20 GBBD Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cn1 1779383986 ZSBBWTVLXOJACU-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD CN(C)C(=O)CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 32524800 JETAEINGUUSXIW-UHFFFAOYSA-N 391.428 -0.053 5 20 GBBD CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 263242273 LOGLDNYUGLBCIS-INIZCTEOSA-N 391.428 -0.021 5 20 GBBD C=CC(=O)NCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264781978 RHEBZHTZDZXMQH-UHFFFAOYSA-N 385.402 -0.537 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 273003640 PXIZSJPAQLKLDJ-CYBMUJFWSA-N 378.341 -0.035 5 20 GBBD CCN1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 273461423 MYDUHZPHQNBNGI-UHFFFAOYSA-N 399.429 -0.253 5 20 GBBD COC(=O)CNC(=O)c1ccc(N(C)CC(=O)N2CCOCC2)c([N+](=O)[O-])c1 298200414 UTGPETRVYWPCHB-UHFFFAOYSA-N 394.384 -0.207 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 299596607 GQLQNEWMWNCNSB-UHFFFAOYSA-N 382.421 -0.603 5 20 GBBD CCCS(=O)(=O)NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 438833239 HBJLCGRZYAWBNQ-CQSZACIVSA-N 375.451 -0.054 5 20 GBBD C[C@@H]1CCNC(=O)[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 443052682 TXSOMJSJDJWRBD-YGRLFVJLSA-N 384.414 -0.096 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1CCn1cc([N+](=O)[O-])ccc1=O 444604517 BQHZRFIPYRQFBD-CYBMUJFWSA-N 382.373 -0.863 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 445078557 IZICPEXSHRJVOK-VIFPVBQESA-N 398.440 -0.075 5 20 GBBD CCn1cc(S(=O)(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c([N+](=O)[O-])n1 485941087 OCCIUKLFYZBXSJ-LLVKDONJSA-N 386.434 -0.604 5 20 GBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 501207401 RHTTXJAFZHXZJB-UHFFFAOYSA-N 380.390 -0.424 5 20 GBBD COCCN(CC(=O)OC)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 509814147 ZILNCWCQIVLASW-UHFFFAOYSA-N 379.325 -0.161 5 20 GBBD C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)NCCN(C)C 552309897 ZMAGJOLOEUFSAX-SNVBAGLBSA-N 386.430 -0.206 5 20 GBBD CN1CCC(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)(N2CCOCC2)CC1 580769554 VSTVAGWZPNSGNI-INIZCTEOSA-N 382.465 -0.462 5 20 GBBD CN(C)C(=O)CN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598586812 DREXVJBPSGRBDS-UHFFFAOYSA-N 379.421 -0.568 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)O[C@@H]1CCS(=O)(=O)C1 771590017 FIWAIKKKELTMDQ-LLVKDONJSA-N 392.411 -0.007 5 20 GBBD O=C(NN1CCOC1=O)c1ccc(C(=O)NN2CCOC2=O)c([N+](=O)[O-])c1 862703264 JAJDMUAHUYTDRL-UHFFFAOYSA-N 379.285 -0.211 5 20 GBBD Cn1ncc2c(N3CCN(C(=O)Cn4ccc(=O)c([N+](=O)[O-])c4)CC3)ncnc21 1322521714 FQGZYLKCWZZKKA-UHFFFAOYSA-N 398.383 -0.218 5 20 GBBD Nc1c([N+](=O)[O-])ccc(N2CCN3CCOC[C@@]3(CO)C2)c1-c1nn[nH]n1 1592757369 JNEWQZLIQDBRCC-HNNXBMFYSA-N 376.377 -0.760 5 20 GBBD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795547780 GKVGEQLQGPZQIV-ZCURGHERSA-N 394.432 -0.106 5 20 GBBD CC(C)(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008960 UDVCGXQSBGALHQ-IQOUGMIPSA-N 395.416 -0.072 5 20 GBBD CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829480789 QTBOSLRMWUMTPO-MRXNPFEDSA-N 381.341 -0.153 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCNCC2)C1 262060130 NWBYSPJODGYQMR-AWEZNQCLSA-N 389.412 -0.174 5 20 GBBD Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)c(C)c1[N+](=O)[O-] 286409574 LUWCTYXRCVRAPU-CYBMUJFWSA-N 388.358 -0.269 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(=O)N1CCNCC1 428191300 JSAIITYWHDTSLP-LBPRGKRZSA-N 377.401 -0.397 5 20 GBBD Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 433807160 DBXADXGSPAAHHT-GFCCVEGCSA-N 398.379 -0.294 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c(C)c([N+](=O)[O-])c1 487855895 VRHPUKBFHSAKNP-KRWDZBQOSA-N 394.384 -0.189 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1C(=O)CNC1=O 499954831 FREWLYFVQBFXIG-UHFFFAOYSA-N 378.345 -0.938 5 20 GBBD O=C(CO)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 502161158 YROCNLYDKFBZRK-UHFFFAOYSA-N 378.385 -0.292 5 20 GBBD CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 520362622 JVHBMRONUURLNA-LLVKDONJSA-N 384.414 -0.081 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 545366309 IGLNGDCNBGKUSO-SNVBAGLBSA-N 398.353 -0.694 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1nc(N2CCNCC2)n[nH]1 581487701 CKWGINADXOLAGZ-JTQLQIEISA-N 392.424 -0.006 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)CCc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O 756536010 OZQKYMQGHPOJBO-UHFFFAOYSA-N 390.352 -0.067 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)[C@H](CN)C1 844227065 SNJXMQRCNIIBON-LLVKDONJSA-N 399.429 -0.185 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 847893054 LUGSCZDTPPIPNZ-SECBINFHSA-N 378.388 -0.781 5 20 GBBD CN1C(=O)CN(CC(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 860445296 XMQZYZRCBXZLEA-UHFFFAOYSA-N 390.761 -0.053 5 20 GBBD C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1324650329 PWHLURPLAHKLQH-JTQLQIEISA-N 385.398 -0.266 5 20 GBBD CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1345203603 IJQQNNPEHZYXKN-AWEZNQCLSA-N 395.464 -0.703 5 20 GBBD O=C(O)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 1777572168 CMALWZDOWOZENG-UHFFFAOYSA-N 388.314 -0.580 5 20 GBBD COCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834972308 GNVIAAIXZIFQPD-OAHLLOKOSA-N 383.361 -0.966 5 20 GBBD COCCn1c(N)c(C(=O)CN(C)Cc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O 26349161 LKEQOJMLBZXENG-UHFFFAOYSA-N 391.384 -0.012 5 20 GBBD CCn1cnnc1CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66889107 DSNDTFCRMXTWCA-UHFFFAOYSA-N 397.417 -0.016 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)NCCc2cccc([N+](=O)[O-])c2)n(C)c1=O 126020616 CSGGIXHTPIFVPC-UHFFFAOYSA-N 386.368 -0.299 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 263794060 IWZFBWIZKJHMEN-NSHDSACASA-N 394.340 -0.375 5 20 GBBD CN1CC[C@@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 265786545 WFFDVAYCZTYJHU-CYBMUJFWSA-N 399.429 -0.255 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 274673933 KJSKLXPMQPHIJQ-HUUCEWRRSA-N 383.426 -0.561 5 20 GBBD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 276182149 AUWQENTVLPRFSH-KDOFPFPSSA-N 390.396 -0.043 5 20 GBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 286430962 MXFLINABSIIPSA-NSHDSACASA-N 394.203 -0.032 5 20 GBBD NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 418859482 BJEPNBOSUURHIL-AWEZNQCLSA-N 391.428 -0.433 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1 424374441 ZBPQBKNYZCFRSU-LLVKDONJSA-N 378.384 -0.224 5 20 GBBD CCOC(=O)CNC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 435709758 QUDPCZINXOLZIE-UHFFFAOYSA-N 394.384 -0.326 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 508388230 KYJYWUUOZAGJSZ-ZIAGYGMSSA-N 399.425 -0.481 5 20 GBBD CNc1nccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1[N+](=O)[O-] 567259258 OBHPJSVBMGGUJK-UHFFFAOYSA-N 392.416 -0.352 5 20 GBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](O)CS(=O)(=O)c2cccs2)c1 571445779 NWRDQHNRKWSZFH-RYUDHWBXSA-N 390.443 -0.362 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncc[nH]3)CC2)cc1[N+](=O)[O-] 573504698 WYJUIZNYDMBJLP-UHFFFAOYSA-N 380.386 -0.072 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 583704709 OEXFAMBQCRLWAP-CHWSQXEVSA-N 375.385 -0.134 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 619473752 IFJMOJGJWYXLIW-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD CCOC(=O)N1CCN(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 748915731 DPTKYVLMFQIIKZ-UHFFFAOYSA-N 396.356 -0.400 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 771416077 DLTRUGMCTIUHKE-ZDUSSCGKSA-N 384.414 -0.006 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 801438571 GCWJOKCIHRBIDI-JTQLQIEISA-N 387.370 -0.306 5 20 GBBD CN(C)C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 825860809 XGLMGCIZFFSMHM-SNVBAGLBSA-N 397.417 -0.274 5 20 GBBD COc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)ccc1[N+](=O)[O-] 849432951 CIEJWJJVZWANBL-BXKDBHETSA-N 380.400 -0.306 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(=O)N1CCN(C)CC1 915351637 DOKXWBJIFZHUQD-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1321877508 KTZUIICJSWJUQC-ZDUSSCGKSA-N 396.425 -0.023 5 20 GBBD C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1576374354 IAVCUGCAPWLIMD-WPRPVWTQSA-N 384.374 -0.455 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792799069 GENBGRYIACWOED-WDAIWFPHSA-N 395.368 -0.877 5 20 GBBD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CN1 1842000301 KSZIXCJEMIBKGQ-LLVKDONJSA-N 376.373 -0.869 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 19159846 KCBMEYJULQKFMA-UHFFFAOYSA-N 388.340 -0.011 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(N)(=O)=O)CC1 263722858 OAYMMDFYRXHVTB-JTQLQIEISA-N 385.402 -0.939 5 20 GBBD COCCNC(=O)CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 281564288 UVGATTMPOXPACB-UHFFFAOYSA-N 379.417 -0.426 5 20 GBBD O=C1CCC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])N1 434143347 SKBXVFSESFNCJM-NSHDSACASA-N 399.429 -0.159 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCNS(C)(=O)=O 468615454 NQVBQYSZNPWJQT-JTQLQIEISA-N 376.439 -0.117 5 20 GBBD C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 590986056 OIXCRGDLEUMTRM-CYBMUJFWSA-N 389.412 -0.020 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1=O 594758529 CPIKCQRDBJPCOO-LKFCYVNXSA-N 383.386 -0.011 5 20 GBBD O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1C[C@H](O)[C@@H](O)C1 600216665 ALADKRPREMHQSD-UGFHNGPFSA-N 399.425 -0.441 5 20 GBBD C[C@@H](CNC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)S(N)(=O)=O 827636631 WKQIPTBGEFLDDT-ZETCQYMHSA-N 392.340 -0.174 5 20 GBBD NC(=O)CN1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1=O 837974039 ZZMXHRYICZJABS-ZDUSSCGKSA-N 375.341 -0.756 5 20 GBBD O=C(NC[C@@H]1COCO1)c1ccc(C(=O)NC[C@H]2COCO2)c([N+](=O)[O-])c1 861979517 WPTCKIQZOUTDPV-NEPJUHHUSA-N 381.341 -0.200 5 20 GBBD COC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792572472 QWXTWMNQTHSIGL-JGPRNRPPSA-N 381.389 -0.054 5 20 GBBD Cc1cc(C(=O)N2CCCC23CN(C(=O)C2=NNC(=O)C2)C3)ncc1[N+](=O)[O-] 1843517498 SEVWHEHFTMNURL-UHFFFAOYSA-N 386.368 -0.009 5 20 GBBD NC[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)O1 261604807 ALSMBHRBRZQPOB-OCCSQVGLSA-N 398.441 -0.066 5 20 GBBD NS(=O)(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 273196763 PJVBPUVTTMUVDJ-UHFFFAOYSA-N 375.382 -0.116 5 20 GBBD CS(=O)(=O)C1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 279359922 QYMKDCOFQQMZBC-UHFFFAOYSA-N 391.427 -0.434 5 20 GBBD CCOC(=O)COCCNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 297008396 GGNNCXVLFJOJOI-HIFRSBDPSA-N 385.373 -0.132 5 20 GBBD C[C@](O)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CN1CCOCC1 472635699 LPTGJJNVGSAMKQ-INIZCTEOSA-N 384.364 -0.128 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NCCNC(=O)c2cc[nH]n2)cc([N+](=O)[O-])c1 507888924 SHFLRCWQNKAQQU-UHFFFAOYSA-N 381.370 -0.119 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC(=O)N1CCOCC1 539578899 ZHTXGKJFIRCMRZ-UHFFFAOYSA-N 378.341 -0.705 5 20 GBBD NS(=O)(=O)C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 569249660 IORDIFXFJXVNLW-UHFFFAOYSA-N 382.398 -0.300 5 20 GBBD C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H]1CO 577705832 NIIBUDLEYFDFHQ-OCCSQVGLSA-N 377.401 -0.132 5 20 GBBD C[C@H](N)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 592306800 FEDNUYBFZJHIFN-SMDDNHRTSA-N 386.430 -0.162 5 20 GBBD CN(CCN1CCNCC1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 592469171 IRFLSXZXHBOWRZ-UHFFFAOYSA-N 399.473 -0.421 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 594820915 DEJZRLXYQUIGDS-CHWSQXEVSA-N 378.428 -0.131 5 20 GBBD O=C1CO[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 598905363 SXJAKJHIUXTSIX-STQMWFEESA-N 377.357 -0.168 5 20 GBBD CCOC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)CC1 768461732 GBOGDZWOQOWHIV-UHFFFAOYSA-N 383.317 -0.035 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NS(=O)(=O)C[C@H]1CCCO1 781498892 BYRWOALETDMHNI-LLVKDONJSA-N 399.381 -0.055 5 20 GBBD CC(C)CN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 824255472 KXNMTBCMBYTLBQ-UHFFFAOYSA-N 383.390 -0.093 5 20 GBBD CS(=O)(=O)N1CCN(CCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1591678917 LBLBVBOEKMVOON-UHFFFAOYSA-N 396.433 -0.236 5 20 GBBD NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780091692 JHXJCFIJUJNEFR-GOSISDBHSA-N 390.396 -0.068 5 20 GBBD CCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215152 DUFGPUMLVDVDNA-QEJZJMRPSA-N 395.416 -0.193 5 20 GBBD O=C(Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1)c1nc[nH]c1[N+](=O)[O-] 1818073834 FZLCYQRIFHLIMO-MRVPVSSYSA-N 379.333 -0.342 5 20 GBBD C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835528713 IAUNCPUQSGUMBT-SJKOYZFVSA-N 395.416 -0.412 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 45858262 MNUDNFQMVWVPQJ-UHFFFAOYSA-N 382.442 -0.026 5 20 GBBD CS(=O)(=O)N1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 142361231 YMHUMBHYXZSTOV-UHFFFAOYSA-N 386.430 -0.333 5 20 GBBD O=C(O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 414635175 ZPWPXGVHFDOESK-SNVBAGLBSA-N 386.386 -0.011 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424367781 NTWLGICVJIPTHD-LLVKDONJSA-N 394.383 -0.524 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)c(C)c([N+](=O)[O-])c1 487774607 XIWGEMXDLBTIAZ-MNOVXSKESA-N 381.341 -0.418 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] 519000368 CBSCKUYELRLNBS-CHWSQXEVSA-N 375.385 -0.597 5 20 GBBD Cn1cc(N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2=O)cn1 530691831 CHSSDPSAMVBVPE-UHFFFAOYSA-N 380.386 -0.171 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 559637630 VTFQNYAHWDRICN-UHFFFAOYSA-N 392.459 -0.018 5 20 GBBD COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 562465420 GVFQADQWEMSHNJ-LBPRGKRZSA-N 391.377 -0.114 5 20 GBBD CN=c1[nH]ccc(C(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)c1[N+](=O)[O-] 565493643 RZZHMJILMRWZHV-UHFFFAOYSA-N 389.372 -0.817 5 20 GBBD COC[C@H]1CCN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 592800795 OCQRKNFDXZZUBC-BZPMIXESSA-N 399.425 -0.034 5 20 GBBD O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CC(O)(CO)C1 597704532 CMJCUHLSBTZJBQ-GFCCVEGCSA-N 399.425 -0.439 5 20 GBBD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599291882 UOZIBFYKKCQWIA-YUMQZZPRSA-N 377.379 -0.937 5 20 GBBD O=C1CN(C(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCN1 733557368 CKKXOMFLSRSVHZ-SNVBAGLBSA-N 394.340 -0.706 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC[C@H]1CCS(=O)(=O)C1 796274733 SISHQZKMCLMGNO-SNVBAGLBSA-N 392.411 -0.149 5 20 GBBD CCc1nn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(=O)c(-c2nn[nH]n2)c1CC 821516718 ARMQEIGNYNRCOO-JTQLQIEISA-N 389.376 -0.286 5 20 GBBD C[C@H]1NC(=O)N(CCOC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1=O 837386339 LPMXEIJLHYWRCX-MRVPVSSYSA-N 378.297 -0.014 5 20 GBBD O=C1N[C@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC[C@@H]2CO1 844121291 ALISXXDLIBIVFY-MNOVXSKESA-N 398.397 -0.170 5 20 GBBD COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1117918359 ZYLMOHTZKHCDLH-UHFFFAOYSA-N 392.372 -0.795 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 1606648087 LWRAIDHXZQEEJK-UHFFFAOYSA-N 386.372 -0.298 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783480956 FBZHVPIKNLDAMB-WBMJQRKESA-N 379.373 -0.060 5 20 GBBD Cn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1794784247 KAFPKQRNLKJPEX-PEGIJTEDSA-N 389.372 -0.432 5 20 GBBD CC(C)(O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795363813 UMKONPSAKYMLBU-PEGIJTEDSA-N 381.389 -0.318 5 20 GBBD CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830519047 LMBGOZDHJYQINY-MEDUHNTESA-N 397.388 -0.841 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845767847 KAFVTPBGCNZDER-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C 276848118 YHCNICDQRJLHQB-JTQLQIEISA-N 387.418 -0.351 5 20 GBBD COC[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 279906100 GMCMRVFWMSAKDT-SMDDNHRTSA-N 387.414 -0.129 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 298146004 WGCZULZRSQOZFI-UHFFFAOYSA-N 384.414 -0.048 5 20 GBBD COCC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC 428504160 PEWZOPQOTAHNHC-JTQLQIEISA-N 389.386 -0.433 5 20 GBBD CNC(=O)N[C@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 468705307 DCWUHKAPQJHMFI-VIFPVBQESA-N 375.341 -0.279 5 20 GBBD Cc1cc(C(=O)O)c([N+](=O)[O-])c(NCCN2CCN(S(C)(=O)=O)CC2)n1 592969828 UYQNSLQAAUXJMU-UHFFFAOYSA-N 387.418 -0.014 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)N3)CC2)c([N+](=O)[O-])c1 596665958 IZUAXHWEZRMVNB-LLVKDONJSA-N 382.398 -0.465 5 20 GBBD C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 758481108 ZJLQSCIZJCADQB-ZETCQYMHSA-N 389.342 -0.257 5 20 GBBD COc1cc(Oc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)ccc1[N+](=O)[O-] 1609348275 LUPMNLUFTMSDGE-UHFFFAOYSA-N 375.301 -0.027 5 20 GBBD CN1CC(C(=O)N2CC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)C1 1784782903 SWDMVJVTTQIODZ-QGZVFWFLSA-N 377.401 -0.072 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798747523 FFSZUVVPUQKJEO-BTABJRDXSA-N 393.400 -0.349 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084883 GVZJEUIQJHBXDC-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)n1cnnn1 1846646605 YDJWTHTXWBEXRM-VIFPVBQESA-N 375.349 -0.617 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCN(CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 18059364 MNOIABUNPJIGGG-UHFFFAOYSA-N 397.457 -0.097 5 20 GBBD COC(=O)CN(CC(=O)OC)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 263935124 WRPHGALXASCMNS-UHFFFAOYSA-N 377.313 -0.036 5 20 GBBD CC[C@@H](CNS(C)(=O)=O)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 297798073 RZZDRGLQPGYTMJ-VIFPVBQESA-N 386.386 -0.053 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 298519300 VQEMKWTZZATVHS-UHFFFAOYSA-N 385.402 -0.550 5 20 GBBD NC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 422986419 CMAIZHGBMHPCLV-ZDUSSCGKSA-N 377.401 -0.571 5 20 GBBD Cn1cc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 428552191 UUBLPLUPOBHDHV-KOLCDFICSA-N 396.385 -0.514 5 20 GBBD CO[C@]1(CN=c2[nH]c(C)c([N+](=O)[O-])c(=NC[C@]3(OC)CCOC3)[nH]2)CCOC1 460948219 IAPIDRVEGOSJAD-SJORKVTESA-N 397.432 -0.028 5 20 GBBD CS(=O)(=O)c1cc(C(=O)NCC2CN(S(C)(=O)=O)C2)cc([N+](=O)[O-])c1 492609343 SPQACOUBXCYPKP-UHFFFAOYSA-N 391.427 -0.381 5 20 GBBD COc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 508404568 YJPSAEVIWWEQPF-ZIAGYGMSSA-N 399.425 -0.481 5 20 GBBD Cn1cc(S(=O)(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(=O)n(C)c1=O 558479934 XFBPDLBILSBANO-UHFFFAOYSA-N 396.381 -0.425 5 20 GBBD COC(=O)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC 561973128 NLFAEQXVKFCJLP-GFCCVEGCSA-N 389.386 -0.433 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](CN)C1 566091963 XPDKLZGQVMLIIQ-CQSZACIVSA-N 390.444 -0.655 5 20 GBBD CC(=O)NCC(=O)N1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 599157077 MYTSXYMKFXBYBI-UHFFFAOYSA-N 399.429 -0.583 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1F 736410337 QXBZYODUDYAQEJ-UONOGXRCSA-N 387.389 -0.039 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 768809374 ZUQQBTVTUBXEIG-UHFFFAOYSA-N 388.427 -0.232 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCCC1CS(=O)(=O)C1 796274707 RHKCCCVZSVATOT-UHFFFAOYSA-N 392.411 -0.149 5 20 GBBD O=C1OCCN1c1ccc(S(=O)(=O)NCCn2cnnn2)cc1[N+](=O)[O-] 845952184 ZJKCMGXKTYYDSK-UHFFFAOYSA-N 383.346 -0.484 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC(O)(CN2CCOCC2)CC1 1323366550 AVYXXLOZZVTSJY-UHFFFAOYSA-N 380.401 -0.558 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C(=O)N(C)C 1323951802 GWRLCYSMZCYYHR-LBPRGKRZSA-N 377.401 -0.164 5 20 GBBD O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CC(=O)N(CCCO)C2=O)CC1 1345076443 HPUZYIQZIKNZKX-OAHLLOKOSA-N 390.396 -0.138 5 20 GBBD O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(Cc2cnn[nH]2)CC1 1578008376 WMGFZKAVINGEEU-LHBIUNCVSA-N 391.432 -0.530 5 20 GBBD CC(=O)N(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1602919841 XWRREPPVDPQIKT-UHFFFAOYSA-N 388.388 -0.098 5 20 GBBD O=C(O)COCCOCCNS(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1777645340 VHEQMRQBZDBQEV-UHFFFAOYSA-N 393.330 -0.101 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788810490 UUVGFIZWEYUMHI-KWBADKCTSA-N 389.372 -0.052 5 20 GBBD COC(=O)C1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1848164650 SMFZPERIDAPITB-STQMWFEESA-N 391.384 -0.054 5 20 GBBD CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N[C@H]1CCS(=O)(=O)C1 45807296 WURNUVWDKGPSHQ-NSHDSACASA-N 384.414 -0.232 5 20 GBBD CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H](O)CN1CCOCC1 267595616 KMBRRKOCBFASJW-GFCCVEGCSA-N 396.400 -0.113 5 20 GBBD O=C(Nn1cn[nH]c1=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 272908675 QWPPSDMCIKTMKN-JTQLQIEISA-N 396.385 -0.349 5 20 GBBD COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] 275954981 FKLRPVGMZTVNJB-ZDUSSCGKSA-N 396.400 -0.307 5 20 GBBD CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 292859240 WHGQPDBZGPSOMH-ZDUSSCGKSA-N 399.429 -0.190 5 20 GBBD NC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 422986418 CMAIZHGBMHPCLV-CYBMUJFWSA-N 377.401 -0.571 5 20 GBBD CS(=O)(=O)NCCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 498327015 VVQMZTXVNSVKMP-UHFFFAOYSA-N 387.418 -0.551 5 20 GBBD O=C1NC(=O)N2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]12 498909313 MBKZZGPSXFGKCN-SECBINFHSA-N 398.353 -0.709 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)Cn1ccnn1 521900701 VFVRAZWNHPHQAZ-JTQLQIEISA-N 385.358 -0.688 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(N(C)[C@@H]3CCNC3=O)c([N+](=O)[O-])c2)CC1 533910564 HUFFGUNKEKCWCM-CQSZACIVSA-N 397.457 -0.144 5 20 GBBD CS(=O)(=O)Nc1ccc(OCCNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 538049529 PHJADPVDMMHFDT-UHFFFAOYSA-N 384.374 -0.247 5 20 GBBD CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 541992523 IQAXVBGMSUHPAG-UHFFFAOYSA-N 391.428 -0.087 5 20 GBBD CNC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CCO1 599127240 ANKQHGDGGUJLHG-JTQLQIEISA-N 387.418 -0.363 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NC2CC(N3CCOCC3)C2)cc1[N+](=O)[O-] 600066754 LFBIECSXXRFWHI-UHFFFAOYSA-N 384.414 -0.165 5 20 GBBD CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 610590016 PWILOVDSMVEIQR-XPTSAGLGSA-N 383.386 -0.011 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N3C[C@@H](O)C[C@@H]3CO)cc2[N+](=O)[O-])CC1 611479550 RXTIVHPJWPXRMI-CABCVRRESA-N 392.412 -0.169 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 764160204 YPLPBHOZLUZHKK-VIFPVBQESA-N 384.370 -0.173 5 20 GBBD CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 826050893 HNTXRZICKYWHFM-MRVPVSSYSA-N 383.390 -0.223 5 20 GBBD CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 918760628 RZMLLTRJODPLPB-UHFFFAOYSA-N 386.748 -0.018 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCNC1=O 1325479669 ZFTPXRHCLOTZHT-ZDUSSCGKSA-N 390.400 -0.625 5 20 GBBD CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 1331072368 RAYGUAMJQQPYBQ-MRXNPFEDSA-N 390.396 -0.157 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1779382024 ROIZPCQTZFFWLZ-OHUAYANFSA-N 379.373 -0.468 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1ncon1 1798350463 DYTLYMKXDNTOBG-AYMMMOKOSA-N 377.317 -0.782 5 20 GBBD Cn1c(=O)c2c(ncn2CCn2cc(Cl)cc([N+](=O)[O-])c2=O)n(C)c1=O 158756224 OVTMUSCSJXIWPV-UHFFFAOYSA-N 380.748 -0.143 5 20 GBBD O=C(CN1CC[C@@H](O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 265147426 NSPVYZYLGVSHNZ-CQSZACIVSA-N 398.441 -0.506 5 20 GBBD CCN(CC)CC(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269094226 IIMDDKNNTJWMQH-UHFFFAOYSA-N 381.437 -0.013 5 20 GBBD COc1ccc(S(=O)(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] 269835566 PMLKXGONBMPRMZ-GFCCVEGCSA-N 389.430 -0.083 5 20 GBBD COCCN(CCO)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 270361316 QLUORIDBSQABMA-UHFFFAOYSA-N 390.418 -0.489 5 20 GBBD O=C(CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCOCC1 271996452 RBLWSEFNLDDAED-UHFFFAOYSA-N 387.370 -0.497 5 20 GBBD CN1CCC[C@@H]1C(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 273463782 IYKHRZCKDQSACM-CYBMUJFWSA-N 397.457 -0.015 5 20 GBBD NC(=O)N[C@@H](CO)C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 274721795 AUXQMBKLXZBYRB-ZDUSSCGKSA-N 391.388 -0.461 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 274967289 BYGDTGMOLJGFLF-NSHDSACASA-N 392.411 -0.002 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CC(N)=O)C(=O)C1 459689518 FVMSKZKRIUEAND-UHFFFAOYSA-N 379.373 -0.439 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 468646032 BAWXVIMQJSVBKF-GFCCVEGCSA-N 378.341 -0.785 5 20 GBBD NS(=O)(=O)CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 544071908 ZOMSOMDHZIQDJM-ZDUSSCGKSA-N 388.446 -0.759 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2nncn2C[C@@H]1C(=O)O 591652977 IASPMNALEQYOBJ-BXKDBHETSA-N 388.340 -0.200 5 20 GBBD CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 598868381 SKSFVRMYIDTMQA-UHFFFAOYSA-N 393.400 -0.019 5 20 GBBD Cn1cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 610109167 AEZMGMZLEKBAOW-UHFFFAOYSA-N 389.324 -0.644 5 20 GBBD Cn1cc(S(=O)(=O)NCCOC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 744902955 QRGKVFROKROGFG-UHFFFAOYSA-N 385.358 -0.988 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 748102612 SBWBVULMMMVWLW-SNVBAGLBSA-N 399.385 -0.500 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 824203226 SLDBGSNIEHIWMQ-KRWDZBQOSA-N 392.412 -0.369 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)c1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-] 830706495 NBYIFBCELTWQMT-CYBMUJFWSA-N 396.400 -0.462 5 20 GBBD CCn1cc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)O)c([N+](=O)[O-])n1 833682318 PZWHBCVYCPGPLA-UHFFFAOYSA-N 391.406 -0.781 5 20 GBBD CN(C)CCOCCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1261123327 BTGOPOCQBNDEFQ-UHFFFAOYSA-N 380.401 -0.121 5 20 GBBD CO[C@H]1CN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H]1OC 1329126094 JJVROCTVSVDAMS-BETUJISGSA-N 377.357 -0.041 5 20 GBBD CN1CC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 265774283 HSENNUGGZDOQIY-LBPRGKRZSA-N 385.402 -0.597 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 266231656 YFDLXIVOLYYKJY-UHFFFAOYSA-N 390.399 -0.019 5 20 GBBD COCCn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)c(O)nc1=O 268491292 OLIXAPJDRNVHGI-UHFFFAOYSA-N 379.329 -0.561 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 273577714 JUUDYFRTUSPMDA-SECBINFHSA-N 396.422 -0.072 5 20 GBBD NC(=O)CC1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 280856717 WTTNCHSWCDNFEP-UHFFFAOYSA-N 384.414 -0.013 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)CO 288646929 XEMNHVDXQDGSHX-UWVGGRQHSA-N 379.373 -0.323 5 20 GBBD O=C(O)[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCS1(=O)=O 424244061 NSJCJBDIQQAAEB-GFCCVEGCSA-N 395.353 -0.501 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 447916381 OYODASJQZWIHBZ-SNVBAGLBSA-N 380.313 -0.765 5 20 GBBD CS(=O)(=O)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 506031048 NCLZLQRAJKVVMA-UHFFFAOYSA-N 379.416 -0.429 5 20 GBBD CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 521962023 HLPQVLRGGKRRPZ-LBPRGKRZSA-N 392.368 -0.167 5 20 GBBD COc1ccc(CC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 531120150 URDXGLUTVOAQRJ-UHFFFAOYSA-N 386.430 -0.421 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCNC1=O 591056243 GVDIKAPTZVXYGZ-NSHDSACASA-N 384.414 -0.094 5 20 GBBD C[C@H](N)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 592308910 OXFOAJLRDQHJBR-FZMZJTMJSA-N 386.430 -0.210 5 20 GBBD Cc1noc(CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)c1[N+](=O)[O-] 596024929 SUUARTDXDVCISB-UHFFFAOYSA-N 381.345 -0.096 5 20 GBBD COc1ccc(C(=O)NCC(=O)N2CC(NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 600342461 KYDRZPOIGUGONH-UHFFFAOYSA-N 386.386 -0.907 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(C)n(C)c1C(=O)NCCO 617886569 RTPOMJJHLQAGAM-UHFFFAOYSA-N 379.377 -0.107 5 20 GBBD CCc1[nH]nc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c1[N+](=O)[O-] 795611219 HGSNGYIYRUNCJU-UHFFFAOYSA-N 391.406 -0.565 5 20 GBBD NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOCC1 826390208 STSCOUAYELRQOC-UHFFFAOYSA-N 397.373 -0.912 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC2)CC1 1117876073 ICBCGVXMWACMPO-UHFFFAOYSA-N 396.425 -0.032 5 20 GBBD COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1605129687 ROXABUPXBRNZJX-RKDXNWHRSA-N 384.374 -0.455 5 20 GBBD CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)O 1798685978 VGCJSAQKWZSZGP-LMLFDSFASA-N 394.388 -0.368 5 20 GBBD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 48276059 ZHLRZIDUKYDYCZ-UHFFFAOYSA-N 398.401 -0.071 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 273261002 CDKLTXGIPKDLKD-DGCLKSJQSA-N 385.398 -0.472 5 20 GBBD O=C1[C@H]2[C@@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 277974687 SIFAWZDLLHWULC-QWHCGFSZSA-N 398.397 -0.339 5 20 GBBD Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 283481025 KORLHLWCHBQXIF-UHFFFAOYSA-N 398.387 -0.274 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCCN1CC2 372353915 BWDZHUIHEACQSP-HNNXBMFYSA-N 397.457 -0.621 5 20 GBBD O=C(C(=O)N1C[C@H]2CCNC[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423591669 KPCDBSNPWWBNGM-ZIAGYGMSSA-N 388.428 -0.294 5 20 GBBD O=C(CCN1C(=O)CCC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 522631789 RLOXHPACPJMBAN-UHFFFAOYSA-N 398.397 -0.472 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)cc1[N+](=O)[O-] 541147076 RPEWROCOCLANQQ-UHFFFAOYSA-N 380.357 -0.143 5 20 GBBD O=C(C(=O)N1C[C@@H]2CCNC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 574868567 BTJOHTYHWWVJAX-UONOGXRCSA-N 388.428 -0.294 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)NCCCN2CCCCCC2=O)c1=O 603911220 PONUWWOVRMKIAM-UHFFFAOYSA-N 393.400 -0.236 5 20 GBBD O=C(NCc1ncc[nH]1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611642121 OIZVGVXOXKXZKB-PWSUYJOCSA-N 395.397 -0.242 5 20 GBBD Cc1c(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)nnn1-c1ccn(C)n1 815974699 OBIIFHSMMXLBIG-UHFFFAOYSA-N 392.357 -0.269 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1=NN(C)C(=O)CC1 817644508 WXTHEJHJJUSSSA-UHFFFAOYSA-N 397.413 -0.060 5 20 GBBD Cc1c(CS(=O)(=O)NC(=O)c2cn(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-] 842404922 BWSBTXFPYAEHCM-UHFFFAOYSA-N 396.381 -0.440 5 20 GBBD Cn1c(-c2n[nH]cc2[N+](=O)[O-])nnc1N1CCN(C(=O)CN2CCCC2)CC1 1123255274 BBCRVUFDGCPNEB-UHFFFAOYSA-N 389.420 -0.142 5 20 GBBD Cn1cc([C@H]2C[S@](=O)CCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1320785856 DSNLAAJSPIOOLK-ZBSNKRKSSA-N 379.398 -0.178 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1[C@H]2COC[C@H]21 1593172238 CRFULYUZPAGFNT-JZYVYDRUSA-N 380.342 -0.528 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)c1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 1609272898 GKYUAIUMPVNUSW-LLVKDONJSA-N 378.393 -0.514 5 20 GBBD Cn1ncnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794275452 IEEORDGJIAENMI-ZSBIGDGJSA-N 388.388 -0.128 5 20 GBBD C[C@@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277051 VYZGNKHUDMLAPI-FVCCEPFGSA-N 378.389 -0.436 5 20 GBBD NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1796341526 DCMCAOMVJUOGFF-JLUCKKNBSA-N 395.391 -0.777 5 20 GBBD CN(C)CCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1842823232 IHLHKMWRPCNIQX-UHFFFAOYSA-N 391.428 -0.088 5 20 GBBD CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 62026870 FVFSWTHFNQVDKI-UHFFFAOYSA-N 392.459 -0.550 5 20 GBBD NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 265548321 YDWKGOZLPJRFCD-UHFFFAOYSA-N 384.823 -0.242 5 20 GBBD Nc1c([N+](=O)[O-])ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1F 266864348 QDEUDCFBTCFHDH-UHFFFAOYSA-N 381.364 -0.177 5 20 GBBD CNS(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 285148580 OOWNQACPLZFVEK-UHFFFAOYSA-N 378.432 -0.416 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 291886415 QVJZZMVPDUTAPY-WTDIUWLJSA-N 387.414 -0.279 5 20 GBBD CNC[C@H](C)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 419949213 KVUPNEAMDZNIPX-NSHDSACASA-N 397.457 -0.088 5 20 GBBD CC[C@@H](C)NC(=O)CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 468872037 IEACJLOOIZZFIL-CYBMUJFWSA-N 379.417 -0.185 5 20 GBBD COc1cc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1[N+](=O)[O-] 469147771 RNLWYXRTIPTJRQ-UHFFFAOYSA-N 384.370 -0.034 5 20 GBBD CN1CC[C@@](O)(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 545156255 QGFWVDZRUOJQPS-OAHLLOKOSA-N 386.430 -0.602 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCS(=O)(=O)CC1 557920319 CCXDBADWCUXSOR-UHFFFAOYSA-N 393.443 -0.388 5 20 GBBD CNc1nccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)c1[N+](=O)[O-] 561158198 AUDSACOHDORWRT-UHFFFAOYSA-N 375.389 0.546 5 20 GBBD NS(=O)(=O)c1ccc(NCCc2nc(N3CCNCC3)no2)c([N+](=O)[O-])c1 823320539 DOABQKAMKVHVIV-UHFFFAOYSA-N 397.417 -0.311 5 20 GBBD CS(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 860861563 ZWVYHJSOZHPIIY-VIFPVBQESA-N 392.415 -0.534 5 20 GBBD Cn1cnc2c1c(=O)n(CC(=O)N1Cc3ccc([N+](=O)[O-])cc3C1)c(=O)n2C 1323281890 DPXUOPLCJXBVHS-UHFFFAOYSA-N 384.352 -0.116 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1590748970 VJNPYEMVOLHNSQ-UHFFFAOYSA-N 375.345 -0.013 5 20 GBBD O=C(NCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)c1c[nH]c(-c2nn[nH]n2)c1 1593072836 HZNJRKPHUILGIM-DGCLKSJQSA-N 388.388 -0.029 5 20 GBBD COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793169163 ROGGXTPHQSZVHN-DOFRTFSJSA-N 383.361 -0.860 5 20 GBBD O=C(NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808364764 QUWDHSWUIPXIBB-ZYHUDNBSSA-N 390.356 -0.657 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845913356 BFGHHEQVOCKCDT-LLVKDONJSA-N 397.413 -0.288 5 20 GBBD CC(C)[C@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(N)=O 264558182 UCVIQGVNKUNFCU-ZDUSSCGKSA-N 387.418 -0.330 5 20 GBBD C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)N(C)C 265345932 ZNISRVVKHUTFGO-SNVBAGLBSA-N 387.418 -0.351 5 20 GBBD NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 265499925 MMBJYHSYLQYOSB-UHFFFAOYSA-N 384.823 -0.242 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc[nH]n1C 421089143 SFTXHBNHMFTVKM-UHFFFAOYSA-N 383.390 -0.413 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCC(=O)NCCO)cc2[N+](=O)[O-])CC1 432732888 ZVHSGLAZQLKWGS-UHFFFAOYSA-N 393.400 -0.898 5 20 GBBD COCc1noc(CN2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)n1 436421515 QYYOKOVBNLOBPC-UHFFFAOYSA-N 377.361 -0.060 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@](C)(O)CN2CCOCC2)c([N+](=O)[O-])c1 443244439 OXEVUVAYIRAXSA-HNNXBMFYSA-N 389.430 -0.035 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 446327364 VIMMEZLTMDJCSV-DPDCMNJDSA-N 386.364 -0.320 5 20 GBBD CCN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)NC1=O 503620695 UKTPLLCEAJFYEJ-LBPRGKRZSA-N 398.397 -0.473 5 20 GBBD CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 525699899 ZGXNUXDGJFLRPF-UHFFFAOYSA-N 385.402 -0.653 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 593792190 KMKKQKCPHGFVTG-SECBINFHSA-N 392.415 -0.994 5 20 GBBD O=C1NCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 595660513 TVQOTQANRULTPU-ZDUSSCGKSA-N 397.413 -0.501 5 20 GBBD Cn1c(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O 596086852 DUGILVDAJQRLIB-UHFFFAOYSA-N 383.386 -0.617 5 20 GBBD Cn1nnnc1CCNC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 611319524 ZIOURLUUEBLBLT-UHFFFAOYSA-N 391.344 -0.423 5 20 GBBD Cn1ncc(CCCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 817957472 IVQICLGLSKEGOQ-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD COCCNC(=O)CN1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 821690944 CDWLCURQCTZQMA-UHFFFAOYSA-N 391.392 -0.946 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cnccn2)c1-c1nn[nH]n1 826500082 KOANITYUDKOCFZ-UHFFFAOYSA-N 391.373 -0.045 5 20 GBBD C[C@@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1cccnc1[N+](=O)[O-])n1cccn1 851329685 PNMOYYRPIFNXTP-JTQLQIEISA-N 396.385 -0.289 5 20 GBBD CN(CCCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)S(C)(=O)=O 1333819329 LFGDCITXEFTHJO-UHFFFAOYSA-N 384.414 -0.165 5 20 GBBD CN(C)S(=O)(=O)N1CCC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 1591023034 JJSNOHKSTMNDIE-SECBINFHSA-N 397.421 -0.147 5 20 GBBD O=C1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)N1 1779378626 FLADODQPAFGTGI-HWPZZCPQSA-N 392.372 -0.960 5 20 GBBD NC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1781770074 ODZBJFVLZOPUDL-SUMWQHHRSA-N 395.391 -0.537 5 20 GBBD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2)n1cnnn1 1803089272 GPCYGSSVWHWHNP-MMWGEVLESA-N 389.376 -0.183 5 20 GBBD Cn1c(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc(=O)n(C)c1=O 10536781 MFRNCXHWTIOELO-KRWDZBQOSA-N 387.352 -0.041 5 20 GBBD NC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 16738126 MTJGULILENWCQO-UHFFFAOYSA-N 391.384 -0.799 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 31672176 RLEHSILQYSSRJF-ZIAGYGMSSA-N 399.425 -0.049 5 20 GBBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)N1CCOCC1 109368267 GHSFBDFYEDFQTO-JTQLQIEISA-N 385.398 -0.025 5 20 GBBD COC(=O)[C@@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)OC 291988160 SUFOGALJRCQUSP-LLVKDONJSA-N 376.343 -0.168 5 20 GBBD Cc1nc([N+](=O)[O-])c(-c2noc(CN3CCN(S(C)(=O)=O)CC3)n2)n1C 350263718 JHALYGNLKYLWCG-UHFFFAOYSA-N 385.406 -0.236 5 20 GBBD O=C(NCC(=O)N1CCN(C(=O)CO)CC1)NCc1ccc([N+](=O)[O-])cc1 481875819 ZKVTUTPSJPWPAY-UHFFFAOYSA-N 379.373 -0.943 5 20 GBBD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@H]1CNC[C@@H]1O 493972967 FSCUIGUNPSNZBZ-VWYCJHECSA-N 386.430 -0.264 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](CO)O1 502812711 GFTDTIKURKAJRI-ONGXEEELSA-N 377.357 -0.305 5 20 GBBD O=C(CN1CC(=O)NC1=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 560432524 OJBZKAHITXYYMR-UHFFFAOYSA-N 387.356 0.008 5 20 GBBD C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](C)CO 576602846 FQBCWIWDTDYOQU-STQMWFEESA-N 395.416 -0.771 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 581387797 LUDGLCDFJUNUJE-LLVKDONJSA-N 384.414 -0.148 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 582364070 ULSGQOBMYHHJOE-LLVKDONJSA-N 380.386 -0.061 5 20 GBBD O=C(O)[C@@H]1CC(=O)N(C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)C1 593702049 OGURTYXIJOOFMK-LLVKDONJSA-N 394.388 -0.102 5 20 GBBD CN1C[C@H](C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])NC1=O 596681702 HPJZDPLUMSAZLZ-LLVKDONJSA-N 385.402 -0.450 5 20 GBBD CN1C[C@H](C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)NC1=O 597787622 DSGCOFOBEMGCRT-GFCCVEGCSA-N 385.402 -0.645 5 20 GBBD CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 604208030 RFCILESWNWTBIV-UHFFFAOYSA-N 385.402 -0.516 5 20 GBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] 809837740 HRLNXDGPOKOWDR-MRVPVSSYSA-N 382.192 -0.258 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](CO)[C@@H](O)C1 811837925 KWSXZFCRAQRCJB-GWCFXTLKSA-N 375.403 -0.044 5 20 GBBD CCn1cc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)O)CC2)c([N+](=O)[O-])n1 833682325 QTRNZDNQFMGAFY-JTQLQIEISA-N 375.407 -0.019 5 20 GBBD COC(=O)CN(C)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1254057001 KQWWOLRWEHXFQI-UHFFFAOYSA-N 378.341 -0.588 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477542 YGJPCKWDVUTQEK-GUBZILKMSA-N 390.360 -0.657 5 20 GBBD CC(C)(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792915384 BVIDXZRSVGSMHB-IQOUGMIPSA-N 395.416 -0.072 5 20 GBBD Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1794571695 LLTRJZOOJXJFFX-DDFAGTSDSA-N 389.372 -0.432 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccnn1 1796329163 FQWBMYRSYZFOQV-CLLJXQQHSA-N 388.388 -0.279 5 20 GBBD CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800281431 KQZLVGHXMHUNFE-DRXBFXEBSA-N 378.385 -0.244 5 20 GBBD O=C([C@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412817 SVCULZNCOVHCOT-LLVKDONJSA-N 397.413 -0.288 5 20 GBBD C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CCS(N)(=O)=O)CC1 266871536 QBDYREMQDQQQMX-GFCCVEGCSA-N 385.446 -0.172 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 298390563 ZJQBBVPTTPHIQB-UHFFFAOYSA-N 380.401 -0.120 5 20 GBBD CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 425745594 SPWQZCASRJVVAI-SNVBAGLBSA-N 390.356 0.565 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 436754347 YIDIIMLGQRNHLD-UHFFFAOYSA-N 390.352 -0.266 5 20 GBBD CNC(=O)C[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 455475197 XVHPHHSPUXKXCP-JTQLQIEISA-N 387.418 -0.303 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 593325499 CKFRZJLNIOHTDB-VIFPVBQESA-N 377.357 -0.009 5 20 GBBD COc1ccc(NC(=O)C(=O)NC[C@@]2(OCCO)CCOC2)cc1[N+](=O)[O-] 595124438 CVBFCPXESJRFAO-INIZCTEOSA-N 383.357 -0.174 5 20 GBBD NS(=O)(=O)c1ccccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 615489015 VMGDXCFFEYWQPT-UHFFFAOYSA-N 394.413 -0.213 5 20 GBBD CN1CCN(S(=O)(=O)c2ccc(NCCn3cnnn3)c([N+](=O)[O-])c2)CC1 845575007 QWVSETISXLUVKE-UHFFFAOYSA-N 396.433 -0.371 5 20 GBBD CNC(=O)NC[C@@H]1CN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CCO1 863289008 VVCUMTINQRRASQ-CYBMUJFWSA-N 392.372 -0.001 5 20 GBBD CC(C)[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCS(=O)(=O)C1 913305034 HEMHXDJEYFPSAP-GWCFXTLKSA-N 388.402 -0.338 5 20 GBBD CN(CCNS(C)(=O)=O)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1318514450 ODRPCAQRTYENBH-UHFFFAOYSA-N 386.386 -0.672 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 1322647014 VAVIUKDVCJTSTJ-AWEZNQCLSA-N 398.441 -0.206 5 20 GBBD O=C(Cn1cncn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379957 OQWGIKAKRLIRGQ-OAHLLOKOSA-N 390.360 -0.947 5 20 GBBD Cn1cncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383078 KTCQSIZTECGJQQ-INIZCTEOSA-N 389.372 -0.191 5 20 GBBD COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 66236029 NUHXXKXYNGPLEL-UHFFFAOYSA-N 376.343 -0.060 5 20 GBBD COC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCNCC1 262617576 MXTZNXRMBZHNLQ-UHFFFAOYSA-N 386.430 -0.242 5 20 GBBD CN1CC[C@H](N(C)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 265786547 WFFDVAYCZTYJHU-ZDUSSCGKSA-N 399.429 -0.255 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)CC1 289789910 XPMDSYDNQMMCTN-UHFFFAOYSA-N 386.415 -0.179 5 20 GBBD CNc1nc(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)ccc1[N+](=O)[O-] 425321847 SOFRMPOZXKEAOE-GFCCVEGCSA-N 394.432 -0.060 5 20 GBBD CN(CC(=O)O)[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O 435693728 VFHKXXHNCVFBDH-ZIAGYGMSSA-N 394.384 -0.697 5 20 GBBD NC(=O)c1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 439105735 JLZXOWNJMZJWOG-UHFFFAOYSA-N 377.401 -0.326 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CS(=O)(=O)CCO1 512136015 OZVHMMAFKUCJKR-GWCFXTLKSA-N 385.398 -0.357 5 20 GBBD CC(C)c1nnnn1CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 531071867 PWFUNWFPGXOTLR-UHFFFAOYSA-N 397.417 -0.201 5 20 GBBD NC(=O)N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 536526663 NIOGKIBSLGOVLS-SNVBAGLBSA-N 385.402 -0.468 5 20 GBBD CNc1nccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1[N+](=O)[O-] 577640986 SJKDLZGUURMDNF-UKJIMTQDSA-N 385.380 0.568 5 20 GBBD NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 593539004 RZHPQTDBDVOKRG-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)C2(n3cnnn3)CC2)c([N+](=O)[O-])c1 596682442 LGRZTLDRCIQEIB-UHFFFAOYSA-N 395.401 -0.298 5 20 GBBD NC(=O)N1CCN2C(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3F)C(=O)[C@@H]2C1 600538064 SFTVNRGXLXGLLY-NSHDSACASA-N 379.304 -0.056 5 20 GBBD CCN1CCN(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C(=O)C1=O 734735921 MIXOFYHHKQYZJG-UHFFFAOYSA-N 398.397 -0.601 5 20 GBBD CS(=O)(=O)C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CCO1 1591671120 HNYBUFKZDNNVCS-MRVPVSSYSA-N 383.390 -0.393 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2)c1ccc([N+](=O)[O-])o1 1792354923 FGGBIAARNPMAII-QHBPRCKVSA-N 390.356 -0.317 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2)c1ccc([N+](=O)[O-])[nH]1 1798748558 WSXJFGKTHZRRAF-BZBKMWRSSA-N 376.329 -0.177 5 20 GBBD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2)c1nc[nH]c1[N+](=O)[O-] 1817195466 QFTBZROBOSHYPV-RXMQYKEDSA-N 382.358 -0.689 5 20 GBBD COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 275536639 KRRXZIIPSVBURU-IUODEOHRSA-N 395.368 -0.142 5 20 GBBD COC(=O)[C@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)OC 291988162 SUFOGALJRCQUSP-NSHDSACASA-N 376.343 -0.168 5 20 GBBD O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NCCCO 298211012 VIPFMQWPUPZTHU-UHFFFAOYSA-N 388.446 0.000 5 20 GBBD CNC(=O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 422223060 BKKWUEIQARZLED-LLVKDONJSA-N 399.429 -0.349 5 20 GBBD CN(CC(N)=O)C[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCO1 434219833 YDLJRIVYVIPYRQ-NSHDSACASA-N 386.430 -0.379 5 20 GBBD COc1ccc(C(=O)NCC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1[N+](=O)[O-] 583450677 XBCJPNXHNILYQN-GOSISDBHSA-N 392.412 -0.094 5 20 GBBD O=C(C(=O)N1CC[C@H]2CCN[C@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 591582406 HEVINRBVLLXTHJ-KGLIPLIRSA-N 388.428 -0.151 5 20 GBBD O=C(NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1 595549744 LUXPGAVUOHUHFO-OAHLLOKOSA-N 382.421 -0.342 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1COCCN1 599914201 CSCWWCHJAFIDMD-NSHDSACASA-N 387.418 -0.839 5 20 GBBD CS(=O)(=O)NC1CC(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 619778412 GBGAWRHVVGPVAN-UHFFFAOYSA-N 391.427 -0.192 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 768881142 GIQZCVHQPDZCOA-QMMMGPOBSA-N 384.461 -0.150 5 20 GBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCS(=O)(=O)N1CCOCC1 782306744 HLTFDWKRGQHYNA-UHFFFAOYSA-N 394.431 -0.684 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)Oc1cc(C(=O)O)ccc1[N+](=O)[O-] 830136666 DQYRNKODWOKINS-UHFFFAOYSA-N 382.372 -0.059 5 20 GBBD COC[C@@H](CS(=O)(=O)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)OC 853200602 MNXOLXYRQRSGOB-NSHDSACASA-N 399.385 -0.104 5 20 GBBD COC(=O)CCN1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 1117561884 GDEJOELBICURAH-LBPRGKRZSA-N 396.404 -0.997 5 20 GBBD CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)C1 1784783064 CIVHJZBBBPZXMU-INIZCTEOSA-N 378.389 -0.677 5 20 GBBD C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838826698 VMSSVYIRUDZAKD-YVEFUNNKSA-N 395.416 -0.412 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 264603664 XZOUDPZOPVMOCF-GFCCVEGCSA-N 379.325 -0.324 5 20 GBBD COCCCS(=O)(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 270581455 QTTYDSTUIHMQNH-UHFFFAOYSA-N 388.446 -0.260 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273380439 QXMYOWDGVBQELZ-UHFFFAOYSA-N 396.385 -0.375 5 20 GBBD COCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416379360 WQZSBSJINORMEK-UHFFFAOYSA-N 375.359 -0.578 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 423688341 XIFJQWRVIZLIJS-ZDUSSCGKSA-N 389.412 -0.301 5 20 GBBD COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 442114628 YOKKGYAWBCBPPB-YGRLFVJLSA-N 381.341 -0.290 5 20 GBBD NS(=O)(=O)c1cnn(CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c1 461396772 BCBDPDAUARCPPX-UHFFFAOYSA-N 381.370 -0.140 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1 566317011 CCQUGGACURYFCO-UHFFFAOYSA-N 393.399 -0.441 5 20 GBBD COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] 594826801 OAEJNBGMOWSMAO-CABZTGNLSA-N 380.400 -0.306 5 20 GBBD CNC(=O)CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 609097347 XACZDWLHHDWQGI-UHFFFAOYSA-N 391.384 -0.790 5 20 GBBD COC(=O)CNC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 733560114 XTQAJCRMZNJDBZ-SECBINFHSA-N 383.313 -0.375 5 20 GBBD O=C1CCN(CC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(=O)N1 733561135 BEGZIHXNMXENBG-UHFFFAOYSA-N 376.325 -0.031 5 20 GBBD C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 758481100 ZJLQSCIZJCADQB-SSDOTTSWSA-N 389.342 -0.257 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NN1CC(=O)N(C)C1=O 776241546 KBTDPMHZISQRSX-MRVPVSSYSA-N 399.385 -0.036 5 20 GBBD Cn1c(=O)c2nc(COC(=O)COc3ccccc3[N+](=O)[O-])[nH]c2n(C)c1=O 785002381 UVGLGFMQEQYYFS-UHFFFAOYSA-N 389.324 -0.009 5 20 GBBD COC(=O)[C@@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOC1 826124828 WTRRFMOHODALMV-CYBMUJFWSA-N 398.357 -0.615 5 20 GBBD CCNC(=O)CN1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 1325358570 TUHIAQJOGNKYLA-UHFFFAOYSA-N 389.412 -0.283 5 20 GBBD CS(=O)(=O)N1CCC(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 1346881327 VACWGDUTODLITQ-UHFFFAOYSA-N 398.441 -0.206 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCn3nncc3C2)c1-c1nn[nH]n1 1607085162 LFXUODXFWVLOES-UHFFFAOYSA-N 377.346 -0.429 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2)C(O)O 1792798921 JREXCGJIPBUEPL-YFKFIEJBSA-N 383.332 -0.752 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2)c1nc[nH]c1[N+](=O)[O-] 1796405711 OXNPMJDUCVNGKT-USZNOCQGSA-N 379.373 -0.300 5 20 GBBD CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 139320607 HLCGMFBJQIESMW-UHFFFAOYSA-N 392.459 -0.550 5 20 GBBD CNC(=O)CCN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264218674 UDFDVBIPSNWLKE-UHFFFAOYSA-N 387.418 -0.361 5 20 GBBD Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 275967638 UGEXYJWDAXWFFJ-LLVKDONJSA-N 375.341 -0.989 5 20 GBBD CNC(=O)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 280752318 KSRHYDZJRFLMLI-NSHDSACASA-N 384.414 -0.142 5 20 GBBD COC[C@@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 288230411 ANQTYSSSIYLOTD-NSHDSACASA-N 377.357 -0.039 5 20 GBBD CN(C(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc([N+](=O)[O-])cc1 298715650 BXJOXAZARHNSHV-UHFFFAOYSA-N 389.412 -0.020 5 20 GBBD C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C 299148374 DVOKWTDWALZGRA-SNVBAGLBSA-N 387.418 -0.351 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 375551425 HRLCCZOTDVCUDR-UHFFFAOYSA-N 393.747 -0.039 5 20 GBBD COCCOCCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 420995819 FEFHKEAUELMGDM-UHFFFAOYSA-N 395.416 -0.192 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(O)CN1CCOCC1 443245405 GENMPQNUDRHPNM-HNNXBMFYSA-N 389.430 -0.035 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)CO)CC2)cc1OC 536302429 CVNRGOYXKXGPTA-UHFFFAOYSA-N 397.384 -0.095 5 20 GBBD CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])CCO1 565060780 HEIRBVGHTYOSAH-SNVBAGLBSA-N 387.370 -0.181 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CC[C@@H](O)C1 600536758 WUOOEDARAPVNMO-CYBMUJFWSA-N 386.430 -0.554 5 20 GBBD CN(CCN1CCCS1(=O)=O)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 610587858 KMJVQJQHSDRBLG-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD Cn1cc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 754595713 KUVXPRJZWXSMKQ-UHFFFAOYSA-N 396.381 -0.804 5 20 GBBD Cn1nncc1C(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 803243323 NKPBBOURIZBRNS-UHFFFAOYSA-N 375.297 -0.125 5 20 GBBD CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 843242857 QJKBUQJNMZOLAJ-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 1257169566 URCCLSPYRJMZPV-SNVBAGLBSA-N 392.338 -0.092 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 1261340190 WVGUGASQUXMOPS-ZDUSSCGKSA-N 382.398 -0.413 5 20 GBBD CC(=O)NCC(=O)NCCN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 1588846121 CWNPYPKMRGVKLB-UHFFFAOYSA-N 388.388 -0.004 5 20 GBBD CN(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477137 LDBGWCZLHVUPNS-AVGNSLFASA-N 394.432 -0.137 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])[nH]1 1811617735 ZJKQYJJVBRUEBL-SMDDNHRTSA-N 389.368 -0.052 5 20 GBBD NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 1845576858 KQURBBRAGGJZDM-NSHDSACASA-N 387.400 -0.426 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 267208035 NZXGCKAJVVQDPJ-CABCVRRESA-N 399.425 -0.481 5 20 GBBD COCCNC(=O)CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 267455090 OEYKZZKXYYECCA-MRXNPFEDSA-N 396.444 -0.285 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 276033848 LQNZIGPBIPQADO-ZDUSSCGKSA-N 396.400 -0.307 5 20 GBBD CN(C)CCCNS(=O)(=O)c1ccc(N2C[C@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 277440248 NDUULPMKBLUMLF-GASCZTMLSA-N 388.446 -0.633 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 281930990 OTLITGVQYXVIBP-UHFFFAOYSA-N 385.446 -0.247 5 20 GBBD COCCN(C(=O)Cn1cc([N+](=O)[O-])c(C)cc1=O)[C@@H]1CCS(=O)(=O)C1 283761085 ARHBPQSNTWNUCO-GFCCVEGCSA-N 387.414 -0.273 5 20 GBBD O=C(O)CCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 420588462 HHFRHKYKKAAUJW-UHFFFAOYSA-N 398.397 -0.078 5 20 GBBD O=C(NC[C@@H]1CNCCO1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 423993804 RFWKMZLMYYQRMR-ZFWWWQNUSA-N 398.441 -0.148 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1[N+](=O)[O-] 464090257 FPBUZCZEKMWENX-UHFFFAOYSA-N 384.374 -0.098 5 20 GBBD COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1=O 472694238 UEWPYSHTDPOGBX-GFCCVEGCSA-N 396.331 -0.047 5 20 GBBD C[C@H](CNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)S(N)(=O)=O 541949014 YDFKDZTWBJDSGR-LLVKDONJSA-N 386.430 -0.173 5 20 GBBD COc1cc(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1C 547839170 LIQHHDONJCAFSV-UHFFFAOYSA-N 398.401 0.437 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 563153212 SPZGNPKDAPOWNE-UHFFFAOYSA-N 390.396 -0.203 5 20 GBBD CO[C@@H]1COC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 566167477 JNDQBYXJBPOACM-ZYHUDNBSSA-N 388.402 -0.414 5 20 GBBD C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1)C(=O)N1CCOCC1 577284529 DWBQQRSCCKLWIN-VIFPVBQESA-N 387.370 -0.181 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 593452433 AIFVHYFYTXXXJQ-PHIMTYICSA-N 399.429 -0.222 5 20 GBBD CC(=O)NCC(=O)N1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1588855780 HEPYVDONHXYXEI-UHFFFAOYSA-N 388.388 -0.050 5 20 GBBD CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829481201 XRHOZQJOXUSYAA-QGZVFWFLSA-N 396.400 -0.181 5 20 GBBD O=C(CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccccc1[N+](=O)[O-] 265404398 ZDAQIPAIVQVHSS-HIFRSBDPSA-N 398.441 -0.379 5 20 GBBD CS(=O)(=O)N1CC[C@@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 269871728 NCECVAPVVMTHSH-VIFPVBQESA-N 378.432 -0.064 5 20 GBBD COC[C@H](CCO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 270215205 LVPJBYCSNUIKJE-NSHDSACASA-N 375.403 -0.271 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2C[C@H]3C[C@H]2C(=O)O3)c([N+](=O)[O-])c1 296227550 HFVYJDBGLHPXGT-YGRLFVJLSA-N 384.414 -0.061 5 20 GBBD Cc1c(C(=O)NCC(=O)NCC(F)F)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 435934839 JYTHTVXGDCCXQJ-UHFFFAOYSA-N 380.329 -0.338 5 20 GBBD COCCNC(=O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 518960787 DDSPXJBYPCVRHL-UHFFFAOYSA-N 388.402 -0.858 5 20 GBBD CCn1cc(S(=O)(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c([N+](=O)[O-])n1 549909037 CHTQBIGQSLWPTA-SNVBAGLBSA-N 383.390 -0.372 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H](C)CN1 568869458 IEPHMOJJPRMODL-QWHCGFSZSA-N 376.417 -0.153 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O 598668013 KGLVPIDBQNNCAO-STQMWFEESA-N 376.373 -0.513 5 20 GBBD CC(=O)N1CCN(C(=O)CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 609346781 RTQYIBCBMNZMQK-UHFFFAOYSA-N 380.405 -0.277 5 20 GBBD CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 742292535 GBYFGKXPBOAQNH-UHFFFAOYSA-N 392.459 -0.223 5 20 GBBD C[C@H]1NC(=O)N(CCOC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1=O 837371047 ZVGKKBCUUGKICG-MRVPVSSYSA-N 390.308 -0.326 5 20 GBBD COC(=O)[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 1117984495 NYMULDXDCYFYHR-CQSZACIVSA-N 393.352 -0.415 5 20 GBBD COCCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1605105448 YXINLGGUPKFTTO-UHFFFAOYSA-N 397.417 -0.272 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1781081709 NOLCAALEHNOLPO-WOSRLPQWSA-N 381.364 -0.021 5 20 GBBD CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783186550 CDETYDVOAZXFRK-KRWDZBQOSA-N 393.400 -0.107 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(NC[C@]2(O)CCOC2)c([N+](=O)[O-])c1 270037377 ZHHSEIAZUMDGDG-OAHLLOKOSA-N 388.446 -0.002 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 273920272 BHINPLJKWUYFOD-LLVKDONJSA-N 392.411 -0.136 5 20 GBBD O=C(C(=O)N1CCn2cncc2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297753472 OLVGXAOCSSZCDZ-UHFFFAOYSA-N 385.384 -0.123 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](O)C[C@@H]1CO 364029640 NMCBDUZYPGECCD-NEPJUHHUSA-N 388.402 -0.990 5 20 GBBD C[C@@H]1C(=O)N(C)CCN1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 429749222 QMUOEASJXZFJKC-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD O=[N+]([O-])c1ccc2nc(CN3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)[nH]c2c1 444676847 ONHIWFWUKWONEE-GJZGRUSLSA-N 395.441 -0.253 5 20 GBBD COC(=O)[C@H](CO)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 507512088 SEOLHKRAEXLTQP-ZDUSSCGKSA-N 394.384 -0.473 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1COCCO1 519187402 HGXISJVYMLBPTB-GFCCVEGCSA-N 388.402 -0.412 5 20 GBBD CS(=O)(=O)NCCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 559317725 OHGLMFKTCFVMMB-UHFFFAOYSA-N 384.414 -0.135 5 20 GBBD CNC(=O)Cn1nc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])cc1C 598615854 LSUMZBHMADACMX-UHFFFAOYSA-N 376.377 0.216 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1COCCN1 599914200 CSCWWCHJAFIDMD-LLVKDONJSA-N 387.418 -0.839 5 20 GBBD C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 611091363 QWMSQKVQMIVUBQ-SNVBAGLBSA-N 393.443 -0.188 5 20 GBBD COc1ccc(C(=O)NCC(=O)OCCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] 733381019 XDIDEPDNGQPXSG-UHFFFAOYSA-N 394.340 -0.182 5 20 GBBD O=C(O)COCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 743341511 MNHRUCBUHSKTMA-UHFFFAOYSA-N 387.370 -0.471 5 20 GBBD NC(=O)CN(CC(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 791420829 CMODQQUTWHFYKE-UHFFFAOYSA-N 385.185 -0.137 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c1 1593473647 DDHZOOZFTTXOAQ-MRVPVSSYSA-N 382.280 -0.024 5 20 GBBD CC[C@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380509 WWDCIBHSQPSVEN-MEDUHNTESA-N 380.405 -0.241 5 20 GBBD COC(=O)c1ccc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c([N+](=O)[O-])c1 22222843 JGAZYJLEIMWCKK-UHFFFAOYSA-N 392.324 -0.377 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCS(=O)(=O)NC1CC1 32433976 LJIPLUNGFDBLHG-UHFFFAOYSA-N 379.416 -0.037 5 20 GBBD CCNC(=O)[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66889047 VBDMTNLJGBMCHF-SNVBAGLBSA-N 387.418 -0.303 5 20 GBBD O=C1CN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1 274394972 TUSOXTCNXOAPSS-UHFFFAOYSA-N 379.398 -0.147 5 20 GBBD Cc1ccc(S(=O)(=O)N2CCCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 359874897 RLAOBINRXRXCMZ-UHFFFAOYSA-N 378.432 -0.197 5 20 GBBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CCNCC2)C1 417774553 ZJXIPDBXQAPGQK-UHFFFAOYSA-N 397.457 -0.234 5 20 GBBD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 487369102 UVFABIIHOSAXFN-IUCAKERBSA-N 391.406 -0.454 5 20 GBBD Cc1nn(C)c(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1[N+](=O)[O-] 524407303 MZYFUUDKGBNLBT-UHFFFAOYSA-N 394.417 -0.115 5 20 GBBD NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 525687973 BLSYIUKBQDDSHI-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD CNS(=O)(=O)N1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 570554171 WNOCKOVVHGXDRG-AWEZNQCLSA-N 383.430 -0.218 5 20 GBBD CN1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 581019122 KDKQEHFTLXHZBE-OAHLLOKOSA-N 386.430 -0.554 5 20 GBBD C[S@@](=O)CCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 609742905 WYEYMSFHBDQOSN-XMMPIXPASA-N 392.459 -0.059 5 20 GBBD O=C(OCCn1ccc([N+](=O)[O-])n1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 748102608 SBWBVULMMMVWLW-JTQLQIEISA-N 399.385 -0.500 5 20 GBBD O=C(NCCS(=O)(=O)N1CCOCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 778674109 IMHMCRSGTAQGSL-UHFFFAOYSA-N 387.370 -0.285 5 20 GBBD O=[N+]([O-])c1cccc([C@H](O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1319636774 HGQYDDRXHRCEQM-OAGGEKHMSA-N 385.442 -0.596 5 20 GBBD CCN(C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H]1CCNC1=O 1345002377 XHHOGPWWIHLSHM-CYBMUJFWSA-N 390.400 -0.625 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 1606801674 CIFIEWKHYJDXMD-UHFFFAOYSA-N 397.355 -0.323 5 20 GBBD CN1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 266140077 AODXPBGBYBMZOU-HNNXBMFYSA-N 398.441 -0.242 5 20 GBBD COCCNC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 276230269 OMRGFQYJMZJMON-UHFFFAOYSA-N 375.359 -0.578 5 20 GBBD Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] 299691962 UUSTWTHPOVKUNV-LSDHHAIUSA-N 383.426 -0.181 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 370713079 DQRAPBYAADDPNJ-ZUZCIYMTSA-N 379.377 -0.189 5 20 GBBD O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O 376663498 AUKSGIVEQYUPBH-VIFPVBQESA-N 388.789 -0.421 5 20 GBBD COC(=O)[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 487751540 AZSUGYORLGBDIL-CYBMUJFWSA-N 379.325 -0.279 5 20 GBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 517759755 VIYCBAQNHRUWHQ-NEPJUHHUSA-N 391.384 -0.298 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 561747383 NZRXVRTUODHFQL-LBPRGKRZSA-N 388.450 -0.123 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(C(N)=O)CCC1 571156047 OUVIBACDDJZUSR-UHFFFAOYSA-N 384.414 -0.013 5 20 GBBD COC(=O)[C@@H](CF)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 574937734 ULRNSRNTDBEKCV-LLVKDONJSA-N 377.350 -0.110 5 20 GBBD COc1ccc(C(=O)NCC(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 580345028 UXCWURMTGGICLO-UHFFFAOYSA-N 391.340 -0.631 5 20 GBBD CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCS(=O)(=O)C1 603595897 WKLYIKYRXYAQOV-AWEZNQCLSA-N 397.457 -0.243 5 20 GBBD CN(C)c1cc(F)c(C(=O)NCC(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 825521570 BVMJVPYYXGEJAW-UHFFFAOYSA-N 397.407 -0.022 5 20 GBBD COCCN(C)S(=O)(=O)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 857018662 RDMSEUYYAQLIBP-UHFFFAOYSA-N 389.390 -0.345 5 20 GBBD CN(C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCNC1=O 1325417029 CAELPPXMONUMAV-CQSZACIVSA-N 375.385 -0.410 5 20 GBBD CC(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403278 FBRRGSQFMHNVIV-PTEHBNRSSA-N 381.389 -0.054 5 20 GBBD COC[C@@](C)(NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)OC 268099035 FFIZUNXIJLTBGA-CQSZACIVSA-N 389.386 -0.141 5 20 GBBD C[C@H](C[S@](C)=O)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 273105137 BHTFXDHJQYSJPH-ITSYKEIMSA-N 392.459 -0.073 5 20 GBBD COc1c(F)cc(S(=O)(=O)NCCC(=O)NCC(=O)O)cc1[N+](=O)[O-] 278224859 JQEBRBBYDHPZTG-UHFFFAOYSA-N 379.322 -0.388 5 20 GBBD COC(=O)[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)OC 294031895 NZHKEKDBMXLGCT-LBPRGKRZSA-N 389.386 -0.481 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N2CC(n3cncn3)C2)c([N+](=O)[O-])c1 377554626 YCZNPSBFPAPOCP-UHFFFAOYSA-N 395.401 -0.281 5 20 GBBD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 443052680 TXSOMJSJDJWRBD-QMTHXVAHSA-N 384.414 -0.096 5 20 GBBD COCCN(C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2O)CC1=O 552106872 TVIWSGMNJPGSGF-NSHDSACASA-N 381.389 -0.396 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCCNc2ccn(C)n2)cc1[N+](=O)[O-] 574759371 KGFAYLZUFQXQCW-UHFFFAOYSA-N 376.373 0.295 5 20 GBBD N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CCN2C1=O 575882299 PNPLSQJVCARCAH-ZJUUUORDSA-N 398.397 -0.702 5 20 GBBD C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCN1S(C)(=O)=O 596478172 JNJGWMLHQDIQHS-SECBINFHSA-N 378.432 -0.288 5 20 GBBD CNc1nccc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)c1[N+](=O)[O-] 597559070 FWOUZMGNNFHJHV-UHFFFAOYSA-N 377.361 0.048 5 20 GBBD Cc1cc(C(=O)NCC(=O)NC2CN(S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] 600708968 JDNBVTSENFPISN-UHFFFAOYSA-N 399.429 -0.760 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2=NNC(=O)C2)CC1 732264568 FHVLMYDOSRSYSE-UHFFFAOYSA-N 395.397 -0.388 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 773498851 RYZJXFYUAWYPQB-CQSZACIVSA-N 397.413 -0.304 5 20 GBBD NC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)O 776443119 CUXLGOJFUAWPFI-SSDOTTSWSA-N 396.175 -0.036 5 20 GBBD NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] 848363042 AKNVHHJXNWNLOS-JTQLQIEISA-N 384.370 -0.045 5 20 GBBD O=C(N[C@@H]1CCCS(=O)(=O)C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1342117644 PYYOGZFCYIBMLL-LLVKDONJSA-N 397.409 -0.122 5 20 GBBD O=C([C@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 1840966141 RLWYWQYMCLEHDQ-HNNXBMFYSA-N 394.384 -0.345 5 20 GBBD COc1ccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)c([N+](=O)[O-])c1 26842556 UMQYFDWWJKYPNL-UHFFFAOYSA-N 379.416 -0.037 5 20 GBBD CCCc1[nH]nc(C(=O)N2CCN(CC(=O)NCCOC)CC2)c1[N+](=O)[O-] 265648465 NRFOMZASMHSPRF-UHFFFAOYSA-N 382.421 -0.209 5 20 GBBD C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)N1C 282078619 BZPUFYPMELEWKO-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)ccc1[N+](=O)[O-] 371702087 WTOUDGUWRONMGE-LBPRGKRZSA-N 375.345 -0.254 5 20 GBBD O=C(O)[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O 424365108 GIMHSPGORIBUFN-GFCCVEGCSA-N 392.411 -0.349 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@](C)(O)CN1CCOCC1 442030893 LPGDYQCIXZDQJH-KRWDZBQOSA-N 396.400 -0.259 5 20 GBBD COc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] 468991591 PWTBFNLQICOCFC-UHFFFAOYSA-N 379.416 -0.131 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C[C@@H](O)CN1CCOCC1 497049955 LXDKSLIRWCXDQN-ZIAGYGMSSA-N 398.464 -0.021 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 498188423 SRADGJFNWFXXIE-UHFFFAOYSA-N 386.434 -0.827 5 20 GBBD COC[C@@H](O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 498617203 RKDDLAOFTJLFFY-LBPRGKRZSA-N 375.403 -0.223 5 20 GBBD O=C1CO[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(C(=O)O)c3)C[C@@H]2N1 515174327 YZGRKYWTKLQPLH-JQWIXIFHSA-N 385.354 -0.429 5 20 GBBD O=C(NCCCn1ccnn1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 542303168 CFXKJUOASYIZAN-UHFFFAOYSA-N 397.417 -0.146 5 20 GBBD C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 590986057 OIXCRGDLEUMTRM-ZDUSSCGKSA-N 389.412 -0.020 5 20 GBBD COC[C@@H]1CCN1C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 592800799 OCQRKNFDXZZUBC-OBJOEFQTSA-N 399.425 -0.034 5 20 GBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)CN1CCOCC1 598907635 XWJSZSRAHRBPAK-CYBMUJFWSA-N 381.389 -0.474 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 599940209 MRULDRQOSCCCQS-QWHCGFSZSA-N 398.441 -0.459 5 20 GBBD CNS(=O)(=O)CCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 600665931 TYSXACOPWNMBQT-UHFFFAOYSA-N 379.416 -0.333 5 20 GBBD NS(=O)(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 737766776 WEXBBGAIBNMMNJ-VIFPVBQESA-N 382.406 -0.216 5 20 GBBD CCN(C(=O)COC(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CCS(=O)(=O)C1 744661909 NTIKTJJULSNFTM-LLVKDONJSA-N 388.402 -0.321 5 20 GBBD O=C1CN(C(=O)COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1 781738399 WRQVOTGZWCAVTG-UHFFFAOYSA-N 380.313 -0.063 5 20 GBBD COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 1325937170 LXIBHKXMKZGSNJ-UHFFFAOYSA-N 391.384 -0.190 5 20 GBBD O=C(NCCNC(=O)C1CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1326264470 QYLVZWPLZUDKRF-UHFFFAOYSA-N 390.400 -0.719 5 20 GBBD CO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783982962 BFVBMJRWZGVZCH-MLGOLLRUSA-N 381.389 -0.344 5 20 GBBD C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798744920 UEXQAVKEIMWCRU-ZVXAKGHKSA-N 393.400 -0.362 5 20 GBBD CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836507923 BEJRLXASOGEXJW-MEDUHNTESA-N 397.388 -0.577 5 20 GBBD O=C(c1ccnnc1O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999746 BVWUFTVRWAMBTC-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCOCC1 8633113 IDXNBQILIYIZPO-SNVBAGLBSA-N 391.336 -0.019 5 20 GBBD CC[C@H](C)[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCCN1CCOCC1 264813327 YJPBNGUIVZMLCZ-BBRMVZONSA-N 396.448 -0.229 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1cccc([N+](=O)[O-])c1 424513488 CYIXTSNDYRRZDF-CABZTGNLSA-N 399.381 -0.518 5 20 GBBD NCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 574261865 XUHNLJFURUQWKJ-ZDUSSCGKSA-N 377.401 -0.476 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H]1CN(C)CCO1 589139358 VDJCDZHGYLTIMA-GXTWGEPZSA-N 394.432 -0.210 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H](CO)CCF)c([N+](=O)[O-])c1 593864870 UADHALMMUAWSKK-SECBINFHSA-N 378.382 -0.119 5 20 GBBD CNS(=O)(=O)[C@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 596127151 TYFOWKGPJPHZED-JTQLQIEISA-N 378.432 -0.240 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 599260381 ZSVWFPWCEXNIIU-GAIPPQHRSA-N 395.397 -0.586 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)N3C[C@H](O)C[C@@H]3CO)cc2[N+](=O)[O-])CC1 611479551 RXTIVHPJWPXRMI-HUUCEWRRSA-N 392.412 -0.169 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)N1CCCC1 748490612 MRQOUMZVUSHUSF-UHFFFAOYSA-N 385.402 -0.149 5 20 GBBD C[S@](=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 771146775 NHCUWOKNLKVYIH-QHCPKHFHSA-N 376.460 -0.257 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCc2ncnn2C)cc1[N+](=O)[O-] 787970310 DUOGSLVEQJOEOO-UHFFFAOYSA-N 384.374 -0.213 5 20 GBBD Cc1nn(CC(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(=O)n1C 848846098 LGMDFEFAIACPJV-UHFFFAOYSA-N 375.341 -0.069 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1118156775 HUQRBHJTJUMZHS-CHWSQXEVSA-N 379.369 -0.364 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)O)C3)C2)n1 1783524581 ZMYXOJIMVCCBAR-DIFFPNOSSA-N 394.384 -0.177 5 20 GBBD CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215203 JITFENAGIXNTEO-QEJZJMRPSA-N 394.432 -0.667 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1796087097 QXHLHHWSVAVCEO-WRWGMCAJSA-N 392.416 -0.233 5 20 GBBD C[C@H](C(=O)NC(N)=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 15486466 OSWRQUHHYQZHTE-SNVBAGLBSA-N 399.429 -0.296 5 20 GBBD Cc1c(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 266830743 KCPPDCQWIYSKRV-GFCCVEGCSA-N 396.381 -0.430 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 275183311 WXWXCLZOEBOEKT-LBPRGKRZSA-N 392.411 -0.002 5 20 GBBD CNS(=O)(=O)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 275873436 KBFCTROFLDUXJQ-UHFFFAOYSA-N 381.388 -0.807 5 20 GBBD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 444502176 NJEUEMNRMNRJFQ-UHFFFAOYSA-N 388.384 0.177 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 503177589 MKZAKUCJZUUHNM-UHFFFAOYSA-N 387.370 -0.511 5 20 GBBD CS(=O)(=O)[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 504203685 ISUNENDACBYZJE-NSHDSACASA-N 383.382 -0.034 5 20 GBBD CN(CCOCCO)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 506094741 WKIHLCAJSRFUMX-UHFFFAOYSA-N 375.403 -0.270 5 20 GBBD COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CS(=O)(=O)CCO1 507967574 QBCFIVHDVCZXBA-SNVBAGLBSA-N 380.400 -0.305 5 20 GBBD COc1ccc(CC(=O)NCC(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 561984494 JUYXBXKAUXMBJR-UHFFFAOYSA-N 380.401 -0.290 5 20 GBBD C[C@H](CN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)O 562959265 PDGXYDZTVCVNFE-LLVKDONJSA-N 379.373 -0.183 5 20 GBBD O=C(C(=O)N1CC[C@@H](N2CCNCC2)C1)N1CCc2c(cccc2[N+](=O)[O-])C1 564827397 LCYPOSNVOBDRCF-OAHLLOKOSA-N 387.440 -0.014 5 20 GBBD COCC(=O)N1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 579277714 OQMLUWCRCMCTLN-UHFFFAOYSA-N 378.385 -0.163 5 20 GBBD O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCCN1C(=O)CNC1=O 598896441 INGRZGXABQDFJX-UHFFFAOYSA-N 378.345 -0.226 5 20 GBBD COCCNC(=O)CN1CCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)CC1 737814330 HJYFERVJYZVAJS-UHFFFAOYSA-N 394.384 -0.187 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 739698570 JUZNCOKRQHZNTM-LLVKDONJSA-N 396.429 -0.024 5 20 GBBD CCN(C(=O)COC(=O)c1ccnc(N)c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 848787277 PKGGMJHUKMITPT-SECBINFHSA-N 386.386 -0.236 5 20 GBBD CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1346399283 ANLOZZPSFHKZIV-ZDUSSCGKSA-N 398.441 -0.254 5 20 GBBD O=C(NCC1=CCN(C(=O)CCOCc2cnn[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1577993263 DBQQCXPRMMOIKK-ZIAGYGMSSA-N 378.389 -0.349 5 20 GBBD CC(C)N(CCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(=O)C(N)=O 1603325942 WWOVFBPPKJHRNN-UHFFFAOYSA-N 376.377 -0.067 5 20 GBBD CC(C)(C)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795564750 DSBBNTCXBARDRS-PTEHBNRSSA-N 394.432 -0.091 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2)c1ccc([N+](=O)[O-])[nH]1 1798743494 GIPJCKJOUBMGGE-BRMJWIMXSA-N 378.385 -0.103 5 20 GBBD O=C(CN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412950 HXMKWFQPHKYNCJ-UHFFFAOYSA-N 388.340 -0.940 5 20 GBBD O=C1NC[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 272976079 AASNBPKATHUORT-LBPRGKRZSA-N 382.398 -0.989 5 20 GBBD C[C@]1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC(=O)NC1 281741657 FDCSCCQAVCZXID-HNNXBMFYSA-N 384.414 -0.094 5 20 GBBD O=C(Nc1cccc([N+](=O)[O-])c1Cl)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 299694118 OCIYMQGDMSZVAB-QMMMGPOBSA-N 395.759 -0.644 5 20 GBBD NC(=O)c1cn(C2CN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)C2)nn1 368622854 OFDLGMGQGZUMFX-AWEZNQCLSA-N 385.340 -0.138 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 376771901 ITSBKTAPHWVXMN-GWCFXTLKSA-N 384.414 -0.007 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)NC(C)(C)[C@H](O)C(=O)OC)cc1[N+](=O)[O-] 416467414 BSMKPTUAMZWDPA-LLVKDONJSA-N 390.370 -0.028 5 20 GBBD NC[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCO1 423577371 HNJKDIQSCHZOOJ-AWEZNQCLSA-N 378.385 -0.239 5 20 GBBD O=C(C(=O)N1CC[C@H]2NCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 565298592 HWUJDKMTRIMGPT-DZGCQCFKSA-N 388.428 -0.151 5 20 GBBD CNC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CCO1 599384233 JDPHGBJBMPFOGZ-NSHDSACASA-N 388.402 -0.078 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 611365184 PQIKPNBQDBOZEX-UHFFFAOYSA-N 393.400 -0.226 5 20 GBBD COc1ccc(S(=O)(=O)NC(=O)c2cn(C)c(=O)n(C)c2=O)c([N+](=O)[O-])c1 735203206 CVMFXMZRGIVPFA-UHFFFAOYSA-N 398.353 -0.881 5 20 GBBD O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 750107652 SGAAFLWBDIZSEN-ARFHVFGLSA-N 385.442 -0.284 5 20 GBBD COCCn1cc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)ccc1=O 750762176 JNLDMJSXAZLOSH-UHFFFAOYSA-N 382.354 -0.083 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cn2ncn(C)c2=O)CC1 758291289 RIRJMZBTPIZEMP-UHFFFAOYSA-N 396.429 -0.238 5 20 GBBD O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2nc(N3CCNCC3)no2)cc1 823316147 SPEIBGLEWZBFCQ-UHFFFAOYSA-N 382.402 -0.092 5 20 GBBD CC(C)[C@@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCC[C@@H](C(N)=O)C1 919520353 PKBZFBDZSVPBAH-ZYHUDNBSSA-N 382.377 -0.522 5 20 GBBD CC(C)(O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380477 VQGOTNKFYHNHEN-INIZCTEOSA-N 381.389 -0.078 5 20 GBBD CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1830521916 WYNUKRVSHRESOH-LRDDRELGSA-N 397.388 -0.841 5 20 GBBD Cn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 53559139 WBILGUSLKZAUPI-UHFFFAOYSA-N 386.372 -0.410 5 20 GBBD COCCCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 269351872 MXXYSBNCRSVATL-UHFFFAOYSA-N 388.402 -0.181 5 20 GBBD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273423144 SOOFWUPXSCXTRK-QMTHXVAHSA-N 399.425 -0.240 5 20 GBBD NS(=O)(=O)CCOCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 288385173 ZQXFJBRSWQPMNO-UHFFFAOYSA-N 383.386 -0.185 5 20 GBBD C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC(=O)N1C 459850263 RBCZBFYBMNJWQL-ZDUSSCGKSA-N 389.412 -0.068 5 20 GBBD CS(=O)(=O)N1CCN(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])CC1 467984851 PTROXWXYQVDISB-UHFFFAOYSA-N 392.459 -0.451 5 20 GBBD COCCNS(=O)(=O)c1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 485077515 JBDLMMGSFHMDGP-UHFFFAOYSA-N 398.401 -0.573 5 20 GBBD O=C1C[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1 542638103 XQRNUXXIRCDUQB-ZWNOBZJWSA-N 382.398 -0.247 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 546800986 PBWGYKSVCVSVNI-UHFFFAOYSA-N 375.345 -0.120 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 569237615 MROVWVANIUNSOP-SRVKXCTJSA-N 379.421 -0.402 5 20 GBBD CN(C)S(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 597287782 PMKJZOMGVOVRDL-UHFFFAOYSA-N 399.429 -0.725 5 20 GBBD Cn1c(N)c(C(=O)COC(=O)c2ccc([N+](=O)[O-])c(F)c2)c(=O)n(C)c1=O 728155467 SYPNKJWTARAFHN-UHFFFAOYSA-N 380.288 -0.247 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCO[C@H](c2nn[nH]n2)C1 731855090 QOPWMIQDICVYIF-LBPRGKRZSA-N 389.328 -0.567 5 20 GBBD COCCOC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 826160095 FJSIHBHLZWTXNW-UHFFFAOYSA-N 384.374 -0.189 5 20 GBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 849395988 QHVDLUWPOODNQG-GFCCVEGCSA-N 382.391 -0.130 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-])C(=O)OC 1777104616 KSROQKOIGHMCFQ-QMMMGPOBSA-N 390.326 -0.324 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)c1cc[nH]n1 1784680517 PMAJRJRLJPPRJJ-KWBADKCTSA-N 389.372 -0.052 5 20 GBBD O=C(CN1CCN2C(=O)NC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 267839465 UBDUCCPIIBRHEP-INIZCTEOSA-N 388.428 -0.047 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)[C@@H](O)C(=O)OC 277047861 NCILQAQQASPLDS-NSHDSACASA-N 390.370 -0.028 5 20 GBBD COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 280812218 WZXZZCNGEYAADI-AWEZNQCLSA-N 376.369 -0.153 5 20 GBBD C[C@]1(C(=O)O)CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 422929692 RCWWCYCHUPWFJW-KRWDZBQOSA-N 391.384 -0.038 5 20 GBBD C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 428718278 FERYLZNOAWBHMJ-XTAFZBPGSA-N 377.357 -0.542 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCN1C(=O)CNC1=O 469141297 BRIIMWRFIRKFDT-JTQLQIEISA-N 381.393 -0.115 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 476663894 GKHJWWMCPLQMKP-NSHDSACASA-N 387.418 -0.405 5 20 GBBD COC(=O)CN(CCN1CCOCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 489154981 ITIODHHIUSEZDK-UHFFFAOYSA-N 382.373 -0.910 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 505805286 NWVIGBRALAFSNE-UHFFFAOYSA-N 390.352 -0.266 5 20 GBBD CN1CCN(C)[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 521158792 GNKWXJKNJIIOLI-AWEZNQCLSA-N 399.473 -0.375 5 20 GBBD NC(=O)CN1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 531585162 GKBZQVJKFJKMKZ-UHFFFAOYSA-N 377.401 -0.326 5 20 GBBD CN1CCNC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 570214657 ZKYHPUNBXBXQBF-CYBMUJFWSA-N 385.446 -0.717 5 20 GBBD O=C(C(=O)N1[C@H]2CCNC[C@H]1CC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 580062758 CYAIXZSTOABWRY-UKRRQHHQSA-N 388.428 -0.009 5 20 GBBD CN1CC[C@@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)S1(=O)=O 592619118 MJOLFZRBXKXBRF-LBPRGKRZSA-N 391.427 -0.481 5 20 GBBD COC(=O)[C@H](C)NC(=O)c1ccc(N2CCO[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 599188625 UYICUSNTTXFFNY-JQWIXIFHSA-N 394.384 -0.033 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@@H](O)C2)C1 599940207 MRULDRQOSCCCQS-CHWSQXEVSA-N 398.441 -0.459 5 20 GBBD CN(CC(=O)N1CCS(=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609988361 GHFQGSAOURJLNJ-UHFFFAOYSA-N 375.428 -0.194 5 20 GBBD O=C(CN1CCS(=O)(=O)CC1)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O 731511406 MEKCEGXKZWINIR-AWEZNQCLSA-N 397.409 -0.026 5 20 GBBD COC(=O)CS(=O)(=O)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 731921431 XFUPZMGUPMTYCH-UHFFFAOYSA-N 387.370 -0.336 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1F 736410335 QXBZYODUDYAQEJ-KBPBESRZSA-N 387.389 -0.039 5 20 GBBD O=C(O[C@@H]1CCNC1=O)c1ccc(C(=O)O[C@H]2CCNC2=O)c([N+](=O)[O-])c1 785310471 KQAMKXKHULTDSG-NEPJUHHUSA-N 377.309 -0.315 5 20 GBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCS(=O)(=O)N1CCOCC1 823625120 PNCGFRKREGTBSH-UHFFFAOYSA-N 384.378 -0.756 5 20 GBBD CC(=O)NCC(=O)NC1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1588846963 UXFJHZSQDATSHY-UHFFFAOYSA-N 388.388 -0.004 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)O)cc1[N+](=O)[O-] 1777110179 FVSGCQPWRPJQDI-GFCCVEGCSA-N 377.331 -0.113 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1777121723 YFZLWBFJIUMSOB-AWEZNQCLSA-N 388.354 -0.018 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21)c1ccc([N+](=O)[O-])[nH]1 1789390542 HZLXUSFZXFBJRR-OBJOEFQTSA-N 396.400 -0.475 5 20 GBBD CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844157579 WDJOSVJLIKOKBA-NSHDSACASA-N 396.360 -0.801 5 20 GBBD NC(=O)C1(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCOCC1 57009442 QLEDYZNVXNIINT-UHFFFAOYSA-N 390.352 -0.411 5 20 GBBD O=C(O)[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 275015530 QSDDLNSTSSYDEH-QMMMGPOBSA-N 375.334 -0.055 5 20 GBBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 276458562 ICHRQVCGWACTOU-ZIAGYGMSSA-N 385.398 -0.784 5 20 GBBD CCN(CCOCCO)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 297701755 DVXFMFJQKZNKCL-UHFFFAOYSA-N 395.416 -0.504 5 20 GBBD O=C(Cn1ccnn1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 426073228 AIQFQVBIKXDJAH-UHFFFAOYSA-N 380.386 -0.281 5 20 GBBD CCN1C[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 455409101 NMPSJGARFLYKFK-LLVKDONJSA-N 399.429 -0.207 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H](CO)O1 460011492 IQIJDTPWUCXFRS-CZUORRHYSA-N 392.412 -0.148 5 20 GBBD COC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 507512086 SEOLHKRAEXLTQP-CYBMUJFWSA-N 394.384 -0.473 5 20 GBBD C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 591575328 YWVYTJTWILWWSX-CJNGLKHVSA-N 391.428 -0.182 5 20 GBBD N[C@@H]1C[C@H]2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCN2C1=O 594877549 VJCQTVPIRMWURG-NWDGAFQWSA-N 389.368 -0.909 5 20 GBBD NS(=O)(=O)C[C@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 596125247 NFUYCNCHOFNYEN-VIFPVBQESA-N 378.432 -0.253 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 596747825 JZXYGILRLZKCHT-OLZOCXBDSA-N 399.429 -0.367 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCCNC(=O)C2)c(C)c([N+](=O)[O-])c1 753830725 ZPYUZVQAHNZVDE-UHFFFAOYSA-N 378.341 -0.023 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[C@@]2(CO)C1 782946901 VNACFTLCQFIXJE-ABAIWWIYSA-N 384.414 -0.103 5 20 GBBD Cn1cc(C(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])nn1 808979314 HOHMHRYWXDUOPY-UHFFFAOYSA-N 397.369 -0.037 5 20 GBBD C[C@]1([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)NC(=O)NC1=O 820613212 WSRSJQWEDYJLSV-ANRSDYALSA-N 387.360 -0.016 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(O[C@H]2CCOC2)CC1 1345351608 UKFCUCLWTLYOMK-AWEZNQCLSA-N 381.389 -0.296 5 20 GBBD COC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999760 LPNYPNGIWGZNMJ-JJLQDPRZSA-N 395.416 -0.194 5 20 GBBD Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1796608196 OGICPPJMXLYYKT-DDFAGTSDSA-N 389.372 -0.134 5 20 GBBD Cn1nc(C(=O)N2CCCC23CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)cc1O 1842191349 KUXPIPSADDFZSM-UHFFFAOYSA-N 375.345 -0.112 5 20 GBBD O=C(Cn1ccccc1=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411510 YEWDCAXHUFFXBW-UHFFFAOYSA-N 386.368 -0.003 5 20 GBBD COC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 262222894 PIRUZAAZHLUBHO-CYBMUJFWSA-N 386.430 -0.290 5 20 GBBD CNC(=O)NCC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 270545853 YPZVXBSIKLVVLA-UHFFFAOYSA-N 399.429 -0.424 5 20 GBBD CNS(=O)(=O)c1ccccc1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 281656059 ADZMFAYYPALKPD-UHFFFAOYSA-N 389.415 -0.322 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F 368984019 MPASOYPXSKYIAK-KBPBESRZSA-N 387.389 -0.039 5 20 GBBD CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 480915753 UEMATYDUEIRACB-MRVPVSSYSA-N 382.192 -0.258 5 20 GBBD NC(=O)[C@@H]1CC[C@H](C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)O1 565742909 RSKMHNUWLBGDAG-UONOGXRCSA-N 388.384 0.489 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cnc(O)c([N+](=O)[O-])c1 597643714 RAQOIURWNJKJOS-NSHDSACASA-N 382.329 -0.784 5 20 GBBD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(N)=O)C(=O)C1 841542256 DYZRYLFYRNHNIP-UHFFFAOYSA-N 390.805 -0.125 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](CO)CN1CCOCC1 847139368 JIVHBNYWHIVYMN-ZDUSSCGKSA-N 397.384 -0.396 5 20 GBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 1323428194 PENFFYFZVHZFIS-ZDUSSCGKSA-N 398.441 -0.206 5 20 GBBD O=c1c(F)cc([N+](=O)[O-])cn1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1593494408 WBDAKKYKZSTIBB-UHFFFAOYSA-N 395.332 -0.055 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cc[nH]n1 1793503960 JPXWCAAEFSPGTE-DOFRTFSJSA-N 375.345 -0.442 5 20 GBBD CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824807 VZQAELIOFDYXTA-GUYCJALGSA-N 396.400 -0.236 5 20 GBBD CC(C)[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(N)=O 264558180 UCVIQGVNKUNFCU-CYBMUJFWSA-N 387.418 -0.330 5 20 GBBD O=C(NCCCN1C(=O)CNC1=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 264582029 YFMQOXVIVNSGBX-GXTWGEPZSA-N 395.372 -0.770 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 267736085 UZWBSORKOUJXQT-CQSZACIVSA-N 381.385 -0.062 5 20 GBBD O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1 267961478 SURLRPDWWGTIDL-UHFFFAOYSA-N 378.385 -0.083 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 272395962 MAWIVDHIKBNZKZ-OLZOCXBDSA-N 385.398 -0.472 5 20 GBBD COc1cc(CCNC(=O)NCCN2CCNC(=O)C2)c([N+](=O)[O-])cc1OC 273024164 UGAMFFHQJBNWBF-UHFFFAOYSA-N 395.416 -0.115 5 20 GBBD C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCF 282150220 WWBOVVGFFFQFPO-SNVBAGLBSA-N 390.393 -0.194 5 20 GBBD O=C(CN1C(=O)c2cc([N+](=O)[O-])ccc2S1(=O)=O)NCC(=O)N1CCCC1 289503418 KXLXEOPVZIKQHI-UHFFFAOYSA-N 396.381 -0.522 5 20 GBBD C[C@@H](O)CN(CCO)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 291086405 IUPPTFLEMXRTBD-GFCCVEGCSA-N 389.430 -0.205 5 20 GBBD O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)NC2CC2)CC1 475546976 KOCZHRIAMODEQG-UHFFFAOYSA-N 390.443 -0.102 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C[C@H]12 489567669 HZNOGWHBWXLRIK-CYBMUJFWSA-N 389.368 -0.192 5 20 GBBD CCN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)NC1=O 503620694 UKTPLLCEAJFYEJ-GFCCVEGCSA-N 398.397 -0.473 5 20 GBBD CCNC(=O)CN1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 513335110 BYALXQNXVLDWAC-UHFFFAOYSA-N 398.441 -0.108 5 20 GBBD CCn1cc(S(=O)(=O)N(C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])n1 533176632 PLJJKUNZJHOTKC-LLVKDONJSA-N 377.423 -0.875 5 20 GBBD Cc1nc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)cn1C 549224204 WLQLFJMBDJHMET-UHFFFAOYSA-N 383.390 -0.493 5 20 GBBD CN1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 581019121 KDKQEHFTLXHZBE-HNNXBMFYSA-N 386.430 -0.554 5 20 GBBD CN(C)C(=O)CN1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 587005698 OSDYAJYSCQMPPD-UHFFFAOYSA-N 376.417 -0.005 5 20 GBBD COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)Cn1ccc([N+](=O)[O-])n1 600013069 VBZCSTFAFHLLLI-NXEZZACHSA-N 385.402 -0.239 5 20 GBBD CCn1nc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O 609502346 YDZDOMJJXATAAV-UHFFFAOYSA-N 395.397 -0.120 5 20 GBBD NS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 726372126 LHKOFKOUIDUCTQ-UHFFFAOYSA-N 399.429 -0.607 5 20 GBBD CN(C)C(=O)c1cccc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 734974264 ZTTNYFPAFLUVBM-UHFFFAOYSA-N 381.370 -0.002 5 20 GBBD COCC1(S(=O)(=O)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 811156764 QCPCKHUCEKNKTG-UHFFFAOYSA-N 397.365 -0.184 5 20 GBBD O=C(Cn1nc2n(c1=O)CCCC2)NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 850885483 GFQASILAKNHCJD-UHFFFAOYSA-N 399.360 -0.067 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 854833416 ROHXMFMDJIEUIV-UHFFFAOYSA-N 380.408 -0.952 5 20 GBBD CN(CCCO)C1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1117561684 CNVICETXNVZIFN-UHFFFAOYSA-N 382.421 -0.787 5 20 GBBD O=C(NC[C@@H]1COCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1322301321 FXYFVKKAGHXJEB-OAHLLOKOSA-N 378.385 -0.225 5 20 GBBD CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795722011 KWDKVBGSILLVDS-FAXLKDOZSA-N 394.432 -0.621 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 266422244 OZZMFOQKEMUUHE-UHFFFAOYSA-N 384.374 -0.547 5 20 GBBD CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(N)=O)CC1 267132904 WEAZSIZFPLYLNT-UHFFFAOYSA-N 387.418 -0.616 5 20 GBBD CCS(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 269266644 DLYCYYXQLYAPPJ-UHFFFAOYSA-N 384.414 -0.182 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 276063105 BZQKKQFUOAVHPE-MRVPVSSYSA-N 378.384 -0.153 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 298817758 ZJKLROLRRGPCNV-UHFFFAOYSA-N 398.376 -0.142 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCc1nc(O)n[nH]1 478814946 TUMXRCLKFKLCOI-UHFFFAOYSA-N 376.329 -0.107 5 20 GBBD CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 480915754 UEMATYDUEIRACB-QMMMGPOBSA-N 382.192 -0.258 5 20 GBBD CN(C)C[C@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 588865181 XZYFEAALBLBPNZ-SNVBAGLBSA-N 389.434 -0.917 5 20 GBBD O=C(C(=O)N1CC[C@H]2CCN[C@@H]2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 591582408 HEVINRBVLLXTHJ-ZIAGYGMSSA-N 388.428 -0.151 5 20 GBBD COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 592910548 AGJPVMSAXNRLEL-TZMCWYRMSA-N 394.384 -0.224 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 603931702 DZVVBPDBUPGLGP-UHFFFAOYSA-N 393.447 -0.829 5 20 GBBD O=C(CCCN1C(=O)CNC1=O)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 781843866 JPDNOSRFECYZQW-UHFFFAOYSA-N 388.333 -0.129 5 20 GBBD CO[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@H]1O 829133730 XLCQBMNYAWBVCB-ZIAGYGMSSA-N 387.414 -0.188 5 20 GBBD CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 1119660881 BDFGJQZLNRIQFU-UHFFFAOYSA-N 384.414 -0.295 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@](O)(C(=O)O)C1 1777128535 KJGORVQNPPCVRL-AWEZNQCLSA-N 388.354 -0.018 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1780415903 KAHKAAKNDRQCKB-YVEFUNNKSA-N 375.385 -0.106 5 20 GBBD NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783149677 OTQKYTXUTFHAQW-HNNXBMFYSA-N 380.361 -0.973 5 20 GBBD CCC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1790814143 JRYXLMPTXWKEOY-WHOFXGATSA-N 393.400 -0.250 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401849 OGZFRNMDSSVVJV-ILWJIGKKSA-N 375.345 -0.442 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842840322 LNYQYQITECHJDG-UHFFFAOYSA-N 392.416 -0.143 5 20 GBBD O=C(CN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1)NC1CC1 28025990 ICHDUJCGRJLGGT-UHFFFAOYSA-N 389.412 -0.253 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCNC1=O 458016995 OQSIURURLIXFRC-LBPRGKRZSA-N 385.402 -0.549 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1CS(=O)(=O)CCO1 509621564 XSCNPGCNVFFNBO-NSHDSACASA-N 399.381 -0.750 5 20 GBBD NC(=O)N1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 537729768 IOGYWEQTHDXORG-UHFFFAOYSA-N 385.402 -0.514 5 20 GBBD Cn1[nH]cnc1=NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 540225812 JUOFLYUKIZYWKD-UHFFFAOYSA-N 395.401 -0.316 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCCN1C(=O)CNC1=O 733402720 FSDUVYXVCIPVFZ-UHFFFAOYSA-N 392.324 -0.195 5 20 GBBD CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br 809838453 YNAIJZJEUBSTPU-QMMMGPOBSA-N 382.192 -0.258 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c1-c1nn[nH]n1 826499894 DAEQTNAPJKLMFJ-SSDOTTSWSA-N 382.280 -0.024 5 20 GBBD CN(C(=O)CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 1117538913 JGVUWHQXAHXCLG-UHFFFAOYSA-N 380.405 -0.185 5 20 GBBD CN(C)S(=O)(=O)NCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1261674867 KJQDSGNPSDRFDR-UHFFFAOYSA-N 385.446 -0.365 5 20 GBBD C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1789876497 DOHAQRHFVLEADJ-UHXUPSOCSA-N 394.384 -0.084 5 20 GBBD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793390978 FQZANQFMYKRUJV-BYNIDDHOSA-N 395.416 -0.072 5 20 GBBD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1)C(O)O 1814707513 RWRCOIGQZWRBKK-LLVKDONJSA-N 393.360 -0.483 5 20 GBBD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc[nH]c1[N+](=O)[O-] 1847817235 GMICFYOYVKUKLW-DCAQKATOSA-N 399.429 -0.186 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1 20556338 MJFSUPVADVXDEE-UHFFFAOYSA-N 386.430 -0.288 5 20 GBBD CN(CC(=O)N1CCC[C@H](C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 265628908 MIRLAVMNDXVAST-NSHDSACASA-N 384.414 -0.061 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(Cc3nc(=O)[nH][nH]3)CC2)c([N+](=O)[O-])c1 271639715 RAERHBHHQUGLEK-UHFFFAOYSA-N 382.402 -0.268 5 20 GBBD CC(=O)N1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 276380118 WNNSZZGEXVBUJP-UHFFFAOYSA-N 396.425 -0.094 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 277592389 NQCIOTAQLUHACB-KGLIPLIRSA-N 399.425 -0.169 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(=O)(=O)N(C)C 289665633 WIPIVIFAYQPLNK-UHFFFAOYSA-N 395.415 -0.449 5 20 GBBD CN1C(=O)CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 425087857 LPRHUZPXEBIBCP-GFCCVEGCSA-N 398.397 -0.473 5 20 GBBD NC(=O)[C@]1(O)CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 471105265 VICRYQJDDFGQMO-INIZCTEOSA-N 378.341 -0.268 5 20 GBBD Cc1[nH]nc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] 500850149 ZSGFRIUKIZSURV-NSHDSACASA-N 387.418 -0.107 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1C(=O)CCC1=O 505946491 JLHHBHWSVPNSDK-UHFFFAOYSA-N 398.397 -0.472 5 20 GBBD NC(=O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 520024585 JGAHVXUQRHGYGD-LLVKDONJSA-N 399.429 -0.220 5 20 GBBD CNS(=O)(=O)C1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 555230956 QSUUDAKDHCLHRJ-UHFFFAOYSA-N 378.432 -0.240 5 20 GBBD COCCNC(=O)CNS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1C 568006786 REWAQTVOOVFFCF-UHFFFAOYSA-N 375.359 -0.358 5 20 GBBD Cc1nn(CCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c(C)c1[N+](=O)[O-] 597739043 WPLRJQCYGARSIE-LBPRGKRZSA-N 388.450 -0.028 5 20 GBBD CCOC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 821315021 OSVHNJHIUIHZPS-UHFFFAOYSA-N 375.345 -0.013 5 20 GBBD COC(=O)N(C)CC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861406551 HTAFFYYHQNKRII-UHFFFAOYSA-N 375.359 -0.197 5 20 GBBD CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 1325570877 MKLLAUKIMNHSIQ-UHFFFAOYSA-N 396.404 -0.013 5 20 GBBD CCN(CCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1590698294 GTOQQNDCHQAKID-ZYHUDNBSSA-N 376.377 -0.172 5 20 GBBD O=C(Cn1cccn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380709 ZYAKORANPUGQCT-MRXNPFEDSA-N 389.372 -0.342 5 20 GBBD O=C(CN1CCOCC1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999464 WBFRMDJAJOQSFU-UHFFFAOYSA-N 392.416 -0.673 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843718372 GUTPRXKQLRSLKM-UHFFFAOYSA-N 397.355 -0.114 5 20 GBBD COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O 18579943 JZKBQEFEPOSAFQ-UHFFFAOYSA-N 378.297 -0.365 5 20 GBBD C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCNC1=O 21664877 YEJIFVYKLWIGFP-QMMMGPOBSA-N 390.308 -0.326 5 20 GBBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 272524882 WEQCHHGPJDNWOP-UHFFFAOYSA-N 377.401 -0.206 5 20 GBBD COc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] 272814034 CCFHPWVASAYJQI-UHFFFAOYSA-N 380.357 -0.093 5 20 GBBD O=C1[C@H]2[C@@H](O)CCCN2C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 349416288 HLXIRPYMBIGXAT-WCQYABFASA-N 398.397 -0.339 5 20 GBBD COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c([N+](=O)[O-])c1 424366201 IRPOTFHMBVLXAW-LLVKDONJSA-N 394.383 -0.524 5 20 GBBD C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1O)C(=O)NC[C@@H]1CCS(=O)(=O)C1 513336687 UFVUNIZFYZNREI-IUCAKERBSA-N 386.386 -0.635 5 20 GBBD O=C(CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCOCC1 540667344 JKZRCFOZNSCPCW-UHFFFAOYSA-N 378.389 -0.320 5 20 GBBD C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H]1CO 577705831 NIIBUDLEYFDFHQ-JSGCOSHPSA-N 377.401 -0.132 5 20 GBBD NC(=O)c1ccc(N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)nc1 594746936 AAMLAFLQQXSWDE-UHFFFAOYSA-N 392.397 -0.005 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 594820918 DEJZRLXYQUIGDS-STQMWFEESA-N 378.428 -0.131 5 20 GBBD CN[C@H](C)CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1325746270 QAWNAFACKARICK-CYBMUJFWSA-N 391.428 -0.007 5 20 GBBD CCC[C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1CCOC 1327323537 SOHQZHIDFCZYEF-CQSZACIVSA-N 396.448 -0.133 5 20 GBBD CN1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1=O 1579347699 KPASWLSWGHGSEH-SECBINFHSA-N 395.401 -0.078 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1 16520661 HBAJKEQYJCDEGI-NSHDSACASA-N 399.429 -0.207 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 264048006 LMFYAQKIKAAWQU-YPMHNXCESA-N 385.398 -0.472 5 20 GBBD COCCCS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 269267883 CKPLVNCLHQOJKN-UHFFFAOYSA-N 387.418 -0.423 5 20 GBBD C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 270886538 OIJRZNNMYHLCFI-SNVBAGLBSA-N 380.357 -0.213 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 274147419 XVSUKVNPKOHOEH-JTQLQIEISA-N 378.384 -0.445 5 20 GBBD CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 416450484 MSMWYWQOPHYYEU-SNVBAGLBSA-N 376.343 -0.416 5 20 GBBD COC(=O)[C@H]1CNC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 447931574 PNQLVWLAWMJIRW-LLVKDONJSA-N 394.365 -0.195 5 20 GBBD NS(=O)(=O)CCN1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 449990896 KMAKCIWIJJISMD-UHFFFAOYSA-N 398.441 -0.010 5 20 GBBD Cn1[nH]cnc1=NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 475297476 XBOOERTWWJYXJO-GFCCVEGCSA-N 380.386 -0.063 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCN3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 485220327 QTPAMSOLHFWSER-LBPRGKRZSA-N 383.386 -0.415 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](O)Cn1ccnn1 521900702 VFVRAZWNHPHQAZ-SNVBAGLBSA-N 385.358 -0.688 5 20 GBBD CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 536378443 NPFGMMVSVIJYIS-GFCCVEGCSA-N 386.430 -0.618 5 20 GBBD CNc1nccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1[N+](=O)[O-] 579851696 SFVCJAOBWQLMJZ-UHFFFAOYSA-N 378.433 0.562 5 20 GBBD O=C([C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(O)(CO)C1 597706645 ZVLRSYUXDZKUCO-CQSZACIVSA-N 399.425 -0.296 5 20 GBBD CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 600017534 WHEQHLZQHIXDEY-NSHDSACASA-N 395.372 -0.302 5 20 GBBD CNC(=O)C1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 609264480 HZQYDOHDDLZEON-UHFFFAOYSA-N 384.414 -0.094 5 20 GBBD Cn1nccc1S(=O)(=O)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 765649122 KJZJZRXYNZSMTC-UHFFFAOYSA-N 393.337 -0.571 5 20 GBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 813946797 NDVKUCDWELVFGO-UHFFFAOYSA-N 388.406 -0.985 5 20 GBBD Nc1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] 823961357 CYHONRRXMCJHHV-UHFFFAOYSA-N 375.349 -0.460 5 20 GBBD COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 852963755 FTCYFFQZUFYNOF-MRVPVSSYSA-N 388.354 -0.167 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 863349011 WYWPHGUROJBSOW-AWEZNQCLSA-N 397.413 -0.128 5 20 GBBD CC(=O)NCCNC(=O)CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1322241012 DSEOJPPFJJCNBC-UHFFFAOYSA-N 380.405 -0.013 5 20 GBBD CS(=O)(=O)CCN1CCC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 1325840969 RMQXIQYRGOVXKJ-CQSZACIVSA-N 375.451 -0.749 5 20 GBBD CCONC(=O)CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1326702932 POKMJRAMPHOBHD-UHFFFAOYSA-N 379.373 -0.573 5 20 GBBD COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CCO1 1327789848 BAIAPCLYTFWFMR-ZDUSSCGKSA-N 381.341 -0.380 5 20 GBBD C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1576374353 IAVCUGCAPWLIMD-WCBMZHEXSA-N 384.374 -0.455 5 20 GBBD COCCOCCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1591438896 HSPLTTKJJYOCBY-UHFFFAOYSA-N 378.393 -0.045 5 20 GBBD CCN(CCO)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 1609224480 CURIOPSSNNDZLK-UHFFFAOYSA-N 385.406 -0.633 5 20 GBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350214 RQXAVRZFXRQEQA-LBPRGKRZSA-N 377.401 -0.288 5 20 GBBD CN1CC[C@H](N(C)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 265687566 WZCOUKPQGSKDCX-ZDUSSCGKSA-N 384.414 -0.096 5 20 GBBD CNC(=O)CN1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 272769412 HDTRRPSHOLDOOH-OAHLLOKOSA-N 375.385 -0.022 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)N[C@]2(CO)CCOC2)c([N+](=O)[O-])c1 273370176 CIVANJNDTQQFHR-AWEZNQCLSA-N 388.402 -0.688 5 20 GBBD CN1CCN(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 275832530 CNURZIODHPHTQJ-UHFFFAOYSA-N 386.430 -0.108 5 20 GBBD NS(=O)(=O)CCOCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 288833592 CNJHQUQRTNALRI-UHFFFAOYSA-N 387.823 -0.168 5 20 GBBD COc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)ccc1[N+](=O)[O-] 424365135 GJVKERIEGSUZAZ-NSHDSACASA-N 394.383 -0.524 5 20 GBBD C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1C 507216432 ZCDSZADHVCGMIY-LLVKDONJSA-N 399.429 -0.255 5 20 GBBD COC(=O)CNC(=O)c1ccc(N2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 534396402 UQELTAMTTXXGSP-SNVBAGLBSA-N 386.386 -0.635 5 20 GBBD C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)S(N)(=O)=O 543815649 KMNDYZYCKRNCAM-NSHDSACASA-N 399.429 -0.963 5 20 GBBD Cc1c(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cccc1[N+](=O)[O-] 580215559 LWYASZWRADEVLC-STQMWFEESA-N 375.385 -0.710 5 20 GBBD COCC[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 582095485 SSKRXSRUPCFISN-LBPRGKRZSA-N 389.386 -0.131 5 20 GBBD COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 600321517 SQDPKGCUYPXLNP-ZYHUDNBSSA-N 381.341 -0.290 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 608961720 ARMYIHXCPDNECD-UHFFFAOYSA-N 389.328 -0.705 5 20 GBBD CN(CC(=O)N1CCO[C@H](C(=O)O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 610891663 COWUAPIDRPZCRR-LBPRGKRZSA-N 387.370 -0.473 5 20 GBBD O=C(C(=O)N1CCn2ncnc2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 839211076 IILUAUCBQVYJJS-UHFFFAOYSA-N 385.384 -0.123 5 20 GBBD Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)c1[N+](=O)[O-] 1329389028 OACYLYWTTBHNRA-NEPJUHHUSA-N 377.405 -0.013 5 20 GBBD CN(CCCN)C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1330594586 MZQKRNUMZKOFEM-UHFFFAOYSA-N 377.401 -0.314 5 20 GBBD NS(=O)(=O)CCN1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1592746547 KHTPBYQFKKOMQO-UHFFFAOYSA-N 382.406 -0.815 5 20 GBBD O=C(Cc1nc[nH]n1)N1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1592933815 MHQNRMDSPPKVTL-UHFFFAOYSA-N 384.360 -0.216 5 20 GBBD CC(C)[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779378003 ABAFVLVWXCEKRR-CJNGLKHVSA-N 381.389 -0.222 5 20 GBBD O=C(c1ncc[nH]1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382886 HITOKDSLBPNTOR-HNNXBMFYSA-N 375.345 -0.202 5 20 GBBD O=C(c1cccnn1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779461968 ZUTHRSCYYPCPQI-MRXNPFEDSA-N 387.356 -0.135 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781042305 SSLHCLIWMYCSIA-NVGCLXPQSA-N 394.384 -0.646 5 20 GBBD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1795529303 ZYSFCWACUGIQNC-DPIQGUFMSA-N 380.376 -0.175 5 20 GBBD COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401497 KHRPHBVYAHJBBW-DDFAGTSDSA-N 395.372 -0.526 5 20 GBBD CC(C)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796401539 LRZSJFQFFXCYOE-DABQJJPHSA-N 394.432 -0.091 5 20 GBBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836630886 BJEVDCRDTPSNRI-UHFFFAOYSA-N 396.400 -0.154 5 20 GBBD CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839830340 GROASUCYHHHESL-INIZCTEOSA-N 395.372 -0.633 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842825097 ZAFQPSJCWNHHCR-UHFFFAOYSA-N 378.389 -0.533 5 20 GBBD O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846458932 GXUWJNJXJNEEEJ-UHFFFAOYSA-N 388.336 -0.070 5 20 GBBD Cn1c(=O)c2c(ncn2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n(C)c1=O 23674500 KOMFZCNLURDTGR-LLVKDONJSA-N 375.341 -0.218 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O 32417190 XHBYAOFREOIRIS-UHFFFAOYSA-N 384.370 -0.034 5 20 GBBD O=C(CN1CCCNC1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 66322916 MGWNJHWMMGGHII-UHFFFAOYSA-N 385.402 -0.595 5 20 GBBD CCCc1[nH]nc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1[N+](=O)[O-] 265714379 WMTXZPOEZYPUSH-LBPRGKRZSA-N 394.432 -0.067 5 20 GBBD CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 288987374 YFPLANVYOXJELO-UHFFFAOYSA-N 377.401 -0.162 5 20 GBBD CCOC[C@@H](O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 434443186 VKYAFYUUYRATLW-LBPRGKRZSA-N 375.403 -0.223 5 20 GBBD O=C(C(=O)N1C[C@@H](CO)[C@@H](O)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 460010659 HHKAXPOLBOREPL-WFASDCNBSA-N 378.385 -0.945 5 20 GBBD O=C1NC(=O)N2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 490849874 BUYQFTVDVQNMQP-NSHDSACASA-N 376.325 -0.329 5 20 GBBD O=C(C(=O)N1C[C@@H]2CNCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 574868565 BTJOHTYHWWVJAX-KBPBESRZSA-N 388.428 -0.294 5 20 GBBD CN(CCOCCN)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 599909506 CZKLMDJCVLGUQA-UHFFFAOYSA-N 389.434 -0.510 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(CC(=O)NCCO)cc2)n1 600646110 VXKNSLJLZVDUJI-UHFFFAOYSA-N 383.386 -0.220 5 20 GBBD O=C(CCCN1C(=O)CNC1=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 732621286 LPSWTXPKBGKXSM-UHFFFAOYSA-N 376.372 -0.207 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)CCN2C(=O)CCC2=O)ccc1[N+](=O)[O-] 761430432 XXGKJHBSUDDTRO-UHFFFAOYSA-N 385.354 -0.053 5 20 GBBD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCCn1ccc([N+](=O)[O-])n1 786365203 GYJQFGIPEWJJRG-MHWZDGSBSA-N 378.341 -0.113 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2ccnn2)c1-c1nn[nH]n1 826500243 PQLSJRDDLQOVPO-UHFFFAOYSA-N 379.362 -0.265 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 839756306 VGXWTJVYXIISRA-UHFFFAOYSA-N 376.366 -0.279 5 20 GBBD O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCNCC1 1118198082 GJMHEMYAZSWAPK-UHFFFAOYSA-N 397.457 -0.667 5 20 GBBD Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1320679781 VBQLUFVCWYFZCB-UHFFFAOYSA-N 383.430 -0.093 5 20 GBBD C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 1326620711 WLKBBYLMTALIEO-ZYHUDNBSSA-N 384.414 -0.078 5 20 GBBD O=C(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CCC(O)(CO)CC1 1328250194 QOSUWQOUGFFKHE-UHFFFAOYSA-N 379.369 -0.470 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796401490 ISQQUVAIUBLAQW-JGPRNRPPSA-N 387.356 -0.375 5 20 GBBD NCC(=O)N1CCC(OC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1837837185 VTLGARYNZDTCCR-UHFFFAOYSA-N 380.405 -0.111 5 20 GBBD CC(=O)NCC(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 50031767 NYDFEOIYTZLMAZ-UHFFFAOYSA-N 397.413 -0.807 5 20 GBBD CCOCCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265261227 CTJORCDYVUKQMR-UHFFFAOYSA-N 381.432 -0.171 5 20 GBBD CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 293812023 PXWMOCBGAJFPRG-ZDUSSCGKSA-N 384.414 -0.183 5 20 GBBD COCCS(=O)(=O)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 294629593 RXJRMPQIMUDFMQ-UHFFFAOYSA-N 399.425 -0.060 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 298782642 JGPFWBHWLSFJRR-UHFFFAOYSA-N 394.413 -0.140 5 20 GBBD Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 411637253 FRSFZLJLUDFVGS-UHFFFAOYSA-N 377.357 -0.694 5 20 GBBD O=C(C(=O)N1CC[C@H](N2CCNCC2)C1)N1CCc2ccc([N+](=O)[O-])cc2C1 423302404 HKAJTBBLTLUHCD-KRWDZBQOSA-N 387.440 -0.014 5 20 GBBD O=C(N[C@@H]1CC[C@H]1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 425064236 ZGEDOIOCJCDZOR-VCDKRKBESA-N 385.398 -0.642 5 20 GBBD COC[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 484435304 IDTKFRTVTIQHIS-GFCCVEGCSA-N 389.386 -0.481 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)N[C@H]2CCNC2=O)c([N+](=O)[O-])c1 595658658 GUJWSCWDAPYFBC-NSHDSACASA-N 385.402 -0.402 5 20 GBBD COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599421446 NCDCCWKFJORYHG-BDAKNGLRSA-N 390.374 -0.556 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[C@H](O)C2)C1 599939236 UAWZTODHLLSREB-KBPBESRZSA-N 390.396 -0.012 5 20 GBBD O=C(O)[C@@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 615778628 QKELUZGDCFJLIT-RYUDHWBXSA-N 387.370 -0.379 5 20 GBBD COCCN1C[C@H](C(=O)NS(=O)(=O)c2cc([N+](=O)[O-])cs2)CC1=O 732619882 AYYHZSGYNDGLRG-MRVPVSSYSA-N 377.400 -0.044 5 20 GBBD C[C@H](OC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCC[C@H](C(N)=O)C1 748910946 KCSGVKHNTFBGIJ-QWRGUYRKSA-N 380.357 -0.588 5 20 GBBD O=C(O[C@H]1CCNC1=O)c1ccc(C(=O)O[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 785310472 KQAMKXKHULTDSG-NWDGAFQWSA-N 377.309 -0.315 5 20 GBBD O=C1NC[C@@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)CCN2C1=O 848584742 GZFYBZKBYZFLOU-SNVBAGLBSA-N 384.295 -0.264 5 20 GBBD C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1322922490 KKJHYKQPBIKAOG-NSHDSACASA-N 387.414 -0.019 5 20 GBBD CN(C)S(=O)(=O)N1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1591023720 XXTFEGRKWRXAQG-UHFFFAOYSA-N 382.406 -0.297 5 20 GBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)C1 1802012093 QRPGIDCEKNOIOT-PEGIJTEDSA-N 377.357 -0.500 5 20 GBBD CN1CCN(CC(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CC1 1843914900 HJOIFGVZLMOIIH-UHFFFAOYSA-N 391.432 -0.618 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1)N1CCOCC1 54134361 HLOGPEDGYCDUAR-UHFFFAOYSA-N 394.359 -0.123 5 20 GBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2COCCN2)CC1 262622912 JFWFJGUFSHTOKM-AWEZNQCLSA-N 398.441 -0.275 5 20 GBBD O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOC[C@@H](O)C1 295757549 BRUCSQYJTGWAQV-DZGCQCFKSA-N 399.425 -0.032 5 20 GBBD COc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1[N+](=O)[O-] 442266216 JOYIIYUFISLNPX-NSHDSACASA-N 380.357 -0.359 5 20 GBBD NC(=O)[C@H]1CC[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)O1 470225793 GIQCGULBTFOGIX-GXFFZTMASA-N 378.341 -0.531 5 20 GBBD O=C(C1CCC1)N1CCN(CCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 562993369 FBODONUBVDCTKX-MRXNPFEDSA-N 380.449 -0.314 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 581946868 FQZLNEBTFAGLBL-VIFPVBQESA-N 396.381 -0.659 5 20 GBBD COC(=O)C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 600460676 XFHDEEHJUBXHAQ-VIFPVBQESA-N 396.385 -0.077 5 20 GBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C 619875887 UYZPFAPPSORHMI-JTQLQIEISA-N 383.361 -0.843 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H](CN)C1 817989396 KBGKTOCIVKZZGV-MRXNPFEDSA-N 390.444 -0.655 5 20 GBBD CN1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O 826033608 IHABOEPSMDJYGB-QMMMGPOBSA-N 381.374 -0.326 5 20 GBBD O=C(c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC(=O)N(CCCO)C2=O)CC1 840740756 ACTZIIVQMAPUFL-OAHLLOKOSA-N 390.396 -0.138 5 20 GBBD Cc1cc(S(=O)(=O)N2CCC(NS(N)(=O)=O)CC2)cc([N+](=O)[O-])c1F 859371350 PTNCAAHJNMGKLT-UHFFFAOYSA-N 396.422 -0.011 5 20 GBBD O=C(C(=O)N(CCO)C1CC1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1325606110 UTDSYXVITVQOSU-UHFFFAOYSA-N 390.396 -0.138 5 20 GBBD O=C(O)c1ccc([N+](=O)[O-])c(N2CCN(CC(=O)N3CCOCC3)CC2)n1 1602404596 UUMRCLXYADZLNM-UHFFFAOYSA-N 379.373 -0.331 5 20 GBBD NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1795525844 XHAIOVDPTLJAOW-DRXBFXEBSA-N 390.396 -0.308 5 20 GBBD CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800533959 YWSBFXOZHNXZDN-MGAJZRQESA-N 394.388 -0.954 5 20 GBBD CC[C@]1(C)NC(=O)N(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1=O 18956420 MSPWRGRIFVHSPC-INIZCTEOSA-N 389.324 -0.058 5 20 GBBD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCCn1cc([N+](=O)[O-])cn1 178196125 GXTAGYSQQQUGRZ-UHFFFAOYSA-N 398.379 -0.021 5 20 GBBD O=[N+]([O-])c1ccn(CCN2CCN(CCn3ccc([N+](=O)[O-])n3)CC(O)C2)n1 366933266 SZMZHVWLYMIBBR-UHFFFAOYSA-N 394.392 -0.425 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2CNC[C@@H]21 417675791 CVZZTNNFVFGDLB-YPMHNXCESA-N 383.430 -0.124 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@](C)(O)CN1CCOCC1 467488916 YIGAEXIPPOVLAR-ACJLOTCBSA-N 394.428 -0.088 5 20 GBBD Cn1cc(C[C@@H](O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 469558575 MRVMBQJCGYPBTN-CQSZACIVSA-N 382.398 -0.178 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 481775155 HBESRASNHNLFIO-LBPRGKRZSA-N 388.384 -0.339 5 20 GBBD C[C@H]1COCCN1CCNC(=O)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 502841848 IVYROSILNUVLNF-NSHDSACASA-N 390.400 -0.076 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)CCOC1 535122020 OWZIMDBEBRNRRH-AWEZNQCLSA-N 388.402 -0.676 5 20 GBBD O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 596797721 OXFQYOAKXUOYTR-JTNHKYCSSA-N 397.409 -0.647 5 20 GBBD CN(C(=O)COC(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc([N+](=O)[O-])cc1 735152707 GGXTUWKHWMVQTM-UHFFFAOYSA-N 376.325 -0.188 5 20 GBBD O=C1OC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 823551649 YNYANKYHTNGXTI-QMMMGPOBSA-N 395.357 -0.400 5 20 GBBD CN1CCN(C)[C@H](CNC(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1322696313 VPQAVUFTYCAQAN-CQSZACIVSA-N 391.428 -0.454 5 20 GBBD C[C@@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCCC[C@H]1C 1323905140 KLCLPCSPRNYUQY-VXGBXAGGSA-N 380.405 -0.187 5 20 GBBD Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C2=O)cn1 1324915739 OAONOOPEAWEBFW-CQSZACIVSA-N 386.368 -0.134 5 20 GBBD CCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786499929 FLHYQYKGGYMMOB-GVXVVHGQSA-N 381.389 -0.052 5 20 GBBD O=C1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2nc[nH]c2[N+](=O)[O-])C3)N1 1795822945 GHKHADIRTAMNEM-LMLFDSFASA-N 376.373 -0.152 5 20 GBBD NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F 1799491943 UTNNBXQDQGMABM-OWLDWWDNSA-N 395.391 -0.777 5 20 GBBD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CCN1 1842000841 UQPGWIHQANEPBI-LBPRGKRZSA-N 390.400 -0.479 5 20 GBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1 265526477 SWDCRXGJPPXOKW-UHFFFAOYSA-N 378.432 -0.333 5 20 GBBD NC(=O)OCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 273017975 BVKVADQPCBSZOJ-LBPRGKRZSA-N 386.386 -0.041 5 20 GBBD Cc1c(C(=O)N2CCN([C@H]3CCNC3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 289363233 ZLFNXLIRAOZINR-LBPRGKRZSA-N 397.457 -0.330 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 461643952 XLZLMHJVNDTFDL-UHFFFAOYSA-N 392.821 -0.014 5 20 GBBD CS(=O)(=O)N1CC(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 591761374 FQUAUPBCAGDGCR-UHFFFAOYSA-N 377.444 -0.151 5 20 GBBD CN1C(=O)C[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 594355440 CGWACLDOUBWMBH-LLVKDONJSA-N 384.370 -0.863 5 20 GBBD COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594766478 CHGIFJLVTXIXKY-JTQLQIEISA-N 388.402 -0.028 5 20 GBBD COCCNS(=O)(=O)c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 600807816 WQAFPECAVUCDQW-UHFFFAOYSA-N 384.374 -0.250 5 20 GBBD CCOC(=O)c1cccc(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 781648764 NXQVVNAJTSBPNR-UHFFFAOYSA-N 383.342 -0.132 5 20 GBBD Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)N1CCOCC1 801863384 YCHNEEOAIVUJOM-UHFFFAOYSA-N 376.366 -0.292 5 20 GBBD CNc1nccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 848791589 VIEOLNUWIXFWMR-RKDXNWHRSA-N 386.386 -0.120 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)c1ccc([N+](=O)[O-])cc1F 1790028037 NKLYVUKADXLUAI-WFBYXXMGSA-N 397.359 -0.362 5 20 GBBD Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1798659572 YRSNEVCJLSOXLK-DDFAGTSDSA-N 389.372 -0.134 5 20 GBBD CNS(=O)(=O)c1ccc(N(C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 267551009 RQWGARHQCZBMQB-GFCCVEGCSA-N 388.446 -0.368 5 20 GBBD O=C(Cn1cnnn1)N1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 272445339 PVWVMTMRXGXYJX-UHFFFAOYSA-N 389.328 -0.705 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 277366683 BKTAOKKICTULPK-UHFFFAOYSA-N 381.374 -0.677 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1)N1CCOCC1 298682688 WTIRDMWAGPLIBH-UHFFFAOYSA-N 382.398 -0.201 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCCNCC1 423615098 UBAMUEGRFBEJJV-UHFFFAOYSA-N 389.412 -0.299 5 20 GBBD COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1[N+](=O)[O-] 424373709 XZTOMSCAGNEGGX-LLVKDONJSA-N 394.383 -0.524 5 20 GBBD CNS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 440142067 CYSWWQXOCYTVRX-VIFPVBQESA-N 390.443 -0.074 5 20 GBBD CS(=O)(=O)C1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 456954630 OZUVQGMEUFZXLQ-UHFFFAOYSA-N 391.427 -0.481 5 20 GBBD CC(C)(C(N)=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 474543313 VOMWECAIDOAHDG-UHFFFAOYSA-N 377.401 -0.267 5 20 GBBD COc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3C)CC2)cc1[N+](=O)[O-] 504867387 PTDUVWYLCHVEKI-UHFFFAOYSA-N 397.417 -0.367 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 555374372 FZKRGTMPGYOPKQ-ZZDSUILFSA-N 396.374 -0.051 5 20 GBBD Cn1ccnc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 555540460 RYBDIPVIKHZZKM-UHFFFAOYSA-N 394.413 -0.062 5 20 GBBD CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(C(=O)O)c2[N+](=O)[O-])C1 574044390 FHLBHELGEYLQJU-MRVPVSSYSA-N 393.399 -0.395 5 20 GBBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 599412668 MVQBBJXHKWYQMP-SNVBAGLBSA-N 390.385 -0.015 5 20 GBBD Cc1[nH]nc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] 608839766 XNPXLHVFYONPQR-UHFFFAOYSA-N 388.388 -0.115 5 20 GBBD Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733571631 OTKMDZCRNGNPOL-UHFFFAOYSA-N 378.297 -0.194 5 20 GBBD COCCn1cc(C(=O)NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])nn1 842282528 WWXPKZXVHYDTQX-UHFFFAOYSA-N 385.358 -0.040 5 20 GBBD CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 854592165 GZXPHSBEGBJFMB-UHFFFAOYSA-N 377.404 -0.545 5 20 GBBD O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)N[C@H]1CCS(=O)(=O)C1 916453831 BIAVGKNCJLCDRH-NSHDSACASA-N 399.381 -0.307 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 1117564693 MZUUDBCNLDFMJF-LBPRGKRZSA-N 378.389 -0.479 5 20 GBBD O=C(NCCNC(=O)C1CC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1321986989 MGLAYFTZGDDAGT-UHFFFAOYSA-N 389.412 -0.114 5 20 GBBD CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1590626822 YIJOYJNYNAEDTN-BXKDBHETSA-N 376.377 -0.172 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)c1cnc[nH]1 1785997701 VDBPIOIBWQPWLJ-NHCYSSNCSA-N 389.372 -0.052 5 20 GBBD O=C(NCCN1CCCS1(=O)=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 264537099 NDVDPDPIHHRBQP-UHFFFAOYSA-N 380.386 -0.059 5 20 GBBD CCS(=O)(=O)NCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)O 274956301 UFOXUPMTEADGSO-UHFFFAOYSA-N 381.388 -0.026 5 20 GBBD COC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 298215789 ZOJHJLOWXVSGBA-GFCCVEGCSA-N 380.405 -0.028 5 20 GBBD Cn1c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 332496155 XAFNMSMWKOLVLT-UHFFFAOYSA-N 379.373 -0.924 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1(=O)=O 424257724 NJDSGZGKYXLNNX-LBPRGKRZSA-N 386.338 -0.310 5 20 GBBD NC(=O)CS(=O)(=O)c1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 427603804 MFNUTPCFSGOHDW-UHFFFAOYSA-N 381.370 -0.520 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NCCOCC(N)=O)cc2[N+](=O)[O-])CC1 473963886 BUYHEFGDXZQHCL-UHFFFAOYSA-N 393.400 -0.505 5 20 GBBD CN1CCNC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 570214658 ZKYHPUNBXBXQBF-ZDUSSCGKSA-N 385.446 -0.717 5 20 GBBD CO[C@@H]1COC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 570797332 YYHZZPXYKCBDMO-CHWSQXEVSA-N 388.402 -0.414 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(=O)N(C)C 726894306 XPQCOVBUYSPZFF-QGHHPUGFSA-N 391.384 -0.045 5 20 GBBD CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 754806160 SRXBPTDNNLDMPK-UHFFFAOYSA-N 389.390 -0.793 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 766022383 CLPUUHHDMKJJJS-LLVKDONJSA-N 395.368 -0.154 5 20 GBBD CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@@H]12 853876738 LHQIVNFAOLWIGH-NDMJEZRESA-N 391.427 -0.510 5 20 GBBD NC(=O)C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)CC1 1592717964 BWULFGUSEYOJEG-UHFFFAOYSA-N 386.372 -0.311 5 20 GBBD CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840208769 WBMYJYMBBGQYFY-BZNIZROVSA-N 397.388 -0.577 5 20 GBBD O=C1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CN1 1844410676 DPGIOQFUQYUHFK-JTQLQIEISA-N 376.373 -0.339 5 20 GBBD COCCCNC(=O)CN(C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 63519604 JBEVSAQCTNKOEL-UHFFFAOYSA-N 394.384 -0.069 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1csc([N+](=O)[O-])c1 264212919 UHJAWSFUYGPVTF-GHMZBOCLSA-N 375.428 -0.116 5 20 GBBD CO[C@@H](C)CS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 282202489 OTRZPPNTHJXJBA-JTQLQIEISA-N 381.432 -0.173 5 20 GBBD COC(=O)CNC(=O)c1ccc(NC[C@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])c1 289581907 IUFCXYHWRWCRJQ-SECBINFHSA-N 379.329 -0.460 5 20 GBBD COCCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 440312384 HBXYIAKZFSGGNQ-GXTWGEPZSA-N 376.435 -0.322 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1CS(N)(=O)=O 440375421 XARPGQMVAPKCDZ-SNVBAGLBSA-N 386.386 -0.179 5 20 GBBD CN1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 485787352 OOIWLOVVYBTKFJ-OAHLLOKOSA-N 398.441 -0.242 5 20 GBBD Cc1c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)nnn1-c1cccc([N+](=O)[O-])c1 489541530 SXRVTDSEGCLOMI-GFCCVEGCSA-N 385.340 -0.140 5 20 GBBD O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 540156693 HRJYITQZEVFULN-SECBINFHSA-N 377.400 -0.824 5 20 GBBD CN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 552968452 DYNDBRIMBXKUOO-ZDUSSCGKSA-N 384.414 -0.048 5 20 GBBD C[C@@H]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CS1(=O)=O 598185620 OMBSPURNJRLEHZ-PSASIEDQSA-N 391.427 -0.062 5 20 GBBD O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCN(S(=O)(=O)C2CC2)CC1 599128851 MBYQRRCTJZQXCB-UHFFFAOYSA-N 398.445 -0.164 5 20 GBBD COC(=O)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C(=O)OC)C1 599273212 ADEFGMRJOBTKNS-RKDXNWHRSA-N 390.374 -0.556 5 20 GBBD O=C(CN1C(=O)c2ccccc2S1(=O)=O)OCCn1cnc([N+](=O)[O-])n1 749080523 SZDLOSMORGDZDG-UHFFFAOYSA-N 381.326 -0.426 5 20 GBBD COc1cc(S(=O)(=O)NC(=O)CCn2ncn(C)c2=O)ccc1[N+](=O)[O-] 815981987 HSQXPWGRRXSHRV-UHFFFAOYSA-N 385.358 -0.606 5 20 GBBD CC(=O)N1CCN(c2ccc(C(=O)NC[C@H](O)C(=O)O)cc2[N+](=O)[O-])CC1 833391691 NTNLHUZQKJUZNG-AWEZNQCLSA-N 380.357 -0.561 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[C@@H]2C1 1328315689 NOCBEJGGLAUNRO-NWDGAFQWSA-N 396.425 -0.142 5 20 GBBD O=c1c(-c2nn[nH]n2)cn(CCO)c(=O)n1Cc1ccc(F)cc1[N+](=O)[O-] 1607091487 GPBPUXLGSZZVKK-UHFFFAOYSA-N 377.292 -0.722 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@H]2CCCCN2C(=O)C(O)O)CC1 1824022640 UVAIBGIMRMXOIA-CQSZACIVSA-N 395.416 -0.278 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1837798820 DLTFABYOBXVQJG-HNNXBMFYSA-N 397.363 -0.110 5 20 GBBD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)CCN1 1843391082 SJODQTWBRRBJFF-JTQLQIEISA-N 376.373 -0.339 5 20 GBBD CNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23754027 ZUNBJOAYEGPLPW-NSHDSACASA-N 399.429 -0.255 5 20 GBBD Cn1cc(S(=O)(=O)N2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)cn1 266032564 SJIMZNHUFVXGKF-UHFFFAOYSA-N 382.406 -0.034 5 20 GBBD CNS(=O)(=O)c1ccc(N(C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 267551010 RQWGARHQCZBMQB-LBPRGKRZSA-N 388.446 -0.368 5 20 GBBD COC[C@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 269572711 UNAASRICWGWVDT-OCCSQVGLSA-N 387.414 -0.129 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2=O)cc1[N+](=O)[O-] 287505297 UTJVUPLQXQMBOM-SECBINFHSA-N 386.342 -0.191 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1=O 370713078 DQRAPBYAADDPNJ-MEBBXXQBSA-N 379.377 -0.189 5 20 GBBD Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 411427943 PGPVBYRCZGSTOH-LLVKDONJSA-N 389.368 -0.681 5 20 GBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CN2CCN1CC2 437008362 QMKKCMRIHHNFRN-CYBMUJFWSA-N 375.385 -0.564 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 445199050 XCFJTJHVPJKKQV-UHFFFAOYSA-N 391.340 -0.871 5 20 GBBD CCOc1ccc(NC(=O)CN2CC(=O)NC[C@@H]2C(=O)OC)c([N+](=O)[O-])c1 447911671 FIVHWROPPNHZOQ-CYBMUJFWSA-N 380.357 -0.095 5 20 GBBD O=C1CN(CCNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCN1 469746515 XQBWFWBSRPBLRS-UHFFFAOYSA-N 389.368 -0.590 5 20 GBBD CN(C)S(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 513117649 ULFWZAJRYKEMMD-UHFFFAOYSA-N 394.431 -0.876 5 20 GBBD COC[C@@H](CCO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 534416880 IZCYEPSHLOCPLR-LLVKDONJSA-N 375.403 -0.223 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 571919711 LEORJHGAPZYDMA-UHFFFAOYSA-N 396.385 -0.154 5 20 GBBD CN1C[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1=O 577230266 YZXKGNIUNJDBII-NSHDSACASA-N 384.414 -0.048 5 20 GBBD C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 592874140 SAUSFPIGDZWRNI-JTQLQIEISA-N 399.429 -0.566 5 20 GBBD CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 593792191 KMKKQKCPHGFVTG-VIFPVBQESA-N 392.415 -0.994 5 20 GBBD O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1[C@H]2COC[C@H]1C2 594356412 RRHKLUXEGBSDPX-BYNQJWBRSA-N 397.409 -0.282 5 20 GBBD CN(CC(=O)NCc1nnnn1C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 610303511 QXSFVMARVWMFLN-UHFFFAOYSA-N 395.401 -0.147 5 20 GBBD CCN(CC(=O)NC)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 733160290 FZWZSOCODBUYLF-UHFFFAOYSA-N 387.418 -0.361 5 20 GBBD NS(=O)(=O)c1cc(NCCS(=O)(=O)N2CCOCC2)cc([N+](=O)[O-])c1 748082916 MMYWEDIINPQROE-UHFFFAOYSA-N 394.431 -0.684 5 20 GBBD Cn1cnn(CCC(=O)NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c1=O 815983562 HJOWLYIDLUGQOD-UHFFFAOYSA-N 383.386 -0.431 5 20 GBBD O=[N+]([O-])c1cccc(OC[C@H](O)CNCCS(=O)(=O)N2CCOCC2)c1 818990176 YXLCHGZIKMXSFI-CQSZACIVSA-N 389.430 -0.414 5 20 GBBD COCCNCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 842270217 QWSRWSHGYVDUDL-UHFFFAOYSA-N 379.417 -0.404 5 20 GBBD CS(=O)(=O)N1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 1117093024 JBIDLRXUCPQIKO-UHFFFAOYSA-N 398.441 -0.253 5 20 GBBD CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1786619323 PEPBYNITIMYNPB-YDHLFZDLSA-N 378.385 -0.244 5 20 GBBD CC[C@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477292 MOZDYMXXSAUPIO-CYDGBPFRSA-N 394.432 -0.091 5 20 GBBD C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)CCCN1 1799215542 LHQSHILPLAMLFU-UZTWBRENSA-N 392.416 -0.337 5 20 GBBD CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1830524713 FYDAMKOPVCAHRF-SUMWQHHRSA-N 396.400 -0.236 5 20 GBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3COCCN3)CC2)c([N+](=O)[O-])c1 262603793 FDXSESZJGWEZKQ-CYBMUJFWSA-N 398.441 -0.365 5 20 GBBD CS(=O)(=O)N1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 269202158 YVXCBSBZFLYKCW-UHFFFAOYSA-N 378.432 -0.286 5 20 GBBD COC[C@@H](O)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 270819084 DZLPVMWQKWQLPQ-JTQLQIEISA-N 390.418 -0.442 5 20 GBBD O=C(O)[C@H]1Cn2c(O)nnc2CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 424397640 ZRMZLKFNSWZCGE-SNVBAGLBSA-N 383.342 -0.309 5 20 GBBD CN(C)S(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 461626200 BDPPZPOAEBDECG-JTQLQIEISA-N 388.402 -0.200 5 20 GBBD CN1C[C@H](NC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O 473875626 JYTJHQFJNTYGQS-SNVBAGLBSA-N 399.429 -0.060 5 20 GBBD CN1C(=O)N[C@]2(CCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)C1=O 507801858 FZDGSEWQEKMSEC-HNNXBMFYSA-N 379.304 -0.175 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N 519573998 UIBOUQGVQJKPBV-SNVBAGLBSA-N 386.434 -0.037 5 20 GBBD CCNS(=O)(=O)[C@@H]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 589111756 AKLOLPJPYJTAFY-SNVBAGLBSA-N 378.432 -0.240 5 20 GBBD Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)cc1[N+](=O)[O-] 590591254 RDHZNOZOMAOZIR-VIFPVBQESA-N 386.361 -0.626 5 20 GBBD O=C(N[C@@H]1CCOC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 591808531 JWUZAYCEMFHQNN-WZRBSPASSA-N 385.398 -0.376 5 20 GBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCCN2S(C)(=O)=O)n1 599318140 VCTPZZOACVTTFW-SECBINFHSA-N 381.436 -0.579 5 20 GBBD O=C(O)[C@@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 615778814 ZWNSMSJRQGNGIB-RYUDHWBXSA-N 387.370 -0.379 5 20 GBBD Cn1nccc1S(=O)(=O)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 765650224 JHVRNODARRJWLY-UHFFFAOYSA-N 388.383 -0.150 5 20 GBBD NS(=O)(=O)c1ccc(N2CCN(C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 1317726267 OFDBBNCXVSZEEX-UHFFFAOYSA-N 399.429 -0.184 5 20 GBBD CNS(=O)(=O)NC1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1591220292 LYTGAAYGXAPFGR-UHFFFAOYSA-N 382.406 -0.203 5 20 GBBD CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1784411384 YWAVJNPGMXYSOT-DCAQKATOSA-N 394.388 -0.953 5 20 GBBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1785547919 KSTFEPUBJBEUDO-QWNKOJSDSA-N 391.380 -0.251 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)[C@@H]2CCOC2)C1 1846692411 OXVIODPZPMNKFC-CYBMUJFWSA-N 390.396 -0.004 5 20 GBBD Cn1cc(S(=O)(=O)NCCOc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 68940409 OTHLVYRVEJZHTJ-UHFFFAOYSA-N 384.370 -0.651 5 20 GBBD CCOC(=O)C1CCN(C(=O)CN(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 266528475 LKHLGXXUVGUBTG-HNNXBMFYSA-N 397.432 -0.114 5 20 GBBD CS(=O)(=O)NCCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513335575 IBDZXXSBMDQJJE-UHFFFAOYSA-N 379.416 -0.333 5 20 GBBD NS(=O)(=O)c1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] 515590607 BEWHWVKMVCACJL-UHFFFAOYSA-N 397.413 -0.831 5 20 GBBD C[C@@H](NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)C(=O)N1CCOCC1 545544623 OYPQEUKLDHIZEF-SECBINFHSA-N 387.370 -0.181 5 20 GBBD CCO[C@@H]1CN(C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H]1CN 593768000 OLHQWDMNFVSTDU-QMTHXVAHSA-N 390.400 -0.091 5 20 GBBD O=C(OCCN1C(=O)CNC1=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769668065 GYMRUDRQYAYGIN-UHFFFAOYSA-N 390.308 -0.043 5 20 GBBD CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 795159576 ZPJHQLDJWDYXAO-QMMMGPOBSA-N 382.192 -0.258 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 855470239 DBIGRQLMOXIBFB-UKRRQHHQSA-N 399.425 -0.027 5 20 GBBD C[C@H](N)CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1119353055 SEAYXTUUZXNQIA-JTQLQIEISA-N 383.430 -0.206 5 20 GBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 1322705174 GKQLPOFAXVYPBS-MRXNPFEDSA-N 394.428 -0.595 5 20 GBBD O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N(Cc1cnn[nH]1)[C@@H]1CCS(=O)(=O)C1 1578028813 MKOGQCJKUBPBJN-SSDOTTSWSA-N 389.781 -0.081 5 20 GBBD C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1589888963 FTJUKVZEJAZSHI-IUCAKERBSA-N 384.374 -0.258 5 20 GBBD C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 1590163651 KSBGNFXQYUPIBI-QMMMGPOBSA-N 381.374 -0.374 5 20 GBBD CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1590991343 DLVPCUROQHQIDY-DGCLKSJQSA-N 388.388 -0.077 5 20 GBBD O=C(c1csnn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382934 LXXKFVRNDCXNAM-CQSZACIVSA-N 393.385 -0.073 5 20 GBBD Cn1ncnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413436 XCVOLSMWCWTORI-MRXNPFEDSA-N 389.372 -0.191 5 20 GBBD COC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403359 IYSYGMASNDOTRX-JGPRNRPPSA-N 381.389 -0.054 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1)C(O)O 1802918638 HJPQLHFAPTZOJK-JQWIXIFHSA-N 390.356 -0.657 5 20 GBBD Nc1n[nH]c(CCC(=O)N2CCCC23CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)n1 1844183568 NDCHLDGOOVLYTF-UHFFFAOYSA-N 389.376 -0.532 5 20 GBBD CCOC(=O)C(=O)N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 265445680 BLXFFIIIAOSFHF-UHFFFAOYSA-N 392.368 -0.442 5 20 GBBD Cc1cc(C)c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 276956864 FXXPVRFFXQGRLC-UHFFFAOYSA-N 378.432 -0.279 5 20 GBBD CN(CCOCCO)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 282095476 DIUKKRMSZJXHCK-UHFFFAOYSA-N 390.418 -0.477 5 20 GBBD CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 283499931 JKLAYFSCBWQMIU-UHFFFAOYSA-N 378.432 -0.326 5 20 GBBD O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C(=O)Cn2cnnn2)CC1 298785272 NIAZKCRXIBIYQJ-UHFFFAOYSA-N 375.345 -0.669 5 20 GBBD NS(=O)(=O)c1cc(N2CCN(CC(=O)N3CCCC3)CC2)cc([N+](=O)[O-])c1 298808967 WNDDDJQXEDDFKT-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD NC(=O)c1cc([N+](=O)[O-])cn(CC2=Nc3ccccc3S(=O)(=O)N2)c1=O 508522080 OYEDEHGJTBVBHD-UHFFFAOYSA-N 377.338 -0.123 5 20 GBBD O=C(O)c1ccc(S(=O)(=O)N2CCN(c3nccnn3)CC2)cc1[N+](=O)[O-] 600665440 RBLRKWSQPMPONH-UHFFFAOYSA-N 394.369 -0.011 5 20 GBBD O=C(CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 768804148 AUOYPTXHCACZAQ-QMMMGPOBSA-N 397.456 -0.372 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)C(=O)NCCN1CCOCC1 805968783 UUNCPQMKJMOFHY-GFCCVEGCSA-N 383.405 -0.130 5 20 GBBD Cc1cncc([N+](=O)[O-])c1N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1117280866 GSIMWDWLMARUBI-UHFFFAOYSA-N 384.462 -0.088 5 20 GBBD CS(=O)(=O)NCC1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 1605358243 MCPJYBYUNHVYGB-UHFFFAOYSA-N 382.406 -0.065 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C1CC(O)C1 1792892260 RRKWJUKIAXRCAA-YBLIIWNKSA-N 379.373 -0.708 5 20 GBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)n[nH]1 1798646003 WDLQORBAEFTRHR-PEGIJTEDSA-N 389.372 -0.134 5 20 GBBD O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 46593739 HEQWZLBAHQTVST-UHFFFAOYSA-N 393.381 -0.509 5 20 GBBD COC[C@@H](CCO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 265815818 MCAMGKJUSJZTBD-LLVKDONJSA-N 390.418 -0.430 5 20 GBBD COC[C@H](CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])OC 272764783 GFVYEULIBCHEPV-JTQLQIEISA-N 390.418 -0.178 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC(=O)O)C(=O)O 274900375 HXOYSBBXLKZYLN-MRVPVSSYSA-N 376.299 -0.412 5 20 GBBD NS(=O)(=O)N1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 359865743 HKCPUDOUCIKRNW-UHFFFAOYSA-N 378.432 -0.364 5 20 GBBD CN(C)CCNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 373253147 SBSFCTYZHVDETD-VXGBXAGGSA-N 388.446 -0.633 5 20 GBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1Cc2nnc(O)n2C[C@H]1C(=O)O 424390704 KVTJPUCQOAZAPF-VIFPVBQESA-N 383.342 -0.142 5 20 GBBD C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H](C)S1(=O)=O 427895299 NCCXFJBFVCVJMQ-DTORHVGOSA-N 391.427 -0.110 5 20 GBBD NC(=O)[C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 459978631 WMLNLXBJBVYTQE-AWEZNQCLSA-N 376.369 -0.202 5 20 GBBD CCOC(=O)[C@@](C)(O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 468947103 JMNGFUDIHPDGBM-INIZCTEOSA-N 381.341 -0.250 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C(=O)OC)[C@@H](C)O 468987338 MPELMQFYUZVPAD-HQJQHLMTSA-N 376.343 -0.418 5 20 GBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CS(=O)(=O)CCO1 509626984 VQPUHAIUSSDQDG-LLVKDONJSA-N 386.382 -0.162 5 20 GBBD Cn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 532402850 FFKFLFMMGYUETI-UHFFFAOYSA-N 396.385 -0.639 5 20 GBBD CNS(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c([N+](=O)[O-])c1 539549319 NLNHAVVMTJKBJV-JTQLQIEISA-N 392.459 -0.027 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H](CO)CCF 593319270 KUZGMJNJCGGNCC-JTQLQIEISA-N 378.382 -0.107 5 20 GBBD CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 598026420 FDAWDIFALCBOST-ZWKOPEQDSA-N 385.398 -0.359 5 20 GBBD CN(C)S(=O)(=O)N1CC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 599182038 HWJDYQFFCBEUCA-UHFFFAOYSA-N 379.420 -0.855 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(S(N)(=O)=O)CC1 609090665 KYDOUCNCQNMUDN-JTQLQIEISA-N 384.414 -0.007 5 20 GBBD O=C1CC[C@H](OC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1 798607167 RGSGANABOSKPJS-NSHDSACASA-N 385.354 -0.388 5 20 GBBD O=C(NCCNC(=O)C1CC1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1322524938 OZOPITOTYZQGHW-UHFFFAOYSA-N 376.369 -0.173 5 20 GBBD COC[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)OC 1325938048 UZZTWKDTBSAROK-GFCCVEGCSA-N 381.389 -0.584 5 20 GBBD CN(CCN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(=O)C1(C(N)=O)CC1 1579140241 AMADMTLCCVBBBB-UHFFFAOYSA-N 388.388 -0.065 5 20 GBBD C[C@@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788810153 CIQONAMPKIGJRG-ZPFDUUQYSA-N 380.405 -0.494 5 20 GBBD NC(=O)[C@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798685916 NSSVQKXJDZVFLJ-LMLFDSFASA-N 393.404 -0.838 5 20 GBBD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2)c1nc[nH]c1[N+](=O)[O-] 1817195471 QFTBZROBOSHYPV-YFKPBYRVSA-N 382.358 -0.689 5 20 GBBD CO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1846405551 PKZOOLNQZWPVKJ-GFCCVEGCSA-N 378.385 -0.005 5 20 GBBD COCCNC(=O)CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 269563411 GDBOXWYAFMDNEB-UHFFFAOYSA-N 389.368 -0.058 5 20 GBBD CN(C[C@H](O)CO)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 271273507 MIPOVFJMMWVQOH-LBPRGKRZSA-N 375.403 -0.595 5 20 GBBD CC(C)(NS(C)(=O)=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 273439523 YALMRIIARLVLSP-UHFFFAOYSA-N 393.443 -0.188 5 20 GBBD CCN1CCN(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)C1=O 365929074 QPKSHSUIBPPAOU-UHFFFAOYSA-N 378.389 -0.355 5 20 GBBD O=C(C(=O)N1CC[C@@]2(CCNC2)C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 423587083 FFGYOJIFWIQSIS-GOSISDBHSA-N 388.428 -0.150 5 20 GBBD O=C(O)c1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 516968306 OSFLYZSOEWCIQV-UHFFFAOYSA-N 393.399 -0.393 5 20 GBBD C[C@@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(=O)N1 544508419 HTHDAJLDIAOPRU-GHMZBOCLSA-N 384.414 -0.096 5 20 GBBD C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCN1S(C)(=O)=O 596477844 HYUVDENYKWXUNQ-SECBINFHSA-N 378.432 -0.288 5 20 GBBD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnn(C[C@H](O)CO)c1 597499834 GUYQACHALLSEGC-ZDUSSCGKSA-N 398.397 -0.652 5 20 GBBD CCNC(=O)CN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598585854 AWFVYXCRASOYDW-UHFFFAOYSA-N 379.421 -0.521 5 20 GBBD Cc1c(C(=O)NCc2nnc(S)n2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 746219002 QCCPMXVFIAFUGQ-UHFFFAOYSA-N 386.415 -0.102 5 20 GBBD C[S@@](=O)CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 758869025 PPVZHRRZUSVWDF-HSZRJFAPSA-N 376.460 -0.257 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(C(=O)[C@H](C)O)CC1 766022384 CLPUUHHDMKJJJS-NSHDSACASA-N 395.368 -0.154 5 20 GBBD O=C(CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCNCC1 841919318 HSVQEECLXBJPHG-UHFFFAOYSA-N 376.417 -0.142 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)OCC(=O)N1CCN(c2cnccn2)CC1 913305009 FQPBBEBFGTTYLV-UHFFFAOYSA-N 375.345 -0.527 5 20 GBBD COC(=O)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C(=O)OC)C1 1320804277 HLXPKBMFYVSVGS-QWRGUYRKSA-N 381.341 -0.290 5 20 GBBD COC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382070 AIDSGJHHNNOFMN-INIZCTEOSA-N 395.372 -0.285 5 20 GBBD O=C1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2n[nH]cc2[N+](=O)[O-])CN1 1798689473 BKYFCUKNKJCAOW-MMWGEVLESA-N 376.373 -0.294 5 20 GBBD C[C@H]1OCCN[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 261961692 PRZOKKQPBWOLKH-DOMZBBRYSA-N 398.441 -0.195 5 20 GBBD CN(CCNC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)Cn1ccc([N+](=O)[O-])n1 275845528 HIGVNMQSGRWPFZ-UHFFFAOYSA-N 380.321 -0.829 5 20 GBBD O=C(O)[C@H](CO)NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 277251486 LUQCVXOIOYOKBD-QMMMGPOBSA-N 375.315 -0.725 5 20 GBBD CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 378228087 NWZSVJBITVPWTA-JTQLQIEISA-N 386.386 -0.308 5 20 GBBD CN(CCNS(C)(=O)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421010465 IXEWLIRUWBBBMQ-UHFFFAOYSA-N 380.448 -0.646 5 20 GBBD COCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(=O)OC 428506046 GOFHRGJXHSEBHT-VIFPVBQESA-N 375.359 -0.450 5 20 GBBD CCOC(=O)CNC(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 441121851 KNOGXZJKIADTIL-CQSZACIVSA-N 383.405 -0.457 5 20 GBBD COc1ccc(NC(=O)CCN2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 533286273 HWGLDJBVYLVNHQ-UHFFFAOYSA-N 387.418 -0.247 5 20 GBBD NC(=O)CN1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1=O 600001908 LRZDJBHPERWQTF-UHFFFAOYSA-N 390.331 -0.311 5 20 GBBD O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@@H](O)C1 600217160 QDWRYYVFIGIHHU-KKUMJFAQSA-N 399.425 -0.298 5 20 GBBD CNC(=O)c1ccc(NCCN2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 604429123 ROCAXWXNONCUGL-UHFFFAOYSA-N 385.446 -0.057 5 20 GBBD CON(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1325547816 KJQIKFNKROJTJO-UHFFFAOYSA-N 386.386 -0.553 5 20 GBBD C[C@H](O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CCO1 1589996057 PQOAHTYCDZRLPN-KWQFWETISA-N 384.374 -0.455 5 20 GBBD CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1786475405 VLEPSRGABVJAHE-QEJZJMRPSA-N 394.432 -0.667 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787476628 BHDLEPJZGZXZDL-DCAQKATOSA-N 389.372 -0.052 5 20 GBBD CC(=O)N1CCN(CCNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 46823636 ZUIDQZIVUWACNZ-CYBMUJFWSA-N 391.428 -0.007 5 20 GBBD CC(C)NC(=O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 52552795 SJYHTPZWTISBKE-UHFFFAOYSA-N 387.418 -0.315 5 20 GBBD NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 54369448 SXUVRUYGIABZOY-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N1CCOCC1 68736923 GGTVRVVVHJFASS-SNVBAGLBSA-N 390.352 -0.446 5 20 GBBD COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 264192666 SBNGMTITAKYCSD-JTQLQIEISA-N 385.398 -0.021 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] 275160273 SZRKXTIWMUWWMZ-GZMMTYOYSA-N 387.370 -0.057 5 20 GBBD COC[C@@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 280116819 VNMLJPOFWHRZER-SECBINFHSA-N 376.391 -0.832 5 20 GBBD O=C(O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 414612174 MFDUCWJZHDLNCZ-JTQLQIEISA-N 386.386 -0.011 5 20 GBBD NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(C(=O)CN2CCOCC2)CC1 420587064 OUUOWPNJEMCRET-UHFFFAOYSA-N 377.401 -0.326 5 20 GBBD Cc1c(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 425094460 UMFHTOMMYKWCDV-SNVBAGLBSA-N 384.370 -0.572 5 20 GBBD COCc1noc(CN2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)n1 444485989 PUXAYARDDXHHTJ-UHFFFAOYSA-N 392.372 -0.370 5 20 GBBD Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 476354760 MXUXDWDRJDLCTI-UHFFFAOYSA-N 386.368 -0.170 5 20 GBBD COC(=O)c1cnc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1 561141568 NHIVKGVJJSEDTH-UHFFFAOYSA-N 381.370 0.562 5 20 GBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 571918086 JDAIATDEFAFLGL-UHFFFAOYSA-N 384.414 -0.337 5 20 GBBD CNS(=O)(=O)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 578758830 ANCLTPHTJMMLBB-SNVBAGLBSA-N 375.432 -0.088 5 20 GBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H](CO)CN1CCOCC1 597616340 KDWHVIKIOSDMCL-AWEZNQCLSA-N 395.416 -0.797 5 20 GBBD CCn1nc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1=O 609725718 MOKITMUEJLEMDX-UHFFFAOYSA-N 395.397 -0.120 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCCN1CCNC1=O 771598649 XXUUMPCCIJYPOJ-UHFFFAOYSA-N 386.386 -0.168 5 20 GBBD CN1CCC[C@H](OC(=O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 778763326 HFGWNHNMMWFEDV-LBPRGKRZSA-N 386.386 -0.182 5 20 GBBD C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 839330259 BIKPBNUSUDEPLJ-LLVKDONJSA-N 378.389 -0.356 5 20 GBBD CN1CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 1117880708 KVWJIRMRYCFGCQ-UHFFFAOYSA-N 389.412 -0.347 5 20 GBBD CN(Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 1591125322 GMFPKMNCWHOIKD-LBPRGKRZSA-N 377.405 -0.100 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)SC[C@H]1C(=O)NCCC(=O)O 1600720720 VUUVWDRFSCTEJN-UWVGGRQHSA-N 385.402 -0.019 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2)c1n[nH]cc1[N+](=O)[O-] 1798011068 XLPKIRCHRXLEFO-LYIQGSDWSA-N 379.373 -0.300 5 20 GBBD CC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824808 VZQAELIOFDYXTA-SUMWQHHRSA-N 396.400 -0.236 5 20 GBBD Cn1ncc2c(=O)n(CC(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])cnc21 12057938 AICXNLCJEXWNJZ-UHFFFAOYSA-N 386.324 -0.120 5 20 GBBD CC[C@@H]1C(=O)NCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 264440175 NVLPEAVKYRIGNU-GFCCVEGCSA-N 399.429 -0.219 5 20 GBBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1C 269129871 HXHDRSUXOLRANQ-LLVKDONJSA-N 382.398 -0.457 5 20 GBBD O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1O 272395967 MAWIVDHIKBNZKZ-STQMWFEESA-N 385.398 -0.472 5 20 GBBD COC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 279809592 FNJBRQBYRJKQIA-JTQLQIEISA-N 376.391 -0.820 5 20 GBBD CCS(=O)(=O)NCCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 298748143 MABXXFVIPSUWKJ-UHFFFAOYSA-N 388.402 -0.611 5 20 GBBD CC1(C)CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](CO)O1 421943090 RLDNOYUAQRSZKA-LLVKDONJSA-N 387.414 -0.129 5 20 GBBD O=C(O)[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O 424370295 SPMXSRFAUNQNPP-NSHDSACASA-N 378.384 -0.392 5 20 GBBD COCCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 440312387 HBXYIAKZFSGGNQ-TZMCWYRMSA-N 376.435 -0.322 5 20 GBBD CS(=O)(=O)NCC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 441225566 JKNSWULPRFKZLF-TZMCWYRMSA-N 375.451 -0.054 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c([N+](=O)[O-])c1 487844056 RRVKCHXXVPRISF-SNVBAGLBSA-N 399.381 -0.068 5 20 GBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 517865984 AIHCNNKIBIMEDG-VIFPVBQESA-N 399.381 -0.301 5 20 GBBD CCn1cc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c([N+](=O)[O-])n1 533632469 GPADBWVGWRGZEV-SNVBAGLBSA-N 395.463 -0.098 5 20 GBBD CC(C)[C@@H](C(=O)O)N1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1=O 568490069 FLIPENDZSWFQIH-KOLCDFICSA-N 386.386 -0.022 5 20 GBBD COc1c(F)cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] 594822123 KUWFVRBCROOPAH-ONGXEEELSA-N 398.390 -0.167 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 594876069 BYXHXQYUFSIVGD-BPNCWPANSA-N 375.385 -0.517 5 20 GBBD CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 773306688 IZGAMNVJXYWFRH-UHFFFAOYSA-N 382.373 -0.146 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 776582237 NBPDETUCHRWTEK-HNNXBMFYSA-N 390.396 -0.079 5 20 GBBD CN(C)C(=O)c1ccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 780626775 RPSKIEJMNHYBTB-UHFFFAOYSA-N 381.370 -0.002 5 20 GBBD Cn1cnnc1COCC(=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861405337 LDTWINNTZMWFQQ-UHFFFAOYSA-N 399.385 -0.550 5 20 GBBD CNS(=O)(=O)NC1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 1591220183 JNWWTLLJGOYPFH-UHFFFAOYSA-N 382.406 -0.203 5 20 GBBD COC(=O)C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1[N+](=O)[O-])C(=O)OC 1777104620 OFPMICCUOKAEBG-QMMMGPOBSA-N 390.326 -0.324 5 20 GBBD Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795977428 BJDWWKGGTDVGKL-DOFRTFSJSA-N 390.360 -0.739 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840634683 CFNQLWIVOYYTEG-MRXNPFEDSA-N 379.373 -0.202 5 20 GBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N2CCCC2)CC1 298812578 UFQLJKWRAZOLKW-UHFFFAOYSA-N 397.457 -0.013 5 20 GBBD Cc1sc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1[N+](=O)[O-] 424370330 SSDDGSSNRONFIV-MRVPVSSYSA-N 384.413 -0.163 5 20 GBBD O=C(c1cc([N+](=O)[O-])cnc1O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 440372720 OIWFIZBBMNETCT-UHFFFAOYSA-N 397.369 -0.029 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 509607032 FECXKOJGJWQNTM-GHMZBOCLSA-N 389.434 -0.243 5 20 GBBD CCS(=O)(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 517670239 SCLRKTNWTBSWAV-JTQLQIEISA-N 388.402 -0.152 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[C@@H](CO)O1 554473524 LEJUWVBTFOEZIY-OLZOCXBDSA-N 387.414 -0.081 5 20 GBBD CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 564729999 YYMCFQYFKATQLD-UHFFFAOYSA-N 378.389 -0.767 5 20 GBBD C[C@@H]1C(=O)N(C)CN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 592900841 IUKRKTYIGPZYMM-SECBINFHSA-N 385.402 -0.309 5 20 GBBD NS(=O)(=O)C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 596125246 NFUYCNCHOFNYEN-SECBINFHSA-N 378.432 -0.253 5 20 GBBD CS(=O)(=O)NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 609515003 AXRWNXPXJWCFKW-VIFPVBQESA-N 390.443 -0.074 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1606616553 XBJOSDZCNOIFQP-UHFFFAOYSA-N 384.360 -0.285 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787480603 XZQPUYCHUSHUAV-RNJOBUHISA-N 393.400 -0.052 5 20 GBBD CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796405847 QWUSWWNLCPIUAQ-PTEHBNRSSA-N 394.388 -0.953 5 20 GBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)n1 1847105556 WOHVPSZNPWHWRA-UHFFFAOYSA-N 392.372 -0.516 5 20 GBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc[nH]n1 1847897557 ZHUFOBWQMNLRET-STQMWFEESA-N 386.368 -0.005 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 109776242 ZWHSCJZGLNFFKN-UHFFFAOYSA-N 392.416 -0.217 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)[C@H]2CCOC2)c1 265462559 GZRDXVLDKACQNH-LBPRGKRZSA-N 379.416 -0.419 5 20 GBBD CC(C)NC(=O)CN1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 269146129 JVVQJBQJKYPYTA-UHFFFAOYSA-N 385.446 -0.111 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 276140722 DVLWTSMQFHVFFC-UHFFFAOYSA-N 390.356 -0.597 5 20 GBBD CNS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 294410376 WJJGASAZRRWKOQ-UHFFFAOYSA-N 399.429 -0.677 5 20 GBBD COc1ccc(S(=O)(=O)N2CCCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 359864168 AEWHQRIUYIKYEC-UHFFFAOYSA-N 394.431 -0.497 5 20 GBBD O=C(NC[C@H]1CNCCCO1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 420188005 MNAAIGNOSSCFMX-MRXNPFEDSA-N 391.428 -0.262 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 425092224 QOCFOFXQSLKCMP-LBPRGKRZSA-N 398.397 -0.521 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 447931575 PNQLVWLAWMJIRW-NSHDSACASA-N 394.365 -0.195 5 20 GBBD O=C1CNC(=O)N1CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 500077129 XWPJAVDXGDNRKN-UHFFFAOYSA-N 386.342 -0.804 5 20 GBBD C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC(=O)O 827826244 MJXZRDLPMVBHBB-DTWKUNHWSA-N 383.313 -0.075 5 20 GBBD CON(C)C(=O)[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 863705489 YZIZTUBPGKWSBT-SNVBAGLBSA-N 388.402 -0.260 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC1CCN(C(=O)C2CC2)CC1 1116994159 ZHDHVOIKNRNTCF-UHFFFAOYSA-N 378.389 -0.575 5 20 GBBD O=C(c1cnc(O)[nH]1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381353 YVXJGHMHXXZVEC-HNNXBMFYSA-N 391.344 -0.496 5 20 GBBD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1)C(O)O 1802920000 KOQAYCCFYBZRTC-GWCFXTLKSA-N 390.356 -0.657 5 20 GBBD COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825875 WUCQNSKTCWIVMW-INIZCTEOSA-N 382.373 -0.361 5 20 GBBD CCOc1cc(NC(=O)C(=O)NCC(=O)NCCO)c([N+](=O)[O-])cc1OCC 275764945 GUBDBTFRPBCYTM-UHFFFAOYSA-N 398.372 -0.445 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CCOC[C@@H](O)C2)c(C)c([N+](=O)[O-])c1 296310378 JCWXMGJLVZMDSS-NSHDSACASA-N 381.341 -0.152 5 20 GBBD COc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 430198484 YRCJZZGQWKSPCM-LSDHHAIUSA-N 385.442 -0.121 5 20 GBBD CCOC[C@H](O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 434443185 VKYAFYUUYRATLW-GFCCVEGCSA-N 375.403 -0.223 5 20 GBBD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 487118862 MOQJQZDYMHQXCS-QWRGUYRKSA-N 394.384 -0.103 5 20 GBBD CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1N 519573985 UIBOUQGVQJKPBV-JTQLQIEISA-N 386.434 -0.037 5 20 GBBD C[C@H](CNC(=O)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)S(N)(=O)=O 566710200 UOQAQOMTFXBZCP-SECBINFHSA-N 386.386 -0.891 5 20 GBBD CNc1nccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1[N+](=O)[O-] 577640988 SJKDLZGUURMDNF-YRRQLQLVSA-N 385.380 0.568 5 20 GBBD O=C(NCC(=O)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21)c1cccc([N+](=O)[O-])c1 590541081 BWCWLDXUOAOKIN-KTROUZAKSA-N 387.392 -0.088 5 20 GBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 593792481 QNIMJKOEEZLWMB-WDEREUQCSA-N 388.450 -0.023 5 20 GBBD CCN1C[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 593826346 WKBGJTGTNVRKIV-LLVKDONJSA-N 384.414 -0.142 5 20 GBBD CNc1nccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1[N+](=O)[O-] 594299900 YFFFAIQOWKYUQV-ZDUSSCGKSA-N 378.433 0.168 5 20 GBBD CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 598030935 VNAQUFQPLPOEHB-KOLCDFICSA-N 392.411 -0.460 5 20 GBBD N[C@@]12CCC[C@H]1CN(C(=O)C(=O)N1CCN(c3ncccc3[N+](=O)[O-])CC1)C2 598732570 SIPBWTMZGBTADM-SCLBCKFNSA-N 388.428 -0.022 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 733567311 YQSMHHSNAHURSR-UHFFFAOYSA-N 382.260 -0.364 5 20 GBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 760035223 GUHDGKIRWVDFCA-CMPLNLGQSA-N 381.341 -0.056 5 20 GBBD C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825006631 MTJQCRHPSJRYPK-BDAKNGLRSA-N 384.374 -0.455 5 20 GBBD C[C@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 827559264 VMVXPAXHDGXWEA-SECBINFHSA-N 395.415 -0.487 5 20 GBBD O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cn(C[C@@H]2CCOC2)nn1 860860854 NMBNEROLITXKDZ-VIFPVBQESA-N 382.358 -0.264 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 1120716584 AMHCJOMAYPGNBH-GFCCVEGCSA-N 386.382 -0.056 5 20 GBBD CON(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1326840838 UNWMYLRESGXZDA-UHFFFAOYSA-N 386.386 -0.553 5 20 GBBD NC(=O)C1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 1328687281 CTYITFOSXIAULR-UHFFFAOYSA-N 378.385 -0.116 5 20 GBBD O=C(C(=O)N1CCC(O)(CO)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1329607101 BMMNSFIIUCDEHP-UHFFFAOYSA-N 392.412 -0.411 5 20 GBBD C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)N(C)C 1346758731 NIZUVAPCSIAIHP-NSHDSACASA-N 378.389 -0.769 5 20 GBBD O=C(c1ncon1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382825 LRSCHAAQVILIEF-AWEZNQCLSA-N 377.317 -0.542 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCC1)C2 1794006650 UQZQAXVPWWMXCF-YWVIFJGQSA-N 391.384 -0.315 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097032 TTXVKXMTWRUKIE-USBNGQNGSA-N 397.363 -0.254 5 20 GBBD Cc1nc(CC(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)no1 1841998963 MBXJZIWAOBTCDP-UHFFFAOYSA-N 389.372 -0.071 5 20 GBBD CC[C@H](O)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823822 SOAMQHPQHYKFQZ-ZDUSSCGKSA-N 378.385 -0.269 5 20 GBBD NC(=O)C(NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=O 42789057 NOPUJNBBJHKCAQ-UHFFFAOYSA-N 377.279 -0.129 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1)OCCO2 263989254 JLBMPQHRCRXHHV-MRVPVSSYSA-N 378.384 -0.169 5 20 GBBD COc1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1[N+](=O)[O-] 272866013 JQKNBOGFHNHAEP-JTQLQIEISA-N 386.386 -0.308 5 20 GBBD COC[C@@]1(C)NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 277431028 BKXKHIOTLOPCQP-CQSZACIVSA-N 386.386 -0.170 5 20 GBBD Nc1c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc(F)cc1[N+](=O)[O-] 298701970 SHOXXFXUNBEOTP-UHFFFAOYSA-N 395.391 -0.067 5 20 GBBD CN1C(=O)CC[C@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 425601182 FVYNBJDWOLHINW-LBPRGKRZSA-N 398.397 -0.185 5 20 GBBD CCc1[nH]nc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-] 444158889 UZHTZZZVLFSEGN-WDEREUQCSA-N 387.418 -0.892 5 20 GBBD Nc1c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cccc1[N+](=O)[O-] 468703533 KJOGPPJUHKMQSE-UHFFFAOYSA-N 389.368 -0.390 5 20 GBBD NS(=O)(=O)c1ccc(NCCC(=O)NC[C@@H]2COCCO2)c([N+](=O)[O-])c1 490591347 WTECAYTZUUYHMU-SNVBAGLBSA-N 388.402 -0.424 5 20 GBBD C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 532145468 VTXKSBVHEYVGBZ-CYBMUJFWSA-N 377.401 -0.005 5 20 GBBD CNc1nccc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] 564736999 VRYHJGWQMXRHKU-LLVKDONJSA-N 376.417 0.456 5 20 GBBD O=C1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCN1 763748385 XQQIPKGXFWLIIB-UHFFFAOYSA-N 383.382 -0.206 5 20 GBBD COC(=O)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C(=O)OC)C1 1320804278 HLXPKBMFYVSVGS-WDEREUQCSA-N 381.341 -0.290 5 20 GBBD COC[C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC 1323779279 FBEBXQZJEQHGLK-ZDUSSCGKSA-N 381.389 -0.584 5 20 GBBD CC(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1792613092 SDPPHGABNFFDTO-GNXNZQSNSA-N 381.389 -0.054 5 20 GBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 24698759 JIPJCOCSNHETAW-UHFFFAOYSA-N 397.457 -0.155 5 20 GBBD COC[C@H](O)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 270930802 WTEMWHKSVZRAGS-GFCCVEGCSA-N 390.418 -0.430 5 20 GBBD CS(=O)(=O)[C@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 281993776 BMYRSVLCOCRMGH-VIFPVBQESA-N 381.366 -0.164 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 485828662 ANLFVRFFDZDEJE-JOYOIKCWSA-N 375.341 -0.524 5 20 GBBD O=C(O)[C@H]1C[S@@](=O)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 548258305 XYLCLSGAKYTPQJ-SPSFWMDKSA-N 376.412 -0.015 5 20 GBBD CCN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O 565996309 ZGXATKVUGIWDPH-UHFFFAOYSA-N 390.400 -0.671 5 20 GBBD CN(C)S(=O)(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 574340304 YRMDNHYOJIGWEK-CMPLNLGQSA-N 383.430 -0.407 5 20 GBBD N[C@H]1C[C@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)CCN2C1=O 582371724 KJFJSBYSMZQCSH-KBPBESRZSA-N 375.385 -0.976 5 20 GBBD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1nnnn1C1CC1 610303636 YGTJZRVBRGFUQO-UHFFFAOYSA-N 395.401 -0.099 5 20 GBBD O=C(CCCN1C(=O)CNC1=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 762737979 KMEIDWDXEAJGBB-UHFFFAOYSA-N 398.397 -0.085 5 20 GBBD Cn1c(=O)c2c(ncn2CC(=O)OCc2cc(O)ccc2[N+](=O)[O-])n(C)c1=O 837343023 DEAUFOIDGRYVNO-UHFFFAOYSA-N 389.324 -0.209 5 20 GBBD CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 1323674244 VSVHMVUTYKGFMY-CYBMUJFWSA-N 398.441 -0.349 5 20 GBBD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1783435313 PNTHYQIOLCWTKE-QEJZJMRPSA-N 393.396 -0.572 5 20 GBBD CC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795141668 JJOAUHKKGBDZQS-GNXNZQSNSA-N 379.373 -0.110 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2)c1cc(O)no1 1798203701 QWAULTXJYNTSMQ-AKZRSSKFSA-N 392.328 -0.472 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCCNC1=O 66965518 KPPFGQRALLXKMA-CYBMUJFWSA-N 399.429 -0.159 5 20 GBBD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 263952265 LEPOYMMYYCUSHD-CQSZACIVSA-N 379.417 -0.185 5 20 GBBD NC(=O)C1=NO[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 276253321 MJNJZHVLEVBPNE-SNVBAGLBSA-N 377.357 -0.209 5 20 GBBD COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c(C)c([N+](=O)[O-])c1 276978156 YYKSUWMRFAKDBI-JTQLQIEISA-N 393.356 -0.102 5 20 GBBD COC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)O)cc1[N+](=O)[O-] 277264168 NSRZTPZDBZQROK-LDWIPMOCSA-N 377.331 -0.115 5 20 GBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 291886413 QVJZZMVPDUTAPY-VKKKGTNTSA-N 387.414 -0.279 5 20 GBBD C[C@@H]1CNCCN1C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 423608676 OJBVERNONNDAFX-LLVKDONJSA-N 395.441 -0.239 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CCCNCC1 423609887 LZZVEZRFMRHZBF-UHFFFAOYSA-N 395.441 -0.237 5 20 GBBD CNc1nc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1[N+](=O)[O-] 455681771 LTFJYJVETGKISW-GFCCVEGCSA-N 392.416 -0.306 5 20 GBBD CN(C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 462751869 AESAZCQKVIPBFU-UHFFFAOYSA-N 397.417 -0.335 5 20 GBBD COCCCNC(=O)[C@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 505605509 CXUVNJTUTJHTAJ-LBPRGKRZSA-N 394.432 -0.248 5 20 GBBD COc1c(F)cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)O)cc1[N+](=O)[O-] 555374371 FZKRGTMPGYOPKQ-VKTRGTBVSA-N 396.374 -0.051 5 20 GBBD O=C(COC(=O)[C@@H]1CNC(=O)N1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 732359404 CRESTLLQGBAOHP-VIFPVBQESA-N 380.313 -0.081 5 20 GBBD CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 748910305 DFYZHDBATIQYDS-NSHDSACASA-N 380.357 -0.621 5 20 GBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N 773674064 RTEFDTQHZGOVTJ-CYBMUJFWSA-N 380.357 -0.303 5 20 GBBD O=C1CC[C@H](OC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1 798606739 NIQHUBLVOLLPPI-NSHDSACASA-N 385.354 -0.388 5 20 GBBD O=C(COC(=O)[C@@]1(O)CCOC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 840690620 DLJHVPNLBLQYIY-QGZVFWFLSA-N 379.369 -0.062 5 20 GBBD O=C1N[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 858137884 YVCDBORLOHJOFK-ZDUSSCGKSA-N 398.397 -0.074 5 20 GBBD CN(CC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1116163355 BADVNUFAJPNAQG-LLVKDONJSA-N 385.398 -0.123 5 20 GBBD COCCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1116999201 QBCSHSXLQPSGNM-CQSZACIVSA-N 399.425 -0.127 5 20 GBBD COc1c(F)cc(S(=O)(=O)N(C)CCNS(C)(=O)=O)cc1[N+](=O)[O-] 1320456985 PQJVTWRBDVUXKI-UHFFFAOYSA-N 385.395 -0.088 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 1342057799 XNXWXLFDFLHBSH-UHFFFAOYSA-N 394.384 -0.593 5 20 GBBD NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 1817071118 KMSCCXBVQSDRAC-BQBZGAKWSA-N 394.417 -0.714 5 20 GBBD C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1)n1cnnn1 1848163659 QRHMDGQVWJMKLE-WXHSDQCUSA-N 389.376 -0.759 5 20 GBBD C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCNC1=O 23225456 AIXYKZNIMNOKDU-SECBINFHSA-N 392.324 -0.196 5 20 GBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 272991835 NGVALDQXUZAOIU-ZIAGYGMSSA-N 390.352 -0.022 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C 274091308 RTKDUWINRSGOIJ-LLVKDONJSA-N 392.411 -0.136 5 20 GBBD C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H](C)CN1 423650020 KGPSZTHYRLWFJO-CHWSQXEVSA-N 376.417 -0.153 5 20 GBBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424444199 ZHCDBYZKVDGYMK-SNVBAGLBSA-N 389.317 -0.617 5 20 GBBD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 487118860 MOQJQZDYMHQXCS-GHMZBOCLSA-N 394.384 -0.103 5 20 GBBD CN(Cc1nncn1C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 487159878 UIDRXHXMYLXAPT-UHFFFAOYSA-N 397.417 -0.157 5 20 GBBD CN1CCN(C)[C@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 518975504 CUQNDUDVOYPMJS-LLVKDONJSA-N 386.430 -0.110 5 20 GBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])CC1 542839281 XKBSBJMDMVIKLR-UHFFFAOYSA-N 390.356 -0.763 5 20 GBBD CS(=O)(=O)N[C@H]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 598591127 TXFGHRJEZFYPMT-NSHDSACASA-N 386.434 -0.261 5 20 GBBD CCN1CCN(C(=O)CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 598593290 QTWCJXMGIGRFBH-UHFFFAOYSA-N 379.421 -0.203 5 20 GBBD NC1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOCC1 599964157 QDJRXEINLRXQBF-UHFFFAOYSA-N 392.416 -0.738 5 20 GBBD O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCCCN1C(=O)CNC1=O 733406958 NINJYTKLPMWDIX-UHFFFAOYSA-N 390.308 -0.324 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1-c1nn[nH]n1 826499902 DEYFEAWJYWEAAB-ZETCQYMHSA-N 388.387 -0.760 5 20 GBBD NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)C2CC2)CC1 858682452 LXCRVFVETGVVGZ-UHFFFAOYSA-N 390.443 -0.144 5 20 GBBD CNC(=O)NC[C@H]1CN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CCO1 863289010 VVCUMTINQRRASQ-ZDUSSCGKSA-N 392.372 -0.001 5 20 GBBD CN(CCCNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])S(C)(=O)=O 1261668736 PLBSGDPDPZDPCN-UHFFFAOYSA-N 386.430 -0.349 5 20 GBBD C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O 1327435669 IGAJJISBJSRBNX-NSHDSACASA-N 384.414 -0.297 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21)c1nc[nH]n1 1787222805 QEPHOCWBKWFWFB-NHCYSSNCSA-N 389.372 -0.052 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793659254 AUCPHCOGKGDMTL-FVCCEPFGSA-N 392.416 -0.059 5 20 GBBD Cc1n[nH]cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796404739 VYKCWOVIRJCBFY-PEGIJTEDSA-N 389.372 -0.134 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756408 YDNOWEHQEMSQHA-HNNXBMFYSA-N 397.363 -0.110 5 20 GBBD O=C1NC(=O)[C@H](CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)N1 1844827856 NQNWUDNUQMNGFP-JTQLQIEISA-N 390.356 -0.662 5 20 GBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(N)(=O)=O)CC1 263722863 OAYMMDFYRXHVTB-SNVBAGLBSA-N 385.402 -0.939 5 20 GBBD C[C@@H](Cn1cncn1)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265305306 OGLGRZGUSIAKHQ-NSHDSACASA-N 397.417 -0.148 5 20 GBBD CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 267123641 FIRCTTTZWHSETD-UHFFFAOYSA-N 384.370 -0.174 5 20 GBBD CN1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 480169988 WOENETBHMFZHKL-ZDUSSCGKSA-N 384.414 -0.048 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(S(=O)(=O)CCO)cc1 508745792 GDCKSUVFLNOTMI-UHFFFAOYSA-N 395.393 -0.161 5 20 GBBD CN(C)C(=O)Cn1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 522856776 SBVGSKYMIJORFH-LLVKDONJSA-N 388.388 -0.004 5 20 GBBD CNC(=O)[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 542902154 NWQOVFGWKNHELU-NSHDSACASA-N 384.776 -0.049 5 20 GBBD COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]1(O)CCS(=O)(=O)C1 570105750 AGXYUWZBSMVKNX-GFCCVEGCSA-N 380.400 -0.569 5 20 GBBD CC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 599455337 MTKQWOAISYXXNQ-UHFFFAOYSA-N 384.414 -0.046 5 20 GBBD COc1ccc(C(=O)NCC(=O)NCc2nnnn2C2CC2)cc1[N+](=O)[O-] 610358614 DMIFBXBGALSEPX-UHFFFAOYSA-N 375.345 -0.029 5 20 GBBD CS(=O)(=O)CCOCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 741622760 TXUUKTZUWOUCLX-UHFFFAOYSA-N 399.381 -0.632 5 20 GBBD Cn1c(=O)c2c(ncn2CCOC(=O)c2cccc([N+](=O)[O-])c2N)n(C)c1=O 758954667 BPAQRYDTXSOQNH-UHFFFAOYSA-N 388.340 -0.219 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)Cc2ccccc2-c2nn[nH]n2)n1 826362702 DXYUDOVLBNHTCL-UHFFFAOYSA-N 392.357 -0.232 5 20 GBBD CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 1326253957 HZTPXDYAXIJUFU-LBPRGKRZSA-N 376.369 -0.079 5 20 GBBD CN(C)C(=O)CN1CCN(c2nnc(-c3cnc(O)c([N+](=O)[O-])c3)n2C)CC1 1343517974 HQOMYDHBVMOXBZ-UHFFFAOYSA-N 390.404 -0.299 5 20 GBBD Cn1c(CCC[N+](=O)[O-])nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1345294766 VZFNECZJZVYFHE-UHFFFAOYSA-N 379.421 -0.705 5 20 GBBD CN1C[C@H](C(=O)O)N(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1=O 1606198209 SKPZISMFKFYJNF-CHWSQXEVSA-N 376.325 -0.158 5 20 GBBD COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1606362875 YNCZCHLIRRZDQU-NHPAQXRMSA-N 379.325 -0.380 5 20 GBBD C=CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412054 IDIGTLVDEZOYAY-JTQLQIEISA-N 376.373 -0.174 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1C(=O)CNC1=O 273517373 JILOMJGUBJHWPG-UHFFFAOYSA-N 386.342 -0.789 5 20 GBBD COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 274147420 XVSUKVNPKOHOEH-SNVBAGLBSA-N 378.384 -0.445 5 20 GBBD CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 287491147 YEKCVPCBPGARBH-AAEUAGOBSA-N 386.430 -0.019 5 20 GBBD CC(=O)N1CCN(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 298777301 RLXBYPRBKHBEML-UHFFFAOYSA-N 391.428 -0.005 5 20 GBBD COC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(=O)OC 416456940 NBOQCOAMESWBLJ-SNVBAGLBSA-N 376.343 -0.152 5 20 GBBD CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N1CCOCC1 421021511 OHVWQIQDPZLYKY-UHFFFAOYSA-N 386.430 -0.336 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)CN1CCOCC1 442030902 LPGDYQCIXZDQJH-QGZVFWFLSA-N 396.400 -0.259 5 20 GBBD CC(C)c1nnnn1CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 530591648 WMSRVFGHOMLDLD-UHFFFAOYSA-N 397.417 -0.201 5 20 GBBD Cn1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 583932128 WMQHGFRHAGVPMS-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 593630095 JTFUCYBTOONSSG-SECBINFHSA-N 379.416 -0.084 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(NS(C)(=O)=O)C1 599422386 OJMFAHOROHDSLR-UHFFFAOYSA-N 393.399 -0.697 5 20 GBBD CN(C)CCN(CC(=O)O)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 610890968 CZHFDZAJEZIFPZ-UHFFFAOYSA-N 380.357 -0.205 5 20 GBBD O=C(NCCN1C(=O)CNC1=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 733271213 SLSQOAORXSAXDZ-UHFFFAOYSA-N 377.357 -0.287 5 20 GBBD Cn1cc([N+](=O)[O-])c(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 772062322 WJGXOCWKWVROEN-UHFFFAOYSA-N 391.344 -0.678 5 20 GBBD Cc1nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C)c1[N+](=O)[O-] 798190334 ANAYNJAFWCYVSH-UHFFFAOYSA-N 380.405 -0.631 5 20 GBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C2 832795254 YHZLXYGCLSNDID-UHFFFAOYSA-N 392.347 -0.164 5 20 GBBD CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 854833174 OZDNBTWAFOELCC-UHFFFAOYSA-N 380.408 -0.952 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 919665148 ZVIFHPCOKGMEFN-UHFFFAOYSA-N 383.342 -0.147 5 20 GBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCC1(N2CCCC2)CCOCC1 1328631267 XRHSXIPZRDQRHS-UHFFFAOYSA-N 394.432 -0.331 5 20 GBBD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783364222 BXDYTXLMRSMQFN-OBJOEFQTSA-N 394.384 -0.083 5 20 GBBD C[C@]1(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCS(=O)(=O)C1 9084963 ROIRESWIMLMSJV-HNNXBMFYSA-N 381.366 -0.116 5 20 GBBD Nc1nc(N)nc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 26228404 MVHIEKARVGKVHN-UHFFFAOYSA-N 394.417 -0.549 5 20 GBBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC(=O)N1CCCC1 66889061 BIJAMBLFWIDMMA-UHFFFAOYSA-N 399.429 -0.205 5 20 GBBD COCCNC(=O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 264026148 YMHHQSODYOHUNG-UHFFFAOYSA-N 375.359 -0.593 5 20 GBBD O=C(NCCNC(=O)c1ccn[nH]1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 272629272 YKVONYCNWBJQGY-ZIAGYGMSSA-N 392.372 -0.559 5 20 GBBD Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1[N+](=O)[O-] 273036930 GSWCVHBOKPUANW-GFCCVEGCSA-N 378.385 -0.315 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 273261010 CDKLTXGIPKDLKD-YPMHNXCESA-N 385.398 -0.472 5 20 GBBD COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C(=O)OC)[C@@H](C)O 275714734 HJNMCKVPJDEYFH-RDDDGLTNSA-N 376.343 -0.418 5 20 GBBD O=C1N[C@]2(CCOC2)C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 277385922 NDCUMWDSOSHOHA-AWEZNQCLSA-N 384.370 -0.416 5 20 GBBD CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 296188478 VOSBNDLWUJBKSK-UHFFFAOYSA-N 386.839 -0.078 5 20 GBBD Cc1cc(F)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 296719706 CDZOTFLIOYAVGG-VIFPVBQESA-N 393.331 -0.850 5 20 GBBD C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 298527801 AHBLQCAXGPUVIW-GFCCVEGCSA-N 375.385 -0.410 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 411674396 NWZYIFBEOQVLAW-LBPRGKRZSA-N 380.357 -0.095 5 20 GBBD O=C(N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@@]1(O)CCOC1 413034449 MPWUKMUKCQBRLW-OAHLLOKOSA-N 385.398 -0.421 5 20 GBBD COC[C@@]1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCNC1 423095204 LPTZPEZSTCMHDG-OAHLLOKOSA-N 386.430 -0.385 5 20 GBBD CCc1[nH]nc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1[N+](=O)[O-] 444262056 UIASDQCTCWORML-UHFFFAOYSA-N 377.361 0.188 5 20 GBBD NC(=O)CC1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 480797900 XNWCUEHQAQWOHP-UHFFFAOYSA-N 384.414 -0.073 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C1CCOCC1 525825881 NQKYYPUZHAHPFX-CQSZACIVSA-N 387.414 -0.223 5 20 GBBD CN(C)C(=O)NCCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 537509610 SIGXKIUOJOLTSE-UHFFFAOYSA-N 387.418 -0.397 5 20 GBBD O=C(NCc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CCNCC2)C1 562796764 BWNQTDDRDXAVDV-UHFFFAOYSA-N 383.430 -0.276 5 20 GBBD COc1ccc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] 569710148 OMMWLIOFABOHPO-LBPRGKRZSA-N 380.400 -0.569 5 20 GBBD COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] 599500364 LRFAKAQATMNWJI-VIFPVBQESA-N 387.370 -0.354 5 20 GBBD O=C(O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 610891913 KIZMEEJDSXRRBB-LBPRGKRZSA-N 387.370 -0.425 5 20 GBBD C[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 611090974 AULQPPSZPAKUAS-JTQLQIEISA-N 393.443 -0.188 5 20 GBBD CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O 619736340 MMVSWWNGDHRFRG-UHFFFAOYSA-N 375.341 -0.336 5 20 GBBD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCCn1cc([N+](=O)[O-])cn1 786491429 RRVMDNMDUCOJGP-RFHZTLPTSA-N 378.341 -0.113 5 20 GBBD C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1c1ncc([N+](=O)[O-])c(N)n1 820804681 XLNNKOKRGKZGPI-MRVPVSSYSA-N 384.364 -0.348 5 20 GBBD C[C@@H](C(=O)OCC(=O)NCC(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 820912686 MCWNRILUDYTXTO-ZETCQYMHSA-N 379.281 -0.677 5 20 GBBD O=[N+]([O-])c1ccc(N2C[C@@H](O)[C@H](CO)C2)c(S(=O)(=O)N2CCOCC2)c1 845563801 IYRGQTVSUYAWCL-SMDDNHRTSA-N 387.414 -0.595 5 20 GBBD C[C@@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)n1cccn1 847894390 KINLUDLOXISSLH-JTQLQIEISA-N 396.385 -0.289 5 20 GBBD CCN1CCN(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C(=O)C1=O 917443652 FDXLAKLKNMRSQP-UHFFFAOYSA-N 398.397 -0.601 5 20 GBBD COCCN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1116999200 QBCSHSXLQPSGNM-AWEZNQCLSA-N 399.425 -0.127 5 20 GBBD N=C1NCCN1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796849902 IDCAQCYUPIXYTK-JGPRNRPPSA-N 390.404 -0.590 5 20 GBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797148384 RNCNUFPDKDTHLM-JSBBFPJPSA-N 379.373 -0.708 5 20 GBBD NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1835551352 GYJOESAYLZAXFE-QGZVFWFLSA-N 396.375 -0.237 5 20 GBBD COC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848162414 WXMVSJOCNXBIPY-STQMWFEESA-N 379.373 -0.054 5 20 GBBD C[C@@H]1CN(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 26776633 MYFJLMDAEKTAHG-VXGBXAGGSA-N 388.450 -0.196 5 20 GBBD O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1)OCCO2 263989255 JLBMPQHRCRXHHV-QMMMGPOBSA-N 378.384 -0.169 5 20 GBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C(=O)NC[C@H]1CCS(=O)(=O)C1 436775773 YBFXPJKNCLHGIG-VHSXEESVSA-N 385.398 -0.030 5 20 GBBD CCn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 445041468 YZNTWPIDOAUFIN-ZJUUUORDSA-N 395.463 -0.050 5 20 GBBD CCn1cc(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CCN)c([N+](=O)[O-])n1 447250537 NFTPPCYVALYGNR-LLVKDONJSA-N 388.450 -0.181 5 20 GBBD COc1cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)ccc1[N+](=O)[O-] 468933741 LZWTURAQPKTQGE-UHFFFAOYSA-N 379.416 -0.037 5 20 GBBD CCN1CCOC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 540468916 BHCBMVSLRCFPJE-AWEZNQCLSA-N 386.430 -0.290 5 20 GBBD CN(CC(=O)NC[C@@H]1CNCCCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 582300469 JATJVXUBWHBZMX-ZDUSSCGKSA-N 386.430 -0.290 5 20 GBBD CN(C)C[C@@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 588865180 XZYFEAALBLBPNZ-JTQLQIEISA-N 389.434 -0.917 5 20 GBBD CON(C)C(=O)[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 863626159 ZZSPRFSJTUJGHS-JTQLQIEISA-N 388.402 -0.212 5 20 GBBD O=C(NC[C@H]1COCCO1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1322301318 FXYFVKKAGHXJEB-HNNXBMFYSA-N 378.385 -0.225 5 20 GBBD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)O1 1323044107 HAWHHZRWYKCDSY-KGLIPLIRSA-N 378.385 -0.037 5 20 GBBD CO[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H]1OC 1328570944 IXGOSUZBORZKRJ-OKILXGFUSA-N 393.400 -0.489 5 20 GBBD NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1842880695 RWAIWABAVZWBOR-JTQLQIEISA-N 378.389 -0.667 5 20 GBBD NS(=O)(=O)NC[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 273356800 PZFHABDTFQPLIL-OLZOCXBDSA-N 388.446 -0.160 5 20 GBBD O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 273550111 YLHSQPGKTXNLHM-UHFFFAOYSA-N 396.425 -0.153 5 20 GBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 273907547 AJFVKRWWLDADTA-LBPRGKRZSA-N 392.411 -0.136 5 20 GBBD CNS(=O)(=O)c1ccc(NCCn2cc(C(=O)OC)nn2)c([N+](=O)[O-])c1 286394936 JKHZZAITWDHNMV-UHFFFAOYSA-N 384.374 -0.007 5 20 GBBD NC(=O)c1cn(C2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C2)nn1 378549665 MWNOOXXBBRFQAN-UHFFFAOYSA-N 380.386 -0.286 5 20 GBBD NCC(F)(F)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 420164837 GSVWXBQVMSCEQY-UHFFFAOYSA-N 394.356 -0.805 5 20 GBBD COc1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1[N+](=O)[O-] 507943250 ZTHZMSSFOZHDDB-LSDHHAIUSA-N 385.442 -0.121 5 20 GBBD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 517082320 YNOSYYLFWVFNSM-UHFFFAOYSA-N 396.385 -0.546 5 20 GBBD O=C1C[C@H](N(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C2CC2)C(=O)N1 524276090 SOCGTAWILWKJEL-LBPRGKRZSA-N 388.336 -0.274 5 20 GBBD COC(=O)C1(O)CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 537706152 PBMOSNLESGEZSN-UHFFFAOYSA-N 394.384 -0.080 5 20 GBBD CN(CC(=O)N1CC[C@@H](CO)[C@H](O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 545987358 HKCQLKMXFWIDOG-SMDDNHRTSA-N 387.414 -0.583 5 20 GBBD O=C(NC[C@H]1CCCCN1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 591418752 LDIBAQROSXCKPQ-CYBMUJFWSA-N 376.417 -0.103 5 20 GBBD CCn1cc(S(=O)(=O)N(CCN(C)C)CC(=O)N(C)C)c([N+](=O)[O-])n1 594845804 ZZYHZLXZQKRCCE-UHFFFAOYSA-N 376.439 -0.548 5 20 GBBD Cc1[nH]nc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 609522552 ZNRYCHHHYADVGB-LBPRGKRZSA-N 380.405 -0.369 5 20 GBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCN(CCN2CCOCC2)C1 609668309 MPHPWRCSMYQCTH-CQSZACIVSA-N 379.417 -0.721 5 20 GBBD Cc1nc(Cn2cc(C(=O)OCCn3cc([N+](=O)[O-])ccc3=O)nn2)no1 787155035 IKLPKKOYLQDNDV-UHFFFAOYSA-N 375.301 -0.055 5 20 GBBD CS(=O)(=O)c1ccc(C(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 803325471 NKGXLRVUWYMFNJ-UHFFFAOYSA-N 395.349 -0.019 5 20 GBBD O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 1258340797 QBKGQGXXRNHISB-NSHDSACASA-N 376.369 -0.031 5 20 GBBD CCCN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1590626724 ZHCKHIGSXORTSL-ZYHUDNBSSA-N 376.377 -0.172 5 20 GBBD O=C(c1ncccn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383455 PQDNBKGOQRAIQX-MRXNPFEDSA-N 387.356 -0.135 5 20 GBBD O=C(Cc1cc[nH]n1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779388899 KUICNDZKSGCAFS-MRXNPFEDSA-N 389.372 -0.273 5 20 GBBD CC(C)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1795712589 URKLEWAAKJSBMF-JJLQDPRZSA-N 394.432 -0.091 5 20 GBBD Nc1n[nH]c(CCC(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)n1 1843389880 NPQIAZUVFKEQET-UHFFFAOYSA-N 389.376 -0.532 5 20 GBBD N=C1NCCN1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])o1 1847168510 OPWCGTFVYRNRQV-QWRGUYRKSA-N 376.373 -0.157 5 20 GBBD NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 273638975 BNHKCKNDXPZTOQ-SNVBAGLBSA-N 375.384 -0.116 5 20 GBBD COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 277096456 LXMUGEDORNYSLV-UHFFFAOYSA-N 375.345 -0.426 5 20 GBBD CN(CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O 294351802 AZNFPZZIIIVVBQ-UHFFFAOYSA-N 384.414 -0.229 5 20 GBBD O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCNCC1 423614559 STDQEKIKHGNXQT-UHFFFAOYSA-N 389.412 -0.299 5 20 GBBD CCn1cc(S(=O)(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)c([N+](=O)[O-])n1 447842739 CPBLZNCICJPCTB-VXGBXAGGSA-N 392.434 -0.154 5 20 GBBD CN(C)S(=O)(=O)NCCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 450523583 IHBJHOHTOSUVPA-UHFFFAOYSA-N 395.463 -0.347 5 20 GBBD O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CCN1 497637904 OTDXDFLCLAMCCE-UHFFFAOYSA-N 394.369 -0.309 5 20 GBBD C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 546899481 UGCSOPXMCCGPQL-VXGBXAGGSA-N 386.434 -0.139 5 20 GBBD O=C(O)C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 548253396 JNZMMFRWZRSUNS-LBPRGKRZSA-N 392.411 -0.002 5 20 GBBD CN(CCCC(=O)O)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 582414678 WQTWIBVCYNRTIY-UHFFFAOYSA-N 379.373 -0.038 5 20 GBBD C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 591572152 WLHCNWDKKCMMOY-CZUORRHYSA-N 391.428 -0.182 5 20 GBBD Cc1c(C(=O)OCCn2cc([N+](=O)[O-])cn2)cnc2c1c(=O)n(C)c(=O)n2C 748418126 YPOGCNKJLNNHKN-UHFFFAOYSA-N 388.340 -0.098 5 20 GBBD C[C@H]1CN(C)C(=O)CN1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 782974136 ULSSFQJYQMGRGX-NSHDSACASA-N 399.429 -0.255 5 20 GBBD COC(=O)[C@](C)(CO)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 852158494 XDLIAXOCOSERNK-KRWDZBQOSA-N 380.401 -0.243 5 20 GBBD CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 919520012 WTNMRWSQIVCGAA-JTQLQIEISA-N 383.361 -0.080 5 20 GBBD CN(CCCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 1328670723 KUJBRBWRSAYBLR-UHFFFAOYSA-N 386.430 -0.349 5 20 GBBD Cn1cc(N2CCN(c3ccc([N+](=O)[O-])c(N)c3-c3nn[nH]n3)CC2=O)cn1 1592576419 UEYJAEFMWINPHV-UHFFFAOYSA-N 384.360 -0.056 5 20 GBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)NCCCN2CCOCC2)c1 1593474645 RJSNSAYBORLLEW-UHFFFAOYSA-N 397.417 -0.225 5 20 GBBD CC[C@@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1786970405 GKAMATSNWQCIHZ-FMSGJZPZSA-N 394.432 -0.091 5 20 GBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cn[nH]c1 1796572366 XGYAVCXVNQJLTQ-PEGIJTEDSA-N 375.345 -0.442 5 20 GBBD Cc1cc(C(=O)NCC(=O)OCc2cc(=O)n(C)c(=O)n2C)ccc1[N+](=O)[O-] 10497402 IITRICOOECSHBA-UHFFFAOYSA-N 390.352 -0.226 5 20 GBBD O=[N+]([O-])c1c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2sccn12 270873771 AFQLPRLSFPCLAA-NXEZZACHSA-N 387.443 -0.416 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](OC)C(=O)OC 291970347 QKUOCIKTXNVRBH-SNVBAGLBSA-N 376.343 -0.152 5 20 GBBD NC(=O)CN1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 363630035 LHOHENICRBHCST-UHFFFAOYSA-N 389.368 -0.790 5 20 GBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCCN1CC2 372353916 BWDZHUIHEACQSP-OAHLLOKOSA-N 397.457 -0.621 5 20 GBBD CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 497038139 ZIQWMHSNWVSGLE-AWEZNQCLSA-N 390.400 -0.059 5 20 GBBD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 576221339 BQKJLDFMPVQXIY-OFQRWUPVSA-N 380.449 -0.175 5 20 GBBD CN1C(=O)COc2cc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)ccc21 584151550 LVSUAPZCQWUDQJ-UHFFFAOYSA-N 388.340 -0.099 5 20 GBBD CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 595130115 BOJIMFFFSZUSJY-AWEZNQCLSA-N 393.400 -0.488 5 20 GBBD CN(CC(=O)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])S(C)(=O)=O 920331201 DRKIEUDVAOBBTI-UHFFFAOYSA-N 385.807 -0.056 5 20 GBBD O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)NCC(=O)N1CCCC1 921630051 CHQCVUYNWDVCDH-UHFFFAOYSA-N 392.368 -0.394 5 20 GBBD COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419264 OVBQKPZLTZFIFL-INIZCTEOSA-N 395.372 -0.278 5 20 GBBD CO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813327 HGXMCKXUWZRHCV-BLFANLJRSA-N 381.389 -0.054 5 20 GBBD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1800512690 IHHOSKYMZPFILV-QHBPRCKVSA-N 379.373 -0.738 5 20 GBBD COC[C@H](C)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265398429 JSYCAHMQGZSZNV-JTQLQIEISA-N 381.432 -0.173 5 20 GBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1O 269123108 JTQMVCQKGYDMJC-DGCLKSJQSA-N 385.398 -0.472 5 20 GBBD C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(=O)N1 297186350 XKNZHVBWKJYPAH-VIFPVBQESA-N 385.402 -0.609 5 20 GBBD C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H]1CO 297777003 LBTFHJCNMNAEPM-GXTWGEPZSA-N 377.401 -0.132 5 20 GBBD C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)N2CCNC(=O)C2)C1=O 298389543 DSTJGEUCYVZBGA-MRXNPFEDSA-N 375.341 -0.680 5 20 GBBD Cc1nn(C)c(-c2nc(CC(=O)NCCN3CCOCC3)no2)c1[N+](=O)[O-] 350682250 UWRHPQKNGSZLNW-UHFFFAOYSA-N 379.377 -0.322 5 20 GBBD COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 447936264 NPPLUZVPHJJYRV-VIFPVBQESA-N 377.762 -0.090 5 20 GBBD CN(CC(N)=O)C(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 551698595 JWJNXHRMOFHDPI-UHFFFAOYSA-N 387.352 -0.048 5 20 GBBD NC(=O)C[C@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 600681353 HFBJYOXPYRNEIX-JTQLQIEISA-N 382.398 -0.111 5 20 GBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 619476841 RNSOAMBDGSJYCG-UHFFFAOYSA-N 386.430 -0.002 5 20 GBBD CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 732620720 YKFBDSVAVZNMNK-MRVPVSSYSA-N 383.429 -0.115 5 20 GBBD CN1CCC[C@@H](OC(=O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 778763321 HFGWNHNMMWFEDV-GFCCVEGCSA-N 386.386 -0.182 5 20 GBBD C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 1323905286 LTWLZGNACJGRKE-BFQNTYOBSA-N 381.389 -0.298 5 20 GBBD CCN(C(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)[C@@H]1CCS(=O)(=O)C1 1590667255 VTWFUBXEYCMHQY-DTWKUNHWSA-N 398.405 -0.432 5 20 GBBD COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779395071 LVGOYPFFNRHFFW-OAHLLOKOSA-N 396.360 -0.883 5 20 GBBD CCOCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824188 MXXRHKOTUVOQFE-UHFFFAOYSA-N 378.385 -0.004 5 20 GBBD O=C(COc1ccc([N+](=O)[O-])cc1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 43057700 OGZRZHTVMKBLAQ-LLVKDONJSA-N 385.398 -0.217 5 20 GBBD COCCOCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 265270086 FVXKFIFUKBGWLS-UHFFFAOYSA-N 390.418 -0.165 5 20 GBBD CC(C)NS(=O)(=O)NCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 277274346 YELZBIRKKVQBBE-UHFFFAOYSA-N 397.417 -0.262 5 20 GBBD CCC[C@H](O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 414017160 KKCDCWXGVUNYGC-KGLIPLIRSA-N 389.430 -0.099 5 20 GBBD Cc1sc(S(=O)(=O)N2Cc3nnc(O)n3C[C@H]2C(=O)O)cc1[N+](=O)[O-] 424393894 RWONLKDDAJANLG-ZETCQYMHSA-N 389.371 -0.080 5 20 GBBD CNC(=O)C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 455467808 QLFJHGBSAMNHBH-SNVBAGLBSA-N 387.418 -0.303 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCn2ncnc2C1 474846543 VXYRQPORGRFEOK-UHFFFAOYSA-N 380.386 -0.103 5 20 GBBD CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 513305747 XXTFEFFCJPGWOQ-UHFFFAOYSA-N 387.370 -0.511 5 20 GBBD O=C(CCOc1ccccc1[N+](=O)[O-])NCC(=O)NCCN1CCOCC1 520365327 HDCGHKIOWMDSGU-UHFFFAOYSA-N 380.401 -0.072 5 20 GBBD COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)c1cc([N+](=O)[O-])ccc1O 598904170 ITXZPLHVVAVZHQ-ONGXEEELSA-N 392.324 -0.392 5 20 GBBD O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ncn(CC(=O)N2CCCCCC2)n1 608849543 HPYGRRCLNSAEGG-UHFFFAOYSA-N 377.365 -0.181 5 20 GBBD O=C(O)c1cn(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 833339629 HJXRGZHQSJXHNH-UHFFFAOYSA-N 388.340 -0.131 5 20 GBBD CS(=O)(=O)c1ccc(NCCNC(=O)C2=NO[C@H](CN)C2)c([N+](=O)[O-])c1 852807042 OXWKHQVQZFUFCA-VIFPVBQESA-N 385.402 -0.370 5 20 GBBD CN1CCN(C(=O)CCNC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 1117036820 UDQOKKZJJXUGCI-UHFFFAOYSA-N 391.428 -0.167 5 20 GBBD CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1321781387 XJUCSKSLGJOHKJ-UHFFFAOYSA-N 378.385 -0.429 5 20 GBBD C[C@@H]1CN(CCCNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCO1 1324039851 VBQGOZNNNLKEOD-CYBMUJFWSA-N 382.421 -0.475 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCO[C@@H]2CCOC2)c1-c1nn[nH]n1 1593485170 LKHOXXYPNGYJTA-SECBINFHSA-N 384.374 -0.141 5 20 GBBD O=C(c1cc(O)n[nH]1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380004 RQGRVOSKQXNYJH-HNNXBMFYSA-N 391.344 -0.496 5 20 GBBD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780413697 DAXHASPERYIGNH-PIGZYNQJSA-N 393.400 -0.122 5 20 GBBD O=C(c1ccc(O)nn1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998878 AWKHFVZHFDMHJV-UHFFFAOYSA-N 387.356 -0.196 5 20 GBBD C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 62886057 BZTOOIAEPQBUTN-JTQLQIEISA-N 385.398 -0.025 5 20 GBBD CN1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 266203789 IOKNOLYEJUBHMT-AWEZNQCLSA-N 398.441 -0.242 5 20 GBBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 276182153 AUWQENTVLPRFSH-KSSFIOAISA-N 390.396 -0.043 5 20 GBBD CN1CCN(CCCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 281171175 MUEMHKICGDYMTL-UHFFFAOYSA-N 399.473 -0.373 5 20 GBBD NS(=O)(=O)CCOCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 288854054 FIJKWKFEBMDSTJ-UHFFFAOYSA-N 381.432 -0.638 5 20 GBBD COC(=O)Cn1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 437325727 MLFFVDCEYFVBKH-UHFFFAOYSA-N 399.341 -0.069 5 20 GBBD CN(CC(=O)N1CCn2cnnc2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 523086020 DAZABVWIFMJSLR-UHFFFAOYSA-N 380.386 -0.151 5 20 GBBD CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 545880771 VBIHNEPJEWJACA-QGZVFWFLSA-N 394.384 -0.123 5 20 GBBD COc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)O)cc1[N+](=O)[O-] 547930597 UWKLJCGRPDGTQW-SDWAUSNYSA-N 378.384 -0.190 5 20 GBBD COCCN(C)CCN1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1=O 588878952 DIBJHOQKSWNVSQ-CYBMUJFWSA-N 395.416 -0.948 5 20 GBBD CC(C)NS(=O)(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 596501661 DTGQLONPEXBSEW-UHFFFAOYSA-N 389.438 -0.639 5 20 GBBD CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1=O 599247383 BKTZPGGDBACTCR-ISVAXAHUSA-N 386.390 -0.673 5 20 GBBD Cc1cc(N2CC[C@@H](NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C2=O)n(C)n1 599250863 RXOFEDOBYPNUHM-SECBINFHSA-N 383.390 -0.546 5 20 GBBD COC(=O)/C=C1\SCC(=O)N1CCCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 745337743 LUUQDKDSODBJDR-SDQBBNPISA-N 396.381 -0.165 5 20 GBBD C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 788531182 UZQJQWDOCCDLKI-MFKMUULPSA-N 398.397 -0.075 5 20 GBBD Nc1nccc(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)c1[N+](=O)[O-] 848788229 VMQOYVHYPUWLNM-UHFFFAOYSA-N 387.356 -0.132 5 20 GBBD Cn1cc(N2C[C@@H](C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])nc3)CC2=O)cn1 860589834 ODQAXKOMLDONGB-VIFPVBQESA-N 394.369 -0.419 5 20 GBBD C[C@H](C(=O)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])n1nnnc1C(C)(C)C 861326867 QHDZBWJJZBZHPZ-SSDOTTSWSA-N 386.394 -0.322 5 20 GBBD O=C(NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccnc1OCc1cnn[nH]1 1578009237 LNJMMMZAJOJMNS-VXGBXAGGSA-N 375.345 -0.710 5 20 GBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)C1CC(O)C1 1783997180 GWEFIPLGSKMJMI-JSPGJAJPSA-N 393.400 -0.318 5 20 GBBD CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800533957 YWSBFXOZHNXZDN-GMTLJSCSSA-N 394.388 -0.954 5 20 GBBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C(N)=O)C2)cc1OC 50855154 ZCOFZLJYNJMLQO-AWEZNQCLSA-N 383.357 -0.045 5 20 GBBD O=C1[C@@H]2COCCN2C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 272134543 KWSWROPPQYEXHH-NSHDSACASA-N 384.370 -0.464 5 20 GBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 277299336 BAOOOQOSPKDAGQ-UHFFFAOYSA-N 397.417 -0.254 5 20 GBBD NC(=O)[C@@]1(O)CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 286430955 MXFLINABSIIPSA-LLVKDONJSA-N 394.203 -0.032 5 20 GBBD COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 457245160 XIZRHCKKOCOOBQ-STQMWFEESA-N 380.357 -0.471 5 20 GBBD Cn1cc(C(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc23)c(O)nc1=O 550185016 LWRSYHZTXWEVSN-UHFFFAOYSA-N 399.367 0.569 5 20 GBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 565672174 UOZFIALILQPVJT-GHMZBOCLSA-N 377.357 -0.688 5 20 GBBD Cn1ncnc1CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 600059188 RCENCJGWQUTWTD-UHFFFAOYSA-N 382.402 -0.249 5 20 GBBD NS(=O)(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 600548635 ORTHGYRAMJDELJ-UHFFFAOYSA-N 386.386 -0.236 5 20 GBBD O=C(Cn1ccccc1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609736836 NZCCPJHKCJZYJV-UHFFFAOYSA-N 380.382 -0.149 5 20 GBBD Cn1nccc1S(=O)(=O)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 765661543 IUMOIAXZSDEQKP-UHFFFAOYSA-N 396.385 -0.367 5 20 GBBD CN(C)CCOCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 807816342 BGDAOOKREVPAJT-UHFFFAOYSA-N 393.444 -0.062 5 20 GBBD O=C(CCn1cnccc1=O)N(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 861404985 HJTRPBSDINCAMR-UHFFFAOYSA-N 396.381 -0.249 5 20 GBBD O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N(Cc1cnn[nH]1)[C@H]1CCS(=O)(=O)C1 1578028814 MKOGQCJKUBPBJN-ZETCQYMHSA-N 389.781 -0.081 5 20 GBBD O=C(O)CN1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1595075358 OPWUWCRYBJSWLE-UHFFFAOYSA-N 390.352 -0.144 5 20 GBBD CC[C@H](NC)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779380510 WWDCIBHSQPSVEN-ZBEGNZNMSA-N 380.405 -0.241 5 20 GBBD O=C1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)CN1 1794277907 HACTXYCJUFIIEN-RVMXOQNASA-N 390.400 -0.434 5 20 GBBD CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795549350 OYTOBPCQPOIKID-UJPOAAIJSA-N 394.432 -0.106 5 20 GBBD O=C(CN(CCO)CCO)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844829744 ZZEZSAJWGSSKJI-UHFFFAOYSA-N 395.416 -0.974 5 20 GBBD Cn1cc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 66872691 UCCZDICZBZNBAP-UHFFFAOYSA-N 389.415 -0.415 5 20 GBBD CC(C)(CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NS(C)(=O)=O 68187872 GFNOZZHSAWGKGQ-UHFFFAOYSA-N 386.386 -0.053 5 20 GBBD O=C1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 265372679 YIBVCLOGTIJAPK-UHFFFAOYSA-N 385.402 -0.595 5 20 GBBD COC[C@H](O)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 270808078 CLJOIBKEGZKQHS-GFCCVEGCSA-N 375.403 -0.271 5 20 GBBD CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 272976524 UHLNYXYJPNWJEX-UHFFFAOYSA-N 388.402 -0.013 5 20 GBBD CCN(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 274818033 PTVRLRMIJZEMQN-UHFFFAOYSA-N 387.418 -0.349 5 20 GBBD CS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 281387831 GEHPLXLYAQVZCZ-UHFFFAOYSA-N 375.388 -0.432 5 20 GBBD COC[C@H](O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 498617202 RKDDLAOFTJLFFY-GFCCVEGCSA-N 375.403 -0.223 5 20 GBBD COC[C@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 525776635 NZOVAJNUVMOEEI-CQSZACIVSA-N 375.403 -0.271 5 20 GBBD CS(=O)(=O)CCCS(=O)(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 547890074 WIGMAFRQSASWBO-GFCCVEGCSA-N 394.427 -0.055 5 20 GBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)Nc1ccn(C)n1 597572822 SZBSGKFAEPRPMW-JTQLQIEISA-N 378.393 0.316 5 20 GBBD O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 600519803 FQEMYFJGYZLRCW-MNOVXSKESA-N 382.398 -0.247 5 20 GBBD CNc1ccc(S(=O)(=O)NCC(=O)OCc2nncn2C)cc1[N+](=O)[O-] 771855113 UOIQVFQSWISJTE-UHFFFAOYSA-N 384.374 -0.213 5 20 GBBD NC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)O 776444781 PWIWKZPDJVFNTC-SSDOTTSWSA-N 396.175 -0.036 5 20 GBBD Cc1cc(=O)c(C(=O)OCC(=O)NCC(=O)O)nn1-c1ccccc1[N+](=O)[O-] 820949408 YIWPDWNJJGGCAV-UHFFFAOYSA-N 390.308 -0.193 5 20 GBBD CCN(CC)C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 825405760 FDGFTJYDRPYLGT-UHFFFAOYSA-N 383.390 -0.078 5 20 GBBD O=C1COC[C@@]2(CNc3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])COCCN12 1582777276 OFTMBVQBERBVBU-CQSZACIVSA-N 376.333 -0.790 5 20 GBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN3CCOC[C@H]3C2)c1-c1nn[nH]n1 1593484194 QMWWIHJUOXOIQG-SNVBAGLBSA-N 395.401 -0.520 5 20 GBBD O=C(NCC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1606734470 GGNLYYWLXMTXGZ-DGCLKSJQSA-N 388.388 -0.172 5 20 GBBD CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840209655 WGVJOOCDAMXVGJ-BZNIZROVSA-N 397.388 -0.577 5 20 GBBD CC(C)CNC(=O)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1843432050 IXFVIAXWEQVKRN-UHFFFAOYSA-N 392.416 -0.233 5 20 GBBD O=C1OCCN1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1847693447 ZWCKESRLTYYPKJ-UWVGGRQHSA-N 378.345 -0.415 5 20 GBBD COC(=O)CNC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11387840 WQZMCKLBOWAXTK-UHFFFAOYSA-N 379.281 -0.977 5 20 GBBD CN(C)S(=O)(=O)N1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 27431813 WASXEMFARGLHEH-UHFFFAOYSA-N 397.457 -0.092 5 20 GBBD O=C(CCn1cc([N+](=O)[O-])cn1)NCCS(=O)(=O)N1CCSCC1 264387683 PIBFRRKYOQFPFQ-UHFFFAOYSA-N 377.448 -0.324 5 20 GBBD CCN(CC)C(=O)CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 269154144 PRKVFRBGZUUDSD-UHFFFAOYSA-N 381.437 -0.013 5 20 GBBD Cn1nnnc1N1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 372566948 TUSYNIJSMGEHGO-UHFFFAOYSA-N 388.388 -0.367 5 20 GBBD Cc1nc(N2C[C@H](C)O[C@H](CO)C2)nc(N2C[C@@H](CO)O[C@H](C)C2)c1[N+](=O)[O-] 468736061 FPWLMJTXTUGKEL-XWUBHJNHSA-N 397.432 -0.135 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 468818447 DDFWURBDKOJLGI-SECBINFHSA-N 393.399 -0.567 5 20 GBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)OC)[C@H](C)O 468987551 MPELMQFYUZVPAD-WRWORJQWSA-N 376.343 -0.418 5 20 GBBD NC(=O)N[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 536526658 NIOGKIBSLGOVLS-JTQLQIEISA-N 385.402 -0.468 5 20 GBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NC[C@](C)(O)CO 555085795 ZOXRHYQGPGBTJD-OTYXRUKQSA-N 375.403 -0.101 5 20 GBBD NC(=O)[C@H](CO)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 584426426 VHHUHGOQYCZQRB-QMMMGPOBSA-N 379.110 -0.225 5 20 GBBD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1nnnn1C1CC1 610303585 UCTAVDAZGYIBQR-UHFFFAOYSA-N 395.401 -0.099 5 20 GBBD Nc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] 611525134 FTJPRZKBZIJERK-UHFFFAOYSA-N 393.400 -0.823 5 20 GBBD CNS(=O)(=O)c1ccc(NCCOCCS(C)(=O)=O)c([N+](=O)[O-])c1 742413032 YDCBTWJDMXNQJG-UHFFFAOYSA-N 381.432 -0.024 5 20 GBBD NS(=O)(=O)c1c(N2CCN(C(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] 1317912215 XQHNWUSOXOOOIP-UHFFFAOYSA-N 399.429 -0.184 5 20 GBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840636069 GPECWQXEEVXGRZ-MRXNPFEDSA-N 379.373 -0.202 5 20 GBBD CS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848162175 MNLWBAZGDFAYHM-RYUDHWBXSA-N 385.402 -0.962 5 20 GBBD