smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1 82083045 IPSWKNBHEIVJFM-GFCCVEGCSA-N 494.451 4.052 5 1 JIBF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]([N+]3(C)CCOCC3)[C@@H]2OC(C)=O)C1 95562210 DCBWYYSKUHZJIF-LREWKDIRSA-N 476.678 4.348 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 587748058 SACLJNSRGMWJRN-YBTHPKLGSA-N 467.291 4.364 5 1 JIBF Cc1ccc(OC(F)(F)F)cc1[C@@H]1c2c(c3cccnc3c3ncccc23)N[C@@]2(O)COC(=O)[C@H]12 653687584 KXKYHLCVXOGWMG-YIGJPRQDSA-N 481.430 4.409 5 1 JIBF CC(=O)c1ccc2c(c1)[C@@H](c1c(F)ccc([N+](=O)[O-])c1F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962640676 WTJQSFKIRJIOCA-PXNSSMCTSA-N 476.432 4.411 5 1 JIBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccncc3)[C@@H]1C2 73140190 VTGYCLNFOBFNOU-AUSIDOKSSA-N 459.462 4.172 5 1 JIBF Cc1cc(C(=O)NCC[N+]2(C)CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 205655058 NDKHVTWNAWEXKU-UHFFFAOYSA-O 450.534 4.195 5 1 JIBF CC(=O)n1c2cccc(I)c2c2cc(-c3ccc([N+](=O)[O-])cc3)nnc21 299829007 YQIZUCROZHSSAQ-UHFFFAOYSA-N 458.215 4.424 5 1 JIBF CC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 586948474 IWVPGLAZPHNATR-UHFFFAOYSA-N 450.476 4.450 5 1 JIBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(c4ccccc4)CC1)[C@@H](C2)C3=O 587431866 HSRLLNXFRDKNEW-WXVAWEFUSA-N 471.513 4.419 5 1 JIBF O=C1C[C@@H](c2cc([N+](=O)[O-])cc(I)c2O)Oc2c1ccc1c2CCCC1 587501998 BGYGPCSQLXVANA-KRWDZBQOSA-N 465.243 4.490 5 1 JIBF CCOC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629094 IMXDHYDALLQFCY-SQHAQQRYSA-N 457.530 4.148 5 1 JIBF O=c1nc(N2C[C@H]3C[C@H]2CN3Cc2ccc(F)cc2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857578645 ALQCYRFERXFLKC-CABCVRRESA-N 480.443 4.186 5 1 JIBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H](C)C(C)C)cc1 774324 HBWGTHIYKQLLAH-CYBMUJFWSA-N 453.451 4.428 5 1 JIBF CN[C@@H]1C[C@H]2O[C@@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 28461553 YISMQBFJYDFMAL-FCHZLITKSA-N 452.514 4.180 5 1 JIBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccncc2[N+](=O)[O-])N1C(=O)c1ccc(Cl)cc1 963022147 OHHQJPOZGCVULZ-SIKLNZKXSA-N 476.876 4.366 5 1 JIBF CC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 95569631 HCPJMNLUQWCEMK-GOSISDBHSA-N 489.502 4.479 5 3 JIBF O=C1C[C@@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 603086 PHQUSKHDKPDYRN-PMOQBDJRSA-N 482.334 4.452 5 1 JIBF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4206819 OPXXQHGSWMJRSJ-PZJWPPBQSA-N 461.902 4.274 5 1 JIBF COC(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1OC 587057940 YLBJAUJXLHTNBV-INIZCTEOSA-N 460.874 4.047 5 1 JIBF CCOC(=O)[C@@](Cc1ccccc1)(Nc1ccc(OC)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 206047466 KGGGOODFNUMBAB-ZCYQVOJMSA-N 450.491 4.294 5 3 JIBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1c(F)cccc1Cl)c1cccc2c1OCCO2 169337277 SQOFOXGLQDLORS-FPLPWBNLSA-N 473.844 4.382 5 1 JIBF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 586969800 OGVIMAZEKIXDAK-ZIAGYGMSSA-N 450.524 4.320 5 1 JIBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c21 587469865 HNVDLOSWMVHTBD-AREMUKBSSA-N 473.437 4.405 5 1 JIBF O=C1NC(=O)c2c1c1c3ccc(Br)cc3[nH]c1c1c2c2cccc3c2n1C[C@@H](CO)C3 14945605 WJKMSWAGLOGXLK-JTQLQIEISA-N 474.314 4.240 5 1 JIBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 587266598 LHVVRSJDQSVJHO-WSVYEEACSA-N 459.422 4.010 5 1 JIBF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCn1c([N+](=O)[O-])cnc1C 587431921 RRRLENIHZRNGAX-IQGLISFBSA-N 479.489 4.075 5 1 JIBF O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 27761077 HEMGORMJZTVDGN-KTZMUZOWSA-N 495.557 4.197 5 1 JIBF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cc1 586931397 SLXTZAHTTQKKHQ-UHFFFAOYSA-N 467.463 4.180 5 1 JIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O 587473481 VYMBPVUNTFSLEI-HXPMCKFVSA-N 459.451 4.210 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C(F)(F)F)cc12 101046678 BGMFAXNBXUEDNN-RCDICMHDSA-N 491.422 4.147 5 1 JIBF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cncc([N+](=O)[O-])c2[nH]1 586996361 LEDMLIQCKLJUOC-CQSZACIVSA-N 476.331 4.307 5 1 JIBF Cc1onc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079096 HEUIUWZYOJSQEQ-UHFFFAOYSA-N 477.737 4.382 5 1 JIBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587744824 FXXFFMLAKZIQSU-YEJXKQKISA-N 465.319 4.422 5 1 JIBF COCCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 82135629 NKTZWPBKOFZQEJ-UHFFFAOYSA-N 455.902 4.084 5 1 JIBF CCOc1ccc(CCNc2ncc(C(=O)N(C)CC)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82136188 QNZSUMWSTDDTQD-UHFFFAOYSA-N 479.537 4.206 5 1 JIBF Cc1ccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)c([N+](=O)[O-])c1 96928626 XHYAAXVZYUNWFE-UHFFFAOYSA-N 459.582 4.394 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943499 FPJNJGZIACEHON-UHFFFAOYSA-N 498.442 4.310 5 1 JIBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 773389 SUJWHTPQOPBJKB-AEFFLSMTSA-N 485.468 4.106 5 1 JIBF O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 3933598 LLPYCIXHQOFZRV-FRQRHGNXSA-O 473.709 4.465 5 1 JIBF CN1CCN(c2ccc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3c2)CC1 587118979 STOLSLDBRZLNLX-UHFFFAOYSA-N 485.470 4.154 5 1 JIBF Cc1ccc(Cl)cc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1 2462751 VFQHOJSVXXQZDZ-MOPGFXCFSA-N 467.890 4.371 5 1 JIBF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@H](O)C[N+](C)(C)C[C@H]1CO1 299823458 DRSIARPQBQOMIB-WUFNINHHSA-N 458.663 4.200 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587053882 HKHFCUVSSBRPGW-INIZCTEOSA-N 462.806 4.068 5 1 JIBF O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 8666494 YQVXIZKDSRAPOD-MRXNPFEDSA-N 461.318 4.442 5 3 JIBF COc1ccccc1CCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1 82136037 UZDSPUNJANWNEF-UHFFFAOYSA-N 475.549 4.269 5 1 JIBF O=C(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024158 OTDRUAGEBZYSMY-UHFFFAOYSA-N 452.503 4.144 5 1 JIBF O=C(c1ccccc1)c1[nH]c2ccccc2c1Nc1nc(N2CCSCC2)ncc1[N+](=O)[O-] 1772608983 ULGBJDYZSWAREJ-UHFFFAOYSA-N 460.519 4.394 5 1 JIBF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccc(F)cc3)n2)cc1[N+](=O)[O-] 82195408 XCTTWROVFPEZIL-SFHVURJKSA-N 456.499 4.151 5 1 JIBF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Cl 586962932 CLOZEJAMEYXITQ-UHFFFAOYSA-N 487.885 4.164 5 1 JIBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCCC[C@@H]2C(=O)O)ccc1[N+](=O)[O-] 13553378 RRCTYJWHENGISB-XNKSBNDBSA-N 461.559 4.454 5 1 JIBF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055158 JFBHBDCAALUNHX-FPOVZHCZSA-N 479.364 4.451 5 1 JIBF O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccccc1F)c1ccc([N+](=O)[O-])cc1 26650894 HSNWFDKBQQJTQE-VHEBQXMUSA-N 476.302 4.240 5 1 JIBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccncc3)[C@@H]1C2 73140195 VTGYCLNFOBFNOU-XXBNENTESA-N 459.462 4.172 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 586919753 GDXQVJNZSVEUKJ-UHFFFAOYSA-N 453.320 4.483 5 1 JIBF O=C(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1nnc(-c2ccncc2)s1 587024890 GMNCJXPNNQDJSF-UHFFFAOYSA-N 452.503 4.144 5 1 JIBF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4036947 AKGOYWCYCCJDBM-IFMALSPDSA-N 450.882 4.239 5 1 JIBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587265858 RWXRRUNYTSRSTQ-VIFPVBQESA-N 461.194 4.080 5 1 JIBF COc1cc(C(=O)Nc2ccc(-c3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc(OC)c1OC 82157354 DWRMVYZPAROPSM-UHFFFAOYSA-N 452.419 4.269 5 1 JIBF Nc1nn(Cc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 103261113 HXSBXMFIUGOXQS-UHFFFAOYSA-N 480.410 4.237 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969241 IWFRRCRIMVPVTH-UHFFFAOYSA-N 476.268 4.305 5 1 JIBF Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc21 587648545 HVFCMGOSMFZCKC-UHFFFAOYSA-N 452.470 4.235 5 1 JIBF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775971 KKLGHSLHGNWGFB-UHFFFAOYSA-N 453.451 4.215 5 1 JIBF COC(=O)c1ccc(-c2c(OC)cc(OC)c3c(=O)c4ccc(OC)c(OC)c4oc23)cc1 96933374 VJCPNVQHLOIIRI-UHFFFAOYSA-N 450.443 4.434 5 1 JIBF Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2cc1[N+](=O)[O-] 586948854 PJEXIDRRZAQBEH-UHFFFAOYSA-N 467.463 4.464 5 1 JIBF CCN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 82134800 ZRISAYORQGKFIL-UHFFFAOYSA-N 459.428 4.457 5 1 JIBF COc1ccccc1CCNC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149887 LVSRFPWHEPBGGF-UHFFFAOYSA-N 461.522 4.387 5 1 JIBF NC(=O)c1cc(N2CCC(c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263350 RVDWMGSJGFOODR-UHFFFAOYSA-N 469.501 4.185 5 1 JIBF Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)n2nc(SCc3ccccc3[N+](=O)[O-])nc2n1 1857599062 GBESCTDDESZRRM-UHFFFAOYSA-N 490.593 4.129 5 1 JIBF O=C(NCC1CC1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82135457 QCIQNSNMMYESNS-UHFFFAOYSA-N 451.914 4.500 5 1 JIBF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1 587014612 UVTVBWXUPOXXPE-UHFFFAOYSA-N 454.306 4.382 5 1 JIBF Cc1onc(-c2nc3c(Br)c(F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079576 LBWNVTCNARNDEE-UHFFFAOYSA-N 455.631 4.234 5 1 JIBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 963184849 JSNIGAYYJQUKSW-GUYCJALGSA-N 468.771 4.062 5 1 JIBF CCCCOc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 586919975 JUNIWFZATLPUNV-UHFFFAOYSA-N 468.329 4.386 5 1 JIBF O=C1C[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F 587149154 MCMIONIZXCVAFT-JTQLQIEISA-N 451.227 4.028 5 1 JIBF CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4080205 WFTGDMODGBEGLL-PKOBYXMFSA-N 466.321 4.128 5 1 JIBF CCCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832641 RXYHGDMFKBIBOR-UHFFFAOYSA-N 496.531 4.180 5 1 JIBF CN(CC(=O)NCc1cccc(OC(F)(F)F)c1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82089351 LZZJDDHHYPUWHI-UHFFFAOYSA-N 494.451 4.005 5 1 JIBF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587216963 AALAIYSIRPWOAD-OAHLLOKOSA-N 499.480 4.469 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(-c3ccc(F)cc3)c2c1 587621497 UYAHHSGXVYYQEJ-UHFFFAOYSA-N 485.449 4.390 5 1 JIBF CCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 1772632710 BYSPZQONSLKQKS-UHFFFAOYSA-N 454.331 4.242 5 1 JIBF O=C(NCc1ccc2c(c1)CCN(CC1CCCCC1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857650266 DPUCEFTUNYSOSS-UHFFFAOYSA-N 452.511 4.371 5 1 JIBF O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c2ccccc12 103256261 HPRQSGVOCWVPDG-UHFFFAOYSA-N 455.426 4.253 5 1 JIBF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586936835 NRPWOMZKMVZCPR-CQSZACIVSA-N 485.385 4.006 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987861 SWUJOCRBESXTSC-UHFFFAOYSA-N 455.426 4.250 5 1 JIBF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587245271 SIYMGDZOLKZJAK-UHFFFAOYSA-N 456.256 4.373 5 1 JIBF O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccccc3OC(F)(F)F)[C@H]12 653689959 CBQYGRZQYVBGSA-JTUHZDRVSA-N 467.403 4.101 5 1 JIBF Cc1cccn2c(=O)c3cc(C(=O)NCCCc4ccccc4)c(=N)n(CCc4cccs4)c3nc12 1857579498 HJZMBSTXRLTVAU-UHFFFAOYSA-N 497.624 4.104 5 1 JIBF C[N@+]1(CCOCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 253684872 SNNSMXBTHSLXDC-QVWWMRLHSA-O 456.610 4.391 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 587551440 FJCGVDXWDXSHKF-WIYYLYMNSA-N 467.821 4.495 5 1 JIBF O=C(NCCc1c[nH]c2ccccc12)c1cccn2c(=O)c3cc(Br)ccc3nc12 2957447 DOGXUOXHPOZDNG-UHFFFAOYSA-N 461.319 4.064 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 587579417 ZSDJHXWPXABTLE-ZJSXRUAMSA-N 459.414 4.236 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)C3CC3)c2c1 587620285 UHGAPJIERYRMEU-UHFFFAOYSA-N 465.434 4.416 5 1 JIBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962771060 URYPIECGDRWYAO-IRLDBZIGSA-N 459.399 4.254 5 1 JIBF CO[C@H]1C[C@@]2(C)O[C@@H]([C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 2356690749 IPUGEHXWDXTWIF-YDMQNBKTSA-N 453.498 4.127 5 1 JIBF O=[N+]([O-])c1ccc(-c2nc(S(=O)(=O)C(F)(F)C(F)F)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1 28220453 BTYFQDGYNWKMGI-UHFFFAOYSA-N 474.348 4.192 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)OCc2ccc([N+](=O)[O-])cc2)N1 587749572 DQQPASMGHXOBCL-MPBGBICISA-N 451.292 4.379 5 1 JIBF CC(C)(C)OC(=O)N1CC[C@@]2(CCO)c3cccc4c(=O)c5cc6cc(O)ccc6nc5n(c34)[C@@H]12 1772646671 GMGXNDJXBMACBJ-SHQCIBLASA-N 473.529 4.182 5 1 JIBF O=C(NCCCCc1ccccc1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 59785502 AJVHLBIZFWJCAE-UHSQPCAPSA-N 498.583 4.339 5 3 JIBF aggregator COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCC(C(=O)O)CC3)c12 43206860 VLSIAPYZDCCBPU-UHFFFAOYSA-N 479.920 4.179 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587186017 DSLHXWHEESWSQJ-UHFFFAOYSA-N 484.051 4.153 5 1 JIBF c1ccc2c(c1)nc(N1CCN(Cc3cn(-c4ccc5c(c4)OCO5)nn3)CC1)c1ccccc12 103247813 DCGCDPCTJLSKTR-UHFFFAOYSA-N 464.529 4.020 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OCCN(C)C)cc2[nH]1 587053947 HVHQYSMXIMXYPB-FQEVSTJZSA-N 459.934 4.192 5 1 JIBF O=[N+]([O-])c1cccc(-c2ccc(OC[C@H](CCc3ccncc3)N3CCCS3(=O)=O)cc2)c1 13587493 ZNAXHHPPQQZYEU-QHCPKHFHSA-N 467.547 4.073 5 1 JIBF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586956459 KWYJTQJFWUAHNS-UHFFFAOYSA-N 468.466 4.037 5 1 JIBF COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586979704 IDKFAZKIKOGMRG-UHFFFAOYSA-N 485.088 4.396 5 1 JIBF CC[C@@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 82150085 DLJVZUUOSDJYQN-OAHLLOKOSA-N 465.510 4.209 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 587748653 AVYDIPWRVOFVFU-YUNKPMOVSA-N 461.291 4.353 5 1 JIBF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207586 HCMRLOAIQBUHKI-MJGOQNOKSA-N 452.294 4.146 5 1 JIBF COc1ncc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)OC(C)(C)C)C4)c3c2)cc1[N+](=O)[O-] 1857756920 JHGRJODFESQOIF-INIZCTEOSA-N 466.498 4.030 5 1 JIBF O[C@H]1C[N+]2(Cc3ccc(/C=C/c4ccc(C[N+]56CCC(CC5)[C@@H](O)C6)cc4)cc3)CCC1CC2 71341798 HGRQUYQWMOHZCS-MUHMCBJKSA-N 460.662 4.060 5 1 JIBF Nc1ccc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cn1 587254926 SPEQLBAYPXNXDL-UHFFFAOYSA-N 478.464 4.413 5 1 JIBF CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587742561 ASIBCYRSBPTTPM-FDMGOTLNSA-N 497.317 4.371 5 1 JIBF O=C(CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3)NC[C@H]1CCOC1 26722551 NEGCBIBMPAHBIM-MRXNPFEDSA-N 466.541 4.215 5 1 JIBF CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccc(O)cc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)OC4 29550443 GZJKVFKNTQXSQM-FYTWVXJKSA-N 499.523 4.192 5 1 JIBF COc1ccc(S(=O)(=O)N[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H](C)O)cc1 586938985 ZKGSEQFSRNJMNC-NYHFZMIOSA-N 461.543 4.278 5 1 JIBF CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587742559 ASIBCYRSBPTTPM-ADWYPQAOSA-N 497.317 4.371 5 1 JIBF Cc1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cnc1N1CCOCC1 14970370 OVOZMEDUHMGHJA-UHFFFAOYSA-N 474.536 4.026 5 1 JIBF COC[C@H]1C[C@@H](COC)[C@@H]2N[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 27551032 KZUFDOMTNKRDOD-FYXLEKITSA-N 494.551 4.315 5 1 JIBF C[C@@](O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857577053 GCXINAWUBSKXLB-MRXNPFEDSA-N 452.307 4.401 5 1 JIBF CCOC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 586947883 BEWNFYQQFBCVNM-UHFFFAOYSA-N 480.502 4.424 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586951884 CSSWSKXHLOHKOR-UHFFFAOYSA-N 480.325 4.158 5 1 JIBF CCOC(=O)Cc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587053058 ALHHDZLYLYKLSP-HXUWFJFHSA-N 458.902 4.357 5 1 JIBF CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCC(=O)CC1 587235206 GZVMFQYFGVZKEK-UHFFFAOYSA-N 453.293 4.097 5 1 JIBF O=C(NCCCCc1ccccc1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 59785500 UZSJSDASZRZPIR-UHSQPCAPSA-N 498.583 4.339 5 3 JIBF CCOC(=O)C1=C(C)N=C(CCn2ccnc2)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 27731289 HXENAAPIKVNMIC-VLMSHNLISA-N 454.483 4.063 5 1 JIBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccc(Br)cc1 1857540870 JFZCCFFWQFYPPW-UHFFFAOYSA-N 459.348 4.276 5 1 JIBF O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 40424263 CHPCAIBZNWKXLF-IBGZPJMESA-N 478.468 4.061 5 1 JIBF CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6ccc([N+](=O)[O-])c(N)c6)nc5c4)[nH]c3c2)CC1 45194013 KASUFKXQYSJFSG-UHFFFAOYSA-N 468.521 4.015 5 1 JIBF COc1cccc(OC)c1CNc1ncc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135657 WWMLBTAQVLUNSW-UHFFFAOYSA-N 477.521 4.307 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587117845 JIXYLLSWNITPKR-UHFFFAOYSA-N 483.042 4.454 5 1 JIBF O=C(NCc1ccc2c(c1)CN(Cc1ccc(F)cc1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857766780 CGUJINVTBFQSAP-UHFFFAOYSA-N 450.426 4.088 5 1 JIBF COC(=O)c1c(OC(C)=O)ccc2c1c1c(OC(C)=O)c3ccccc3c(OC(C)=O)c1n2C 1663204 DXKROOJCHRZXCL-UHFFFAOYSA-N 463.442 4.047 5 1 JIBF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(C(=S)Nc3cccc([N+](=O)[O-])c3)CC1)C2 103277312 BLEOEGMIKLUXCV-KRWDZBQOSA-N 469.563 4.466 5 1 JIBF COc1cc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc(OC)c1OC 299839065 PPXAZQGWZSHZMY-IBGZPJMESA-N 455.470 4.177 5 1 JIBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)C(=O)OC2 586915877 SGYOCUYWSXUTKQ-WCIBSUBMSA-N 482.449 4.194 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)ccnc2[nH]1 587055951 ROYJSRGSQVJXTN-ZDUSSCGKSA-N 452.696 4.409 5 1 JIBF CC[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 587186500 YTQFMSVXCIBERT-LLVKDONJSA-N 490.099 4.343 5 1 JIBF CC(C)Oc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br 587263489 AMKDAWNIKVJZQW-MGNBDDOMSA-N 494.302 4.463 5 1 JIBF COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)c(Cl)sc2=O)cc1[N+](=O)[O-] 45334417 QFMRMEYPYNNGPN-UHFFFAOYSA-N 452.872 4.162 5 1 JIBF Cc1ccc(N2C(=O)[C@H](CCCNS(=O)(=O)c3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 213960419 UFDDJNXJKQPECR-IFMALSPDSA-N 485.587 4.428 5 1 JIBF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccc([N+](=O)[O-])n1 587749674 FCGTWESWGYGCHZ-XUSGNXJCSA-N 475.318 4.373 5 1 JIBF Cn1nc(C(F)(F)F)cc1-c1ccc(C[C@H](O)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 1857761721 LMTAQVMMKRJEMM-FQEVSTJZSA-N 457.412 4.476 5 1 JIBF Cc1cc(Cl)ccc1N1C(=O)[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1cccs1 2462773 CVEMNAHTMODJAN-RTBURBONSA-N 467.890 4.371 5 1 JIBF O=C1C[C@@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 13521521 WRIPAXVLFJYSSP-WWNPGLIZSA-N 482.334 4.452 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](c2cc(F)cc([N+](=O)[O-])c2)c2[nH]c3ccccc3c2C[C@H]1[C@@H](O)CC(=O)O 963074022 OINIFCLMSWGJRI-JTAQYXEDSA-N 499.495 4.302 5 1 JIBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263803 OODYDVCTHKUICB-CSMYWGQOSA-N 474.439 4.495 5 1 JIBF CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587746721 KSEDFGNIUHLDCW-FKIZINRSSA-N 451.292 4.227 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 587841450 AYCHOLJUBWXBST-YPMLDQLKSA-N 478.347 4.400 5 1 JIBF N=C(N)c1ccc2[nH]c(-c3cc(CCOP(=O)(O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1 26296030 NXNRJUFNJWZPSV-UHFFFAOYSA-N 496.416 4.052 5 1 JIBF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 104103989 VKQIJLYJNBYKHA-RCDICMHDSA-N 484.505 4.490 5 1 JIBF CCOC(=O)Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 586949176 SVLRKMOIGAESMD-UHFFFAOYSA-N 494.529 4.353 5 1 JIBF CN1CCN(c2ccc(C(=O)OC3CCCCC3)cc2NC(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 1772621696 NMVMUWSPFJBBIL-UHFFFAOYSA-N 484.528 4.228 5 1 JIBF Cc1c([C@H](c2cccc([N+](=O)[O-])c2)c2c(O)oc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 104114748 OJBICOZAKFRFBW-QHCPKHFHSA-N 483.480 4.385 5 1 JIBF O=C1c2ccccc2[C@@]2(N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2c1cccc2[N+](=O)[O-] 962699330 IPFUGEFZFAIBLW-MBSDFSHPSA-N 486.377 4.188 5 1 JIBF CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 72137742 YLAVJZIOVQFQRW-SFTDATJTSA-N 458.536 4.245 5 3 JIBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1ccco1 113051230 GMOMIMMYIDECGN-YMVIPVGISA-N 462.566 4.137 5 1 JIBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 587269237 JCUQPGYWBAFESI-UHFFFAOYSA-N 464.707 4.302 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 587747370 NDSOTAQQBBJWAZ-XMHCIUCPSA-N 472.314 4.474 5 1 JIBF COCCCNC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 82134331 HXMMJEONKAFXQQ-UHFFFAOYSA-N 489.454 4.449 5 1 JIBF CCOc1ccc(CCNc2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82135445 ZDYUDPMUCSLKKR-UHFFFAOYSA-N 491.548 4.254 5 1 JIBF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587511516 QLQSZQUONPJSRN-RNODOKPDSA-N 455.463 4.431 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(O)c2c1 587621294 SEPCUSYIJUAUOP-UHFFFAOYSA-N 457.439 4.397 5 1 JIBF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774538 WDUVFZFYDIPKHF-NVXWUHKLSA-N 485.880 4.332 5 1 JIBF COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1 775847 HOQBBGCKGUTFDW-UHFFFAOYSA-N 497.504 4.266 5 1 JIBF O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1cccc([N+](=O)[O-])c1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 40430529 APXVSVMGXYYIML-LJQANCHMSA-N 478.468 4.061 5 1 JIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587748843 WTTGHAZGLZVNLS-RTXGADQUSA-N 453.308 4.378 5 1 JIBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 962898694 MJHMEHVFLKYRTI-XUZZJYLKSA-N 458.449 4.275 5 1 JIBF CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2cccc(OC)c2C1 13737095 JKDNPVDWERGGAV-TYKNXJODSA-N 457.635 4.345 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 587843543 ISJZCVVJDAJUPC-MGNBDDOMSA-N 478.347 4.400 5 1 JIBF COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)[C@@H](N)C(C)C)ccc32)cc(OC)c1 64527748 XYPMYKHSERTICN-VWLOTQADSA-N 459.546 4.142 5 1 JIBF CC1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)CC1 103957613 XQOWJWCZFSALMS-UHFFFAOYSA-N 477.546 4.490 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587264469 SHNKJYMXWHIPJY-ZETCQYMHSA-N 459.768 4.236 5 1 JIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748840 WTTGHAZGLZVNLS-QXJJSNKBSA-N 453.308 4.378 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(C)=O 587862760 HTHQPKZGDIPMLH-WOJGMQOQSA-N 474.395 4.303 5 1 JIBF Cc1ccc([C@H]2c3c(-c4ccccc4)nn(-c4ccc([N+](=O)[O-])cc4)c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 40424673 ZKMAXEQBIKWYAG-FQEVSTJZSA-N 492.495 4.370 5 1 JIBF CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1 63540291 OBHMNLIBIPFXCY-UHFFFAOYSA-N 490.545 4.168 5 1 JIBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82149290 LOXMSYGYDNKWOD-IAGOWNOFSA-N 489.532 4.193 5 1 JIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(I)cnc(Cl)c3[nH]2)c1 587261637 DUULCOXKELGNRC-UHFFFAOYSA-N 458.643 4.054 5 1 JIBF O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 587655177 VFBGDPCHNACETG-UHFFFAOYSA-N 491.312 4.402 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 587747096 LYRAYNPFZNFZFS-XMHCIUCPSA-N 478.362 4.329 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587264447 RUDZLUFPFMYAAF-VIFPVBQESA-N 478.255 4.283 5 1 JIBF O=C1c2cccc3cccc(c23)C(=O)N1Nc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1 98084083 JBZLRJZISMQQRN-UHFFFAOYSA-N 491.463 4.129 5 1 JIBF COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])[C@@H](C2)C3=O 587416773 FCSHIBRZVFERNC-XYZCENFISA-N 459.669 4.147 5 1 JIBF COc1cc(-c2ccc3c(c2)Nc2ccc(OCCN4CCOCC4)cc2NC3=O)ccc1[N+](=O)[O-] 71788695 LZMITZXNKIUZJY-UHFFFAOYSA-N 490.516 4.291 5 1 JIBF O=c1nc(N2CC3(CN(CC4CCCCC4)C3)C2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857574889 RXEREVLDNBQLIL-UHFFFAOYSA-N 468.501 4.286 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 104397133 KYKZJOSAKACDDO-SNHGZMDHSA-N 470.957 4.124 5 3 JIBF COc1cccc(OC)c1CNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148002 QBOUAULOPMOHEE-UHFFFAOYSA-N 479.537 4.409 5 1 JIBF O=C(O[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 113051938 CTHSROQQKRDVOW-VJLZTBLDSA-N 457.641 4.090 5 1 JIBF COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2NCCc3c2c(C(C)C)nn3C)cc1 962920572 NJPWFXFVIDXSCX-XMMPIXPASA-N 464.522 4.052 5 1 JIBF O=C(NCCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 14977733 UJSIXNOCRAHRHR-UHFFFAOYSA-N 498.499 4.471 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 587752303 QRKHGGVQJIDLTK-ODXCJYRJSA-N 461.291 4.353 5 1 JIBF COc1ccc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)o2)cc1[N+](=O)[O-] 962627614 HCKTVJQNPPQDQH-YWZLYKJASA-N 478.379 4.450 5 1 JIBF O=C(Nc1ccc(F)c(F)c1)c1cc(F)c(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 28870784 NPZLEPKJRMNOST-UHFFFAOYSA-N 469.372 4.204 5 1 JIBF O=C(/C=C/c1ccc(-n2cnnc2)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 45245206 OYKCSJOLMCIHGA-KGVSQERTSA-N 467.445 4.081 5 1 JIBF CCOC(=O)C1=C(C)NC(SCCN(C)Cc2ccccc2)=N[C@H]1c1cccc([N+](=O)[O-])c1 299857647 OHCOMYVNJCPWRT-QFIPXVFZSA-N 468.579 4.297 5 1 JIBF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3cccc([N+](=O)[O-])c23)n1 587647739 NRAIDJUCLUSJSO-UHFFFAOYSA-N 478.461 4.291 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 587750350 HTUALTMVUXARQP-DMZKTXOQSA-N 472.314 4.474 5 1 JIBF CC1=C(c2ccc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)NNC(=O)C1 587054093 JALHTQLKMHTJSP-HXUWFJFHSA-N 482.928 4.007 5 1 JIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587267481 KWMCEDQDHCBTHM-LBPRGKRZSA-N 460.903 4.040 5 1 JIBF COc1ccc(CCNc2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82214862 OLOLLLXEEQDXBI-UHFFFAOYSA-N 461.522 4.341 5 1 JIBF COc1cc2nc(Sc3cc([N+](=O)[O-])ccc3C(=O)O)n(Cc3ccccc3)c(=O)c2cc1OC 96258066 BHHYPCRVXWRUHY-UHFFFAOYSA-N 493.497 4.220 5 1 JIBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587751719 OGGZZZQTGBLWJH-YEJXKQKISA-N 464.335 4.312 5 1 JIBF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(c3ccccc3[N+](=O)[O-])=NO2)cc1O 1772657624 XFMPROGNKNFFBZ-RUZDIDTESA-N 480.473 4.403 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(OCc3ccccc3)nc1)C2 66263622 UHMZMRDLSTXXNJ-NRFANRHFSA-N 458.474 4.410 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587160969 JITSQEXEMDLRRP-UHFFFAOYSA-N 451.643 4.333 5 1 JIBF COc1cc(OC(F)(F)F)ccc1[C@@H]1c2c(c3cccnc3c3ncccc23)N[C@@]2(O)COC(=O)[C@@H]12 653689962 DDTMHYJZAKYSMI-ROMRWMGNSA-N 497.429 4.109 5 1 JIBF O=[N+]([O-])c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1[N+](=O)[O-] 586966175 ISIFNMHHXVVVEO-UHFFFAOYSA-N 451.468 4.189 5 1 JIBF COc1cc2c(cc1OC)S[C@@H](C(=O)C[C@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2 38151246 RUCMPVRFPBFNLE-XRLLFLDWSA-N 456.628 4.098 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)nn2)c1 587269767 ORZSNHZXMBRSEA-UHFFFAOYSA-N 469.177 4.380 5 1 JIBF CCOC(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 587657446 XGZSLADIOFHACV-UHFFFAOYSA-N 451.385 4.416 5 1 JIBF COc1ccc2c(c1)CCN(C(=O)[C@H]1CC(=O)c3ccc(Cl)cc31)[C@H]2C[N+]1(C)CCCC1 209467119 ORPZFCAVJWIWEA-ZEQRLZLVSA-N 453.990 4.385 5 1 JIBF CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 587749104 XAUZVTGSZVEYKU-WIUDPPPLSA-N 489.301 4.091 5 1 JIBF O=C(N[C@H](COCc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086063 VJCRYURZHPVABL-HXUWFJFHSA-N 494.573 4.046 5 1 JIBF COc1cccc2c3c(cnc12)CCN[C@]3(C[C@@H]1CCC[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 963061921 ZLXZRGMUEMWNJD-CPTIDLKLSA-N 461.518 4.432 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102580336 KYKZJOSAKACDDO-IMAQQZIHSA-N 470.957 4.124 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(I)cnc2[nH]1 587053046 ACGDJHVLKXVVQR-AWEZNQCLSA-N 499.696 4.251 5 1 JIBF CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587744820 FXXFFMLAKZIQSU-ASSNKEHSSA-N 465.319 4.422 5 1 JIBF Cc1nccc([C@@]2(C)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)n1 963023919 QBPDXAYIWBTEGK-SVEHJYQDSA-N 475.552 4.196 5 1 JIBF O=C(CSCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587112754 COBCGPXKBAMPGX-UHFFFAOYSA-N 455.374 4.270 5 1 JIBF O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656730 LLTJBXPHPFBPIC-UHFFFAOYSA-N 487.422 4.183 5 1 JIBF COc1cc2c(cc1OC)[C@@H](c1cc(F)cc([N+](=O)[O-])c1)N(C(=O)c1ccccc1N)CC2 963156224 OZJALALYJGTUNK-HSZRJFAPSA-N 451.454 4.121 5 1 JIBF Nc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CC(=O)N2Cc2cccnc2)ccc1O 13521573 VANNPPSFENWDML-IMRHEYAYSA-N 497.349 4.035 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCn2ccc([N+](=O)[O-])n2)cc1 587578070 PZQYYWJPGNNNRX-QPPBQGQZSA-N 459.414 4.236 5 1 JIBF Cc1cc(=O)c(O)c(C(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2oc(C)cc(=O)c2O)o1 1857775177 FVDUPVLGFMOEKX-UHFFFAOYSA-N 491.452 4.288 5 1 JIBF COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1OC 13361834 AIJDFFXFTOATQM-PTJPXAHXSA-O 493.624 4.427 5 1 JIBF COC(=O)[C@]1(O)C[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)OC1(C)C 28521185 NLHBZNOOVZNUPE-WHLCRQNOSA-N 483.524 4.274 5 1 JIBF in-vivo COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+](=O)[O-])CC1 65731062 HVMKWKIPLGPYAR-UHFFFAOYSA-N 466.582 4.339 5 1 JIBF investigational CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])c(OC)c1)CC2=O 587470479 KAABGHQTTPWMHO-HXUWFJFHSA-N 453.451 4.494 5 1 JIBF C[N+](C)([O-])Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C[N+](C)(C)[O-])c3)cc2)c1 1643639 AFAQCCNXQQKUEK-UHFFFAOYSA-N 462.550 4.340 5 1 JIBF CC(=O)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1 5581436 RRUMSEVNNYUEFL-UHFFFAOYSA-N 456.907 4.037 5 1 JIBF N=c1sc(=S)[nH]c2nc3[nH]c(=S)[nH]c(=O)c3c(-c3ccc(N4CCCCC4)cc3)c12 101657882 TWXRJXWLNWDKKV-UHFFFAOYSA-N 454.606 4.390 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1nc(-c2cnn3ccc(Br)cc23)cs1 103299130 JRYMYMCSCRHQMP-UHFFFAOYSA-N 493.364 4.411 5 1 JIBF Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587512357 NBSCGEUGKLLJKS-MHZLTWQESA-N 484.464 4.207 5 1 JIBF CCS(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587058010 ZGVWHJPPQMXQEI-SFHVURJKSA-N 464.931 4.045 5 1 JIBF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653798210 AMGFBSMVLAHKRN-WNSKOXEYSA-N 493.495 4.182 5 1 JIBF COC(=O)c1ccccc1Oc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1[N+](=O)[O-] 962900637 RXTOCPHAGHBWSX-JTSKRJEESA-N 466.421 4.001 5 1 JIBF COc1ccc(NC(=O)/C=C/c2sc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC 1857548403 JHVLFNOUWLJGFP-MDZDMXLPSA-N 496.545 4.224 5 1 JIBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccccc1Br 1857744211 ZLNCTAJUFQPILE-GOSISDBHSA-N 491.345 4.385 5 1 JIBF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774537 WDUVFZFYDIPKHF-DOTOQJQBSA-N 485.880 4.332 5 1 JIBF CCC[C@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O 13890089 UILRBVIPTXHVIG-DSNGTPCMSA-N 494.496 4.274 5 1 JIBF in-vitro COc1ccc(-c2nnc(-c3ccc4nc(-c5cn(-c6cccc([N+](=O)[O-])c6)nn5)[nH]c4c3)o2)cc1 587269134 GTXPOILVMSIHGX-UHFFFAOYSA-N 480.444 4.444 5 1 JIBF CC[C@H]1Oc2c(ccc3c(=O)c4c(O)cc(O)cc4oc23)O[C@@H]1c1cc(OC)c(O)c(OC)c1 238751411 RFKZLHGGNRZIBK-IQMFZBJNSA-N 466.442 4.371 5 1 JIBF CC[N@@+]1(C)CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 299849248 BCRZUMBMWZIXRV-SUMNFNSASA-O 457.435 4.318 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cnc2[nH]1 587056691 SYHTXJHYPQVKBU-CQSZACIVSA-N 452.696 4.409 5 1 JIBF C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575313 IZNPASROLKCKOD-RDGATRHJSA-N 462.458 4.014 5 1 JIBF CC[C@@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 82135751 YUQAPVKCVHOVKU-QGZVFWFLSA-N 493.564 4.276 5 1 JIBF C[C@@H](NS(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1)c1ccccc1 95582001 UVVNHLGXPBGUMO-GOSISDBHSA-N 484.581 4.329 5 1 JIBF CS(=O)(=O)c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925728 IJFFWCSBVWIOOM-UHFFFAOYSA-N 453.867 4.291 5 1 JIBF C[C@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575312 IZNPASROLKCKOD-RCZVLFRGSA-N 462.458 4.014 5 1 JIBF CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587744826 FXXFFMLAKZIQSU-ZSEKCTLFSA-N 465.319 4.422 5 1 JIBF Cc1nn(Cc2ccccc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)c1[N+](=O)[O-] 587268243 YSFUXMHQLXACLU-UHFFFAOYSA-N 451.796 4.414 5 1 JIBF Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661916 TVTHHJSUWOIKEU-UHFFFAOYSA-N 483.459 4.353 5 1 JIBF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 587376056 CEBFXXRPUCGTGO-IBGZPJMESA-N 456.886 4.407 5 1 JIBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OCc3ccccc3)c2[nH]1 587266721 NKUKSLJIYXPZJI-QKKBWIMNSA-N 463.450 4.492 5 1 JIBF CN[C@H]1C[C@H]2O[C@@H]([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 1772640402 YISMQBFJYDFMAL-QSDIEOHGSA-N 452.514 4.180 5 1 JIBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 4040139 ZTTBNOMULUCCGO-ISKFKSNPSA-N 499.999 4.008 5 1 JIBF CCCCc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832637 CXQZPZXQSZNCKT-UHFFFAOYSA-N 496.531 4.180 5 1 JIBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCn1cc([N+](=O)[O-])cn1 587577619 TWHCGDHJNGQTGB-WIOPSUGQSA-N 489.440 4.245 5 1 JIBF CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC 587669362 KOCSLQHLHXSYQR-MRXNPFEDSA-N 491.504 4.175 5 1 JIBF O=[N+]([O-])c1cc(CSc2nnc(CCCCCO)n2Cc2ccccc2)cc([N+](=O)[O-])c1 1857565121 SKJBNMQHOCGMPC-UHFFFAOYSA-N 457.512 4.140 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCCNS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2Cl)cc1 1857590126 VBVWOQQXWDDNHH-UHFFFAOYSA-N 498.392 4.387 5 1 JIBF CSCC[C@@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NC[C@@H]1CCCO1 82195889 GSYJZKHIOPEIOO-DZGCQCFKSA-N 471.004 4.201 5 1 JIBF Cc1onc(-c2nc3c(C)c(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079541 KTCKYTKELIRMMT-UHFFFAOYSA-N 451.668 4.404 5 1 JIBF Cc1cc(N(C)Cc2nc3c(I)cnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587136990 NNVJJACTHTXXBG-UHFFFAOYSA-N 475.649 4.208 5 1 JIBF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccc([N+](=O)[O-])n1 587749653 FCGTWESWGYGCHZ-GTJPDFRWSA-N 475.318 4.373 5 1 JIBF CCOc1cc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc2c1OCC([N+](=O)[O-])=C2 1772644817 YZKKZTIXDNMFHV-UHFFFAOYSA-N 468.510 4.205 5 1 JIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(I)cc2[nH]1 587264164 CJXVJZYEIJWYFV-QMMMGPOBSA-N 453.196 4.157 5 1 JIBF O=C(NC1CCN(Cc2ccccc2)CC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12 20646314 MBNVUOZFWANWII-UHFFFAOYSA-N 462.553 4.395 5 1 JIBF COc1cc2c(=O)n(CCN3CCC(C)CC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 28520402 WCCVBYZDMZQENR-UHFFFAOYSA-N 475.545 4.181 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 587752609 SFUSBBUCYDGKEN-FKIZINRSSA-N 461.291 4.353 5 1 JIBF Nc1c(C(c2ccc([N+](=O)[O-])cc2)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12 1857601994 FEXZEJHHSGHXOA-UHFFFAOYSA-N 455.426 4.152 5 1 JIBF COC(=O)c1ccc(Oc2ccc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 586920401 PIMSSGRISIXOHJ-UHFFFAOYSA-N 467.459 4.024 5 1 JIBF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587118845 QMCFYWDENMETFS-UHFFFAOYSA-N 458.400 4.104 5 1 JIBF COC(=O)c1c(-c2ccccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587619467 FVKHDBQPRUEQHO-UHFFFAOYSA-N 499.476 4.478 5 1 JIBF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]21 1857614006 AXLDLBLLMYCFFE-RFWXGWTQSA-N 485.433 4.212 5 1 JIBF Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163654 CMMJLVJWYFEPLB-LJQANCHMSA-N 484.516 4.384 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 587865588 CDBFZXGZRNIJOE-UHFFFAOYSA-N 490.438 4.401 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)CNc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 587667147 HUWPDDSROKVOSY-UHFFFAOYSA-N 487.516 4.276 5 1 JIBF CCOc1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3O)c(=O)c3ccccc23)cc1OCC 587670351 VITMMPATNJCORX-UHFFFAOYSA-N 475.457 4.163 5 1 JIBF CCOC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962629087 IMXDHYDALLQFCY-SHQCIBLASA-N 457.530 4.148 5 1 JIBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 4213200 YBUJVRDQQBJVIX-DHIUTWEWSA-N 494.036 4.016 5 1 JIBF CC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 13554387 NDPHFBYLOVVWLR-SFHVURJKSA-N 457.430 4.054 5 1 JIBF CCCc1c(O)ccc2c1O[C@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1[N+](=O)[O-])CC2=O 587473131 QELBNJNMCGLTEK-HHHXNRCGSA-N 486.480 4.410 5 1 JIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] 587868256 JQWWLARENATNPI-UHFFFAOYSA-N 486.410 4.122 5 1 JIBF Cc1nc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)N(CC(=O)O)Cc1nc2ccccc2s1 40933648 LYNLCLXITWUQNV-UHFFFAOYSA-N 468.516 4.363 5 1 JIBF COc1ccc(-c2nnc(-c3ccc4nc(CS(=O)(=O)c5ccc([N+](=O)[O-])cc5)[nH]c4c3)o2)cc1 586920078 LOMTVMPQQOBPJV-UHFFFAOYSA-N 491.485 4.171 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc([N+](=O)[O-])ccc3O)c(C)c2c1 587621557 VTXOAWGIUITQJH-UHFFFAOYSA-N 498.473 4.475 5 1 JIBF COc1ccc2c(c1OC)[C@]1(CCc3ccc(OC)c([N+](=O)[O-])c31)N(C(=O)c1ccccc1N)CC2 963143054 QXRHWIMHKIKNHB-HHHXNRCGSA-N 489.528 4.091 5 1 JIBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 773527 ZPWHQVHVORMEIR-SUMWQHHRSA-N 487.484 4.210 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1 587579320 UPJBBXZALBPFRP-URXFXBBRSA-N 459.414 4.236 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 587752301 QRKHGGVQJIDLTK-FKIZINRSSA-N 461.291 4.353 5 1 JIBF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4054070 ZZNTXGYNEHSROP-FUDKSRODSA-N 465.893 4.190 5 1 JIBF CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C(=O)O 13863827 PUAUSJUWVGDGCP-FKVRIVCVSA-N 497.573 4.027 5 1 JIBF O=C(O)c1cn(C2CC2)c2cc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O 40393953 LUUOTOAFRSZKBP-UHFFFAOYSA-N 483.908 4.084 5 1 JIBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 102600799 ZQSGUVZPLSWORF-IXVZARLZSA-N 450.875 4.219 5 1 JIBF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O 587431364 DMDZALNKDNCNJO-AFMDSPMNSA-N 475.453 4.362 5 1 JIBF COC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587577640 TYJOIAGWOAOTQM-XXBNENTESA-N 450.403 4.356 5 1 JIBF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2481094 DSNULLUYDHZDDW-UHFFFAOYSA-N 459.842 4.065 5 1 JIBF C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)cc2[N+](=O)[O-])C1 8666726 VLTGEVJITMKZCE-NPPFBWRTSA-N 465.550 4.428 5 1 JIBF CC(C)CN(C)c1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82135583 NQQZWXQQQDUCCA-UHFFFAOYSA-N 451.502 4.256 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587162168 TYHYCDWHXOKNHZ-UHFFFAOYSA-N 451.643 4.333 5 1 JIBF CCN(CC)CCC(=O)Nc1ccc2c(=O)c3ccc(NC(=O)CCN(CC)CC)cc3[nH]c2c1 28378982 OZPBMVWVOOUJFN-UHFFFAOYSA-N 479.625 4.022 5 1 JIBF COc1cc(Br)c([C@H](N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC 586975221 JWTBFMXNYJBGIU-ZDUSSCGKSA-N 486.120 4.061 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)OCc2ccc([N+](=O)[O-])cc2)N1 587751154 LBPAOYIARMRUHM-FKIZINRSSA-N 451.292 4.379 5 1 JIBF O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3cccc(OC(F)(F)F)c3)[C@@H]12 653689963 DKZHBVBEICTKOM-WLENULPWSA-N 467.403 4.101 5 1 JIBF O=[N+]([O-])c1cnc(/C=C/c2ccc(Cl)cc2)n1CCn1cc(COc2ccccc2)nn1 1857767415 DYBUMNXIIMOAOU-DHZHZOJOSA-N 450.886 4.486 5 1 JIBF C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82216970 OMNDDZYDAPZLSF-JHOJWFKBSA-N 465.554 4.007 5 1 JIBF O=C1C[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F 587148084 FPTJIALLYNIYBW-JTQLQIEISA-N 451.227 4.028 5 1 JIBF Cc1cc(Br)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 587262555 CLDYYPKVASOUBR-UHFFFAOYSA-N 458.316 4.025 5 1 JIBF O=C(NCCc1ccccc1)Nc1nc(Nc2ccc(C(=O)O)cc2)c2cc([N+](=O)[O-])ccc2n1 71296641 QBDOOJBLSIZUOO-UHFFFAOYSA-N 472.461 4.344 5 1 JIBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCCOC)nc1-c1ccc([N+](=O)[O-])cc1 82148620 KALGUIROYNGPTL-UHFFFAOYSA-N 463.538 4.471 5 1 JIBF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767946 AKGOYWCYCCJDBM-UNMCSNQZSA-N 450.882 4.239 5 1 JIBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1[N+](=O)[O-] 586956265 CDOVDNMKOJLHFV-UHFFFAOYSA-N 499.892 4.451 5 1 JIBF Cn1nc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(F)c1O 587154682 GSCNTKWASGNOSL-UHFFFAOYSA-N 486.415 4.090 5 1 JIBF O=C(c1coc2ccccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 587280848 CKQRKKVSAHQWAN-NRFANRHFSA-N 450.472 4.114 5 1 JIBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] 587471805 VIFHCVWVLVEABW-AREMUKBSSA-N 473.437 4.405 5 1 JIBF CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587743792 BUYOXNVKKLROLI-FKIZINRSSA-N 451.292 4.227 5 1 JIBF COC(=O)c1ccc(Oc2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)cc1 587092480 PQCPFNFERISUCP-UHFFFAOYSA-N 461.356 4.476 5 1 JIBF O=C1C[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 26490068 JVSFLIHZBUUABK-MZYLBHOOSA-N 482.334 4.452 5 1 JIBF C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)c(F)c1 103200294 BGPVRFYZOGJGNF-MCMMXHMISA-N 455.467 4.403 5 1 JIBF CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587742560 ASIBCYRSBPTTPM-BFKGZMGPSA-N 497.317 4.371 5 1 JIBF CCOC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629078 IMXDHYDALLQFCY-IGKIAQTJSA-N 457.530 4.148 5 1 JIBF O=[N+]([O-])c1ccc2c(c1)c1nn2CCCCOc2nn(c3ccc([N+](=O)[O-])cc23)CCCCO1 6006238 PKLXIQMORGRBLV-UHFFFAOYSA-N 466.454 4.234 5 1 JIBF COc1cc2c3cc(/C=C/C(=O)N4CCOCC4)ccc3[n+](C)c3c4ccccc4n(C)c(c1)c23 28638498 GGFAFRJWCXTQJR-PKNBQFBNSA-N 466.561 4.343 5 1 JIBF CCOc1cc([C@H]2CC(c3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)=NN2)ccc1O 31905903 AYTYZPXNHKCAOG-OAQYLSRUSA-N 496.545 4.247 5 1 JIBF COC(=O)C[C@@]1(Cc2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587748199 SPXOBXIGNSWJTE-MPBGBICISA-N 451.292 4.032 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 587748651 AVYDIPWRVOFVFU-MPBGBICISA-N 461.291 4.353 5 1 JIBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1cccc(Br)c1 1857606873 VGSNPTZXEHBZKJ-UHFFFAOYSA-N 459.348 4.276 5 1 JIBF CN(C)C1C=CC(=C2C=CN(CC(=O)c3ccc(I)c([N+](=O)[O-])c3)C=C2)C=C1 2356807247 POEBKWLFXQSLSD-UHFFFAOYSA-N 489.313 4.078 5 1 JIBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 27723818 MGJVYCJPLILCKO-VSRNGQBXSA-N 454.483 4.061 5 1 JIBF O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 43119966 ZYZIHJMWCSZLEQ-AUSLDBMVSA-N 456.562 4.423 5 1 JIBF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([N+](=O)[O-])cc4[nH]2)cn3C2CC2)C1 587172632 KBLWACXVTYVLPR-CQSZACIVSA-N 476.512 4.245 5 1 JIBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587272883 BFAOAUJLIZNNFO-GFCCVEGCSA-N 494.455 4.291 5 1 JIBF CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336821 AUYVAQYEOYFZMY-UPVQGACJSA-N 451.406 4.257 5 1 JIBF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](Cc2ccc([N+](=O)[O-])cc2)(c2cccnc2)N1 962694518 HLYNCLFAYAIANX-UNMCSNQZSA-N 475.398 4.233 5 1 JIBF Nc1nc2c3nc(Nc4ccccc4)sc3nc(=O)n2c2sc(Nc3ccccc3)nc12 17220637 WNBZMIKECRELRE-UHFFFAOYSA-N 458.532 4.378 5 1 JIBF CCN(CC)CCC(=O)NCc1cccc2cc3cccc(CNC(=O)CCN(CC)CC)c3nc12 45287588 WTDLJVZALUPRHQ-UHFFFAOYSA-N 491.680 4.084 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 587579416 ZSDJHXWPXABTLE-XUZZJYLKSA-N 459.414 4.236 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 587753300 UWMKAIIAYZTHAO-YUNKPMOVSA-N 461.291 4.353 5 1 JIBF O=c1c2ccccc2oc2c(OC[C@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)cccc12 95597364 OCFHFZOXGSVKHU-BWAMLYQTSA-N 470.569 4.017 5 1 JIBF C[C@@]1(c2ccccc2[N+](=O)[O-])c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963416127 MXSHATJXHGSECY-BKMJKUGQSA-N 455.470 4.491 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969878 PKYIDOHUDBRURC-UHFFFAOYSA-N 476.268 4.305 5 1 JIBF CC(C)Oc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br 587263490 AMKDAWNIKVJZQW-MLCYQJTMSA-N 494.302 4.463 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C[N+](=O)[O-])c2c1 587621542 VLZQSTMRASMXKZ-UHFFFAOYSA-N 482.474 4.329 5 1 JIBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1=O 4214951 AECDNBKPCUPOEM-VXKWHMMOSA-N 478.977 4.391 5 1 JIBF O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1c2ccccc2nc2ccccc12 5579233 AWCZSYCCPWIDID-UHFFFAOYSA-N 455.499 4.231 5 1 JIBF Cc1nc2ccc3ccc(CNc4ccc(C(=O)C[C@H](CCC(=O)O)C(=O)O)cc4)cc3c2c(=O)[nH]1 45229486 HNZJLHRNZCZUCM-IBGZPJMESA-N 487.512 4.135 5 1 JIBF O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1[N+](=O)[O-] 587167087 HQTXMTQYHGLGKC-UHFFFAOYSA-N 463.428 4.048 5 1 JIBF CCN(CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4)C(C)C 28520400 OEDTUCGXUBRFNL-UHFFFAOYSA-N 463.534 4.179 5 1 JIBF COc1ccc(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82219672 CUUPROVXBPJNBP-UHFFFAOYSA-N 490.545 4.399 5 1 JIBF COC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)CCN1C 13863826 VKDICKOLJZIYGR-XMZCSZCVSA-N 483.590 4.198 5 1 JIBF O=C1C[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F 587149155 MCMIONIZXCVAFT-SNVBAGLBSA-N 451.227 4.028 5 1 JIBF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)o1 586923287 IUWNPKYUECFVKX-UHFFFAOYSA-N 470.514 4.246 5 1 JIBF CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(=NC4CCCC4)[nH]3)cc2)CC(C)(C)N1[O] 1857563693 ZCLQJKZTLYXWRB-UHFFFAOYSA-N 496.592 4.002 5 1 JIBF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055160 JFBHBDCAALUNHX-PZJWPPBQSA-N 479.364 4.451 5 1 JIBF CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174839 ZBYDDMXMQIRSHV-UHFFFAOYSA-N 452.515 4.296 5 1 JIBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccccc1Br 1857583344 HYXKHRVMWQSIAC-UHFFFAOYSA-N 459.348 4.276 5 1 JIBF COC(=O)CCCCCNC(=O)c1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 103171484 DCTLGWKPROVAFF-UHFFFAOYSA-N 469.534 4.491 5 1 JIBF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 586979723 JCPXIYHPALCVNS-UHFFFAOYSA-N 467.345 4.287 5 1 JIBF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc2s1 587033734 LEAHYSXEQQLXPX-UHFFFAOYSA-N 454.464 4.018 5 1 JIBF COC(=O)c1cc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1OC 587053841 HDAWRSPGGLPMRF-GOSISDBHSA-N 460.874 4.047 5 1 JIBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCc2ccccc2N)cc1 770352 XTERHDQHGUCBQH-LADGPHEKSA-N 493.951 4.305 5 1 JIBF COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)N3CCN1CCCCC1 40413832 ZTOIFOHQRBKBDK-UHFFFAOYSA-N 450.535 4.474 5 1 JIBF CC[C@@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1cccc([N+](=O)[O-])c1 82135733 SVCQEUMNNMLODS-OAHLLOKOSA-N 465.510 4.209 5 1 JIBF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587230660 HGSDJWBQFGEUGX-UHFFFAOYSA-N 462.422 4.269 5 1 JIBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 587269099 FYWYWBLTFNYYCJ-UHFFFAOYSA-N 474.271 4.162 5 1 JIBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)n1 587274663 YDCARUQPJZNEIY-UHFFFAOYSA-N 494.455 4.120 5 1 JIBF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1cc([N+](=O)[O-])cn1 587748676 BCXLNBANVZFJJZ-QKVFXAPYSA-N 491.317 4.362 5 1 JIBF O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051644 JXYUSLLNWJOSFE-CKUXNOBLSA-N 479.920 4.060 5 1 JIBF O[C@@H]1C[N+]2(Cc3ccc(/C=C/c4ccc(C[N+]56CCC(CC5)[C@H](O)C6)cc4)cc3)CCC1CC2 71341796 HGRQUYQWMOHZCS-OXBUMUKZSA-N 460.662 4.060 5 1 JIBF C[C@@H]1O[C@@H](OCc2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O 238764443 ZMDOUBFIQOZYDB-VCLDYQMPSA-N 479.529 4.388 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2c1 587621105 OJNHSBFDCHHITI-UHFFFAOYSA-N 484.446 4.166 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccc(C)n3)c2c1 587621284 RWAJJRXKCBBSSV-UHFFFAOYSA-N 495.517 4.150 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 587752048 PSXCZPHBLFVDTF-FKIZINRSSA-N 461.291 4.353 5 1 JIBF COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC 4053335 CCRCAJQMWGOVNI-ILBGXUMGSA-N 493.491 4.202 5 1 JIBF O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4cccc(Cl)c4Cl)nn3)s2)o1 73292409 MYXCCLJNGGWDAO-UHFFFAOYSA-N 452.283 4.265 5 1 JIBF O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)O3)cc1 169728042 AYRVIIFXTDIGES-FQEVSTJZSA-N 459.414 4.398 5 1 JIBF O=[N+]([O-])c1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1[N+](=O)[O-] 587158539 ZYACSYMKDYWGPX-UHFFFAOYSA-N 477.206 4.116 5 1 JIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587267812 RIEJBCUJZZPZEW-LBPRGKRZSA-N 494.455 4.405 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCn2cc([N+](=O)[O-])cn2)c1 587574667 GFFCULJBBZONOK-XUZZJYLKSA-N 459.414 4.236 5 1 JIBF Cc1ccccc1-c1cc(C(=O)NCC2CC2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 36387809 XLEFBSFCTOUSRL-FQEVSTJZSA-N 459.506 4.100 5 3 JIBF C[C@]1(CN2CCc3nc(-c4ccc(C(F)(F)F)cc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857614571 MKANAMDPSBLSIG-NRFANRHFSA-N 459.428 4.082 5 1 JIBF CCOC(=O)C1=C(C)N[C@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64538992 IJTLZEBTGQCKGE-UPVQGACJSA-N 479.562 4.165 5 1 JIBF CCOc1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC 587670371 VZXISIDEGILVBL-UHFFFAOYSA-N 489.484 4.488 5 1 JIBF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21 587575045 HUTALYKPMPFRAY-HOFKKMOUSA-N 481.416 4.456 5 1 JIBF O=[N+]([O-])c1cccc(Cl)c1Oc1cccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)c1 653912824 CTJWXNVZDGCCSX-MRXNPFEDSA-N 476.942 4.338 5 1 JIBF O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4054069 ZZNTXGYNEHSROP-QNWVGRARSA-N 465.893 4.190 5 1 JIBF CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 95558231 HIOVPMQGACDEML-INNIVPSYSA-N 476.746 4.491 5 1 JIBF Cc1c(Br)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1C 587264071 KIZIOJIDCIYACH-BMLIUANNSA-N 464.276 4.293 5 1 JIBF CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCCCCC(=O)O 8628897 RQTQCYHOOHOASI-HSZRJFAPSA-N 481.505 4.324 5 3 JIBF O=C(CCN1CC[C@H](F)C1)Nc1ccc2cc3ccc(NC(=O)CCN4CC[C@H](F)C4)cc3nc2c1 58633593 LWWRDCOEZPEHNJ-SFTDATJTSA-N 495.574 4.133 5 1 JIBF in-vitro COC(=O)[C@H]1CCCCN1C(=O)c1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 103175462 BOLGISBOGIJPET-HXUWFJFHSA-N 467.518 4.195 5 1 JIBF O=C(CCNCCC(=O)Nc1ccc2ccc3cccnc3c2n1)Nc1ccc2ccccc2n1 299867113 PXBLDEJCXJJMIT-UHFFFAOYSA-N 464.529 4.278 5 1 JIBF Nc1cncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 587254718 WELGRFMDCYHQHN-UHFFFAOYSA-N 464.437 4.489 5 1 JIBF CCOc1ccc(-c2nn(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC 587669488 NROKBFBKONPSTR-UHFFFAOYSA-N 491.504 4.041 5 1 JIBF O=C(NC[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O 473105426 SHYAKAQTQUZCBK-AWEZNQCLSA-N 463.519 4.105 5 1 JIBF O=[N+]([O-])c1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc(I)c1O 963115197 UVZZBDAFEXWXNW-AWEZNQCLSA-N 465.074 4.447 5 1 JIBF Cn1nc(C(F)(F)F)cc1-c1ccc(C[C@@H](O)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 1857761722 LMTAQVMMKRJEMM-HXUWFJFHSA-N 457.412 4.476 5 1 JIBF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586965040 IDILNAMECXBFNV-UHFFFAOYSA-N 455.551 4.116 5 1 JIBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587263837 GHTPQFKJSVJQHJ-MLXNANBUSA-N 475.767 4.465 5 1 JIBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 963226263 DOSUCHQSNLBKSZ-ZCYQVOJMSA-N 455.470 4.410 5 1 JIBF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774087 OHRFBPXWSVTWRZ-KSSFIOAISA-N 499.520 4.079 5 1 JIBF COC[C@@H]1C[C@@H](COC)[C@@H]2N[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 27551028 KZUFDOMTNKRDOD-IFRHOVDESA-N 494.551 4.315 5 1 JIBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCC(C)C)cc1 774440 KBHTULLNAIVUPC-UHFFFAOYSA-N 453.451 4.430 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 587744648 FANQGKIPHSCYMO-MCMMXHMISA-N 478.362 4.329 5 1 JIBF C[C@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857619798 LKUVENVHGONQAD-INIZCTEOSA-N 452.307 4.401 5 1 JIBF Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 28969351 WQEMYKRXRWVIQN-UHFFFAOYSA-N 482.356 4.093 5 1 JIBF CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N(CCN(C)Cc2ccccc2)C(=O)N1 27892880 YMQZIAHMOKVIEJ-HSZRJFAPSA-N 466.538 4.019 5 1 JIBF C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)c(F)c1 103200290 BGPVRFYZOGJGNF-DMZKTXOQSA-N 455.467 4.403 5 1 JIBF C[N@@+]1(CCOCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 253684885 SNNSMXBTHSLXDC-ZUKKLESISA-O 456.610 4.391 5 1 JIBF NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263109 LYGLHNPXLJJEJQ-UHFFFAOYSA-N 451.380 4.112 5 1 JIBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 963155180 YAJIHHGFHLEFLM-ZWKOTPCHSA-N 470.507 4.178 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1ccc2ccccc2n1)C(Cl)(Cl)Cl 1857602646 YSOCVTNGFADWIX-MRXNPFEDSA-N 487.731 4.183 5 1 JIBF Cc1cc(OCCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c(C)cc(=O)oc2c1 1857770131 MELSRRGMGZRJFC-UHFFFAOYSA-N 451.523 4.299 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 586947900 BHCUSQBQSBWMKS-UHFFFAOYSA-N 470.438 4.085 5 1 JIBF COc1cc2c3c(c1)O[C@](C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O 587432307 JJAIJAPESRPFEO-HFJWLAOPSA-N 475.453 4.494 5 1 JIBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1NCCc2c1c(C(C)C)nn2C 962915081 FSRSNHLUTZHOLI-HSZRJFAPSA-N 450.495 4.266 5 1 JIBF O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080849 VROGYVYYICQGMS-HXUWFJFHSA-N 464.547 4.072 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1nc(-c2cnn3ccc(Br)cc23)cs1 103299125 UMRJPGNJODYIJC-UHFFFAOYSA-N 493.364 4.411 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587264793 TUEJTDCSJIXLPA-JTQLQIEISA-N 487.412 4.116 5 1 JIBF COC(=O)c1cc(Br)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587267015 RWLMCPABUCZVOR-QMMMGPOBSA-N 464.232 4.102 5 1 JIBF COc1cc(-c2ccc(-c3cn(Cc4ccc(C(=O)O)cc4[N+](=O)[O-])nn3)cc2)cc(OC)c1OC 84729122 VSKQLZAAKXCWLA-UHFFFAOYSA-N 490.472 4.293 5 1 JIBF CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)/C=C/CN(C)C 96928311 SYCDLHBLWKJQNK-AATRIKPKSA-N 464.881 4.095 5 1 JIBF O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085198 CICCCQKBQPXHRN-HXUWFJFHSA-N 454.552 4.330 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 586920409 PKKBLIGWXSNTEL-UHFFFAOYSA-N 464.219 4.226 5 1 JIBF O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\c1cccc(OCc2cn(Cc3ccccc3)nn2)c1 1772589172 OLSFPTJJTIJEMH-FSJBWODESA-N 453.458 4.306 5 1 JIBF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 767732 SPWZWIPQENWXGS-ILBGXUMGSA-N 491.500 4.029 5 1 JIBF O=C1NC(=O)c2c1c1c3ccc(CN4CCOCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 14945590 GYEYQBWBBUTVAF-UHFFFAOYSA-N 464.525 4.091 5 1 JIBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4295017 IOGSYPLUTNJWOF-RLLQIKCJSA-N 464.950 4.047 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(O)c([N+](=O)[O-])c1 587539839 KEAZAOSUIPKWSS-JXFKEZNVSA-N 458.220 4.471 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C 587865773 IITMYHQELRLRJX-GFCCVEGCSA-N 451.405 4.357 5 1 JIBF O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Sc2ncc(Br)cn2)cc1 36311014 VGWNSNNCXCIKIF-UHFFFAOYSA-N 474.296 4.260 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 587579414 ZSDJHXWPXABTLE-QPPBQGQZSA-N 459.414 4.236 5 1 JIBF Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCC[N+]4(C)CCN(C)CC4)cc3)nnc2c1 96167717 NKMUMZMXKVQOGD-UHFFFAOYSA-N 488.616 4.119 5 1 JIBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 103341392 ZQSGUVZPLSWORF-AHECYTAQSA-N 450.875 4.219 5 1 JIBF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 587748247 SVFVXZRBJVGPRS-MQJDWESPSA-N 489.301 4.091 5 1 JIBF CCc1ccc(NC(=S)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 653804996 LQIQYROPKJDDPZ-JOCHJYFZSA-N 453.524 4.393 5 1 JIBF O=C(NCc1ccco1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 61959393 DSGKJWJPIKZWNT-OAQYLSRUSA-N 471.473 4.175 5 3 JIBF O=C(c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1)N1CCOCC1 82134994 MIDITRNSODQMPX-UHFFFAOYSA-N 487.438 4.155 5 1 JIBF O=C(CCN1CC[C@@H](F)C1)Nc1ccc2cc3ccc(NC(=O)CCN4CC[C@@H](F)C4)cc3nc2c1 58638472 LWWRDCOEZPEHNJ-NHCUHLMSSA-N 495.574 4.133 5 1 JIBF in-vitro COc1ccccc1CCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82134953 BSHSADWIRVMQHG-UHFFFAOYSA-N 463.538 4.443 5 1 JIBF COc1ccc2c(c1OC)[C@](C)(c1ccc([N+](=O)[O-])c(F)c1)N(C(=O)c1ccccc1N)CC2 963157443 QOVVHBJZPZPQTH-VWLOTQADSA-N 465.481 4.295 5 1 JIBF COCCCNC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147988 KLKJUDDBGAKXIO-UHFFFAOYSA-N 489.454 4.449 5 1 JIBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(CCC1OCCO1)CC3 95571831 ULFADTNGHKMNQB-UHFFFAOYSA-N 453.535 4.149 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 586920585 ULSOFWYCRVYAGP-UHFFFAOYSA-N 480.218 4.106 5 1 JIBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4295020 IOGSYPLUTNJWOF-HOJAQTOUSA-N 464.950 4.047 5 1 JIBF CCc1ccc(C(=O)N2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)cc1 299857936 FVNAOXSFSXDJLP-UHFFFAOYSA-N 492.479 4.108 5 1 JIBF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586980062 OJFKMYPEXCCRIP-UHFFFAOYSA-N 485.088 4.396 5 1 JIBF O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 587655155 UHLGHWLDWIAAHF-UHFFFAOYSA-N 491.312 4.402 5 1 JIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587267241 VVHPDZVPBYYODK-ZETCQYMHSA-N 450.205 4.013 5 1 JIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587267406 YNIBEKNCJLZVPG-ZETCQYMHSA-N 451.193 4.223 5 1 JIBF CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 587267786 QUKSRJOIHVRDMV-UHFFFAOYSA-N 482.566 4.078 5 1 JIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])c(OC)c1)CC2=O 587470478 KAABGHQTTPWMHO-FQEVSTJZSA-N 453.451 4.494 5 1 JIBF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4054063 ZZNTXGYNEHSROP-QZNHQXDQSA-N 465.893 4.190 5 1 JIBF CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@H]12)c1ccc(Cl)cc1 299815121 CGYCEJGQMYDKDT-UBSRYMMFSA-N 486.952 4.125 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 587750512 IIVNPNUHLYVHRF-YUNKPMOVSA-N 461.291 4.353 5 1 JIBF COc1ccc(Cl)cc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1857629058 BZCCICIOWZFQOT-UHFFFAOYSA-N 475.910 4.091 5 1 JIBF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207587 HCMRLOAIQBUHKI-PKOBYXMFSA-N 452.294 4.146 5 1 JIBF CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C[C@@H]1CCCO1 587196649 USQMIUXHJLGDDX-LBPRGKRZSA-N 455.309 4.150 5 1 JIBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCN(C)CC1 4213216 YBUJVRDQQBJVIX-GOTSBHOMSA-N 494.036 4.016 5 1 JIBF O=C(/C=C/c1ccc(-n2ccnc2)nc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 49047602 JOQVYBHIXXXINH-WTDSWWLTSA-N 467.445 4.081 5 1 JIBF C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O 73198901 GWNCFDPHLBZSOJ-HXUWFJFHSA-N 493.608 4.143 5 1 JIBF O=[N+]([O-])c1ccc(SC(=S)N2CCN(Cc3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 95578422 HUOKYZDXWZSSBQ-UHFFFAOYSA-N 497.396 4.460 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C(F)(F)F)cc12 101046680 BGMFAXNBXUEDNN-PEBXRYMYSA-N 491.422 4.147 5 1 JIBF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc([N+](=O)[O-])ccc5[nH]4)[nH]c23)cc1 586954054 ZVJYUGHYFJRUMM-UHFFFAOYSA-N 463.475 4.429 5 1 JIBF Cc1cc(-n2cc(CNc3ccc4c(=O)n(-c5ccccc5)c(C)nc4c3)nn2)ccc1[N+](=O)[O-] 1857563680 XEBKAPYULXYLFL-UHFFFAOYSA-N 467.489 4.104 5 1 JIBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774646 VLGRYAYBOQFZST-BLLLJJGKSA-N 487.896 4.436 5 1 JIBF CC(=O)N1N=C(c2cc3cc(Br)ccc3oc2=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 98083065 PYLFGTRYXOIGSC-SFHVURJKSA-N 456.252 4.161 5 1 JIBF O=C(O)Cn1cc(I)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)n1 587186118 RPOKQBJYNPJEDB-UHFFFAOYSA-N 468.254 4.422 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1cccn1Cc1ccccc1[N+](=O)[O-] 963146340 MZMKMCBRVXARJN-RTBURBONSA-N 484.534 4.237 5 1 JIBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 773526 ZPWHQVHVORMEIR-CXAGYDPISA-N 487.484 4.210 5 1 JIBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC 4153885 ZBOXRGIXWKYXDR-UTBIPKPBSA-N 489.956 4.262 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215209 PTXHRWYEJMRQHI-SQZWAXCWSA-N 479.574 4.149 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN(CC)CC 4212627 YEZGFNWOWWBTKX-PKTZIBPZSA-N 478.590 4.084 5 1 JIBF COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN(C)C)ccc32)cc(OC)c1 64528003 BFMCYRVDNYTQQJ-UHFFFAOYSA-N 459.546 4.110 5 1 JIBF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080848 VROGYVYYICQGMS-FQEVSTJZSA-N 464.547 4.072 5 1 JIBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc([N+](=O)[O-])c4[nH]2)cn3C2CC2)CC1 587172694 KKBUHJBZFFFZCG-UHFFFAOYSA-N 476.512 4.069 5 1 JIBF CC(C)CCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br 587260636 XAEHTROYYBBWHI-RDBSUJKOSA-N 452.349 4.411 5 1 JIBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cc([N+](=O)[O-])cn1 587574697 GMOJVWPEETYXGL-DHLKQENFSA-N 473.441 4.257 5 1 JIBF Cc1c([N+](=O)[O-])cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587656311 JNRSPHQNPSBNHU-UHFFFAOYSA-N 466.356 4.155 5 1 JIBF CC[C@@H]1Oc2c(ccc3c(=O)c4c(O)cc(O)cc4oc23)O[C@@H]1c1cc(OC)c(O)c(OC)c1 2356558942 RFKZLHGGNRZIBK-NPMXOYFQSA-N 466.442 4.371 5 1 JIBF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4152694 AYSPJJCXYHGLKB-FYYLOGMGSA-N 471.510 4.019 5 1 JIBF COc1cc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc(OC)c1OC 299839068 PPXAZQGWZSHZMY-LJQANCHMSA-N 455.470 4.177 5 1 JIBF COc1cncc(N)c1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 587254082 LDEBYSJJKSZUEY-UHFFFAOYSA-N 494.463 4.498 5 1 JIBF O=[N+]([O-])c1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c([N+](=O)[O-])c1 587264064 JTFDXPZDAGFWHV-UHFFFAOYSA-N 456.050 4.495 5 1 JIBF COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147865 RUSLOBPTXFKFNW-JHOJWFKBSA-N 467.570 4.301 5 1 JIBF CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2F)CC1 103245410 XZCFZLFFTYBWAN-IZZDOVSWSA-N 470.501 4.443 5 1 JIBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 587264319 LIAOFXALDHRSPJ-UOWDBTKRSA-N 470.667 4.329 5 1 JIBF CC(=O)[C@H](C(=O)Nc1c(C)cccc1C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 206063059 PDIXTPSKDWNQOW-RUZDIDTESA-N 459.502 4.384 5 3 JIBF C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)c(F)c1 103200292 BGPVRFYZOGJGNF-WHEQGISXSA-N 455.467 4.403 5 1 JIBF O=C1Nc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2/C1=C/Nc1ccccc1[N+](=O)[O-] 200773719 PFKJOZIGXVLBJC-AQTBWJFISA-N 484.921 4.132 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccnc(Br)c2[nH]1 587055909 RHUYZHGQMJQRQK-ZDUSSCGKSA-N 452.696 4.409 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(Br)c1O 587541354 TZXMGIALRHRXSK-OXJNMPFZSA-N 458.220 4.471 5 1 JIBF CN(C)CCOc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587118630 QFAVZCUESDAVMT-UHFFFAOYSA-N 474.443 4.342 5 1 JIBF Cn1cnnc1Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587614844 VKTUFOZYQADCCU-SIKLNZKXSA-N 476.470 4.283 5 1 JIBF O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2c(sc3ncnc(Nc4cccc(F)c4)c23)C1 1857558700 PRRUCDFYOKQXGQ-UHFFFAOYSA-N 485.522 4.229 5 1 JIBF CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206555 FRGVICNEWRUCPU-CTNGQTDRSA-N 479.364 4.451 5 1 JIBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207627 CGDSQQDHBOJFLL-SAJDGTNDSA-N 478.332 4.413 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 587866233 XYZZAERROGWVPH-UHFFFAOYSA-N 451.405 4.420 5 1 JIBF O=c1nc(N2C[C@@H]3C[C@H](C2)N3CC2CCCCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857565465 JHNLVDHORDBNGZ-GASCZTMLSA-N 468.501 4.427 5 1 JIBF COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207588 HCMRLOAIQBUHKI-IEBWSBKVSA-N 452.294 4.146 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN(CC)CC 4212624 YEZGFNWOWWBTKX-DHIUTWEWSA-N 478.590 4.084 5 1 JIBF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 586930269 JGRKLSPTCBPHMP-UHFFFAOYSA-N 471.583 4.467 5 1 JIBF Cc1onc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080275 SRHNLDVPIOTXTO-UHFFFAOYSA-N 460.841 4.429 5 1 JIBF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587140702 IZULNZFCQTWRRD-MRXNPFEDSA-N 458.874 4.468 5 1 JIBF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21 587576942 QFLYDFAHGVQVQQ-WNCULLNHSA-N 481.416 4.456 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(O)c2c1 587621761 ZJPRUIFQYMGCQS-UHFFFAOYSA-N 484.446 4.166 5 1 JIBF O[C@H]1[C@H](O)CO[C@H](n2c3ccc(Cl)cc3c3ccc4c5ccc(Cl)cc5[nH]c4c32)[C@@H]1O 2356785840 XTRRPGKBCKWWND-MSYGRNIXSA-N 457.313 4.347 5 1 JIBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCCC[C@H]2C(=O)O)ccc1[N+](=O)[O-] 13553379 RRCTYJWHENGISB-MPSQCAORSA-N 461.559 4.454 5 1 JIBF CCOC(=O)N1C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 26476352 ADCRHBGKHKMHMJ-XMMPIXPASA-N 494.548 4.476 5 1 JIBF CN[C@@H]1C[C@@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 100252542 HKSZLNNOFSGOKW-XMTHYGGDSA-N 466.541 4.354 5 1 JIBF NC(=O)c1cc(N2CCC(c3nc4cc(Br)cc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262898 HIUZUEDWOJVEKI-UHFFFAOYSA-N 478.734 4.370 5 1 JIBF O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1cccc([N+](=O)[O-])c1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 40430531 APXVSVMGXYYIML-IBGZPJMESA-N 478.468 4.061 5 1 JIBF O=C(NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82157136 BQJUIVATGLMWJV-KRWDZBQOSA-N 462.384 4.165 5 1 JIBF COC(=O)c1nc(CCc2ccc3ccc4cccc5ccc2c3c45)n(COCCOC(C)=O)n1 95561664 UFALDATYUCNZBV-UHFFFAOYSA-N 471.513 4.285 5 1 JIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c1)O2 587409200 KVNMHERSMALXFK-QFIPXVFZSA-N 452.488 4.166 5 1 JIBF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(F)cc([N+](=O)[O-])c3)nc1-2 587160442 RUXKRRYBTHAGCQ-UHFFFAOYSA-N 499.441 4.200 5 1 JIBF N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587183862 KEMPDRMGEGZRBC-NSHDSACASA-N 487.095 4.081 5 1 JIBF COC(=O)C[C@@]1(Cc2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748198 SPXOBXIGNSWJTE-FKIZINRSSA-N 451.292 4.032 5 1 JIBF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653785955 WXFJAWWXWDNJPZ-BXKMTCNYSA-N 489.532 4.351 5 1 JIBF CC[C@H]1Oc2c(ccc3c(=O)c4c(O)cc(O)cc4oc23)O[C@H]1c1cc(OC)c(O)c(OC)c1 2356558941 RFKZLHGGNRZIBK-CMJOXMDJSA-N 466.442 4.371 5 1 JIBF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc([N+](=O)[O-])cn1 587753348 VFACSOOCZLQIRY-LAJNKCICSA-N 475.318 4.373 5 1 JIBF COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC 775845 YFIXJUWXFYNPHB-UHFFFAOYSA-N 497.504 4.266 5 1 JIBF CC(=O)OCC(COC(C)=O)(COC(C)=O)NCc1ccc2ccc3cccc4ccc1c2c34 26472804 BPKYWDRHNJIDMA-UHFFFAOYSA-N 461.514 4.102 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 72124537 DBPTUQJZPRZEMN-SFHVURJKSA-N 465.384 4.214 5 1 JIBF O=c1c2cc(Br)ccc2nc2c3ccccc3c(NCCN3CCCCC3)nn12 1772578304 HLWRYOZTJRJFON-UHFFFAOYSA-N 452.356 4.056 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccnc(Br)c2[nH]1 586948764 NLBGBWMLXJWBIQ-UHFFFAOYSA-N 488.323 4.405 5 1 JIBF CCOC(=O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431426 DYQPJKKYAWFEFH-RLWLMLJZSA-N 459.454 4.471 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cn3)c(C)c2c1 587621285 RWDRHHMYXIYIGZ-UHFFFAOYSA-N 456.455 4.395 5 1 JIBF COc1ccc(-c2ccc([C@H]3N[C@@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)o2)cc1[N+](=O)[O-] 962627611 HCKTVJQNPPQDQH-QRWLVFNGSA-N 478.379 4.450 5 1 JIBF Cc1ccc(C(=O)Nc2cccc([C@@]3(C)NCCc4ccc(C(=O)N(C)C)cc43)c2)cc1[N+](=O)[O-] 962929688 VSMHYURZHGCHKK-HHHXNRCGSA-N 472.545 4.267 5 1 JIBF O=C1Nc2ccc([N+](=O)[O-])cc2C12c1c(c3ccccc3oc1=O)Oc1c2c(=O)oc2ccccc12 1857561892 LVSBMANNNRTFHP-UHFFFAOYSA-N 480.388 4.200 5 1 JIBF O=[N+]([O-])c1cn2c(n1)SC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 1857761141 RWCHPOUVGRVCDM-INIZCTEOSA-N 452.414 4.443 5 1 JIBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263805 OODYDVCTHKUICB-JLZZUVOBSA-N 474.439 4.495 5 1 JIBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 587265567 GBJZSJDGBGUJGK-APPDUMDISA-N 459.422 4.010 5 1 JIBF C[C@@](O)(COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857549796 WBGWSOXKGLNHRY-MRXNPFEDSA-N 452.307 4.401 5 1 JIBF O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@]23CCCN13 206040548 XXVFQTZKZRNREQ-DDRRAVBJSA-N 497.617 4.056 5 3 JIBF O=C(CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)N[C@H]1CCCc2ccccc21 13586574 ZBUOQRCOVPVZEE-QHCPKHFHSA-N 450.583 4.471 5 1 JIBF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1cc([N+](=O)[O-])cn1 587748674 BCXLNBANVZFJJZ-GTJPDFRWSA-N 491.317 4.362 5 1 JIBF CCCCOCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82081092 NNJWIGZSFOFCLZ-FQEVSTJZSA-N 497.573 4.419 5 1 JIBF CS(=O)(=O)c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl 586924454 ALYUJACKMMIJJP-UHFFFAOYSA-N 466.647 4.236 5 1 JIBF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccc([N+](=O)[O-])n1 587750111 GPSYDGALDCITIP-LAJNKCICSA-N 475.318 4.373 5 1 JIBF Cc1nc2ccc3ccc(CNc4ccc(C(=O)C[C@@H](CCC(=O)O)C(=O)O)cc4)cc3c2c(=O)[nH]1 45229483 HNZJLHRNZCZUCM-LJQANCHMSA-N 487.512 4.135 5 1 JIBF COC(=O)c1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2cc1OC 586947822 ADHHCQARUQIPCI-UHFFFAOYSA-N 496.501 4.043 5 1 JIBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 587265570 GBJZSJDGBGUJGK-PIGZYNQJSA-N 459.422 4.010 5 1 JIBF COc1ccc2c(c1)[C@H](C[N+]1(C)CCCC1)N(C(=O)[C@H]1CC(=O)c3ccc(Cl)cc31)CC2 653831281 BJZHYIALZJZQOK-ZEQRLZLVSA-N 453.990 4.385 5 1 JIBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055674 BJUPUJUHLPDZBH-LYSIVYOWSA-N 478.332 4.413 5 1 JIBF O=C(N[C@H](COCc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085991 RFPQMVKWLVWYAB-OAQYLSRUSA-N 494.573 4.046 5 1 JIBF COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1OC 586949435 WHNOTRKTQNODGH-UHFFFAOYSA-N 496.501 4.043 5 1 JIBF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653785958 WXFJAWWXWDNJPZ-XDHUDOTRSA-N 489.532 4.351 5 1 JIBF CCOC(=O)C1=C(C)N[C@@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64538991 IJTLZEBTGQCKGE-ISKFKSNPSA-N 479.562 4.165 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)c(Oc3ccccc3)c1)C2 72179666 TUNHTODKEXHWFF-AWEZNQCLSA-N 450.373 4.033 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102580340 KYKZJOSAKACDDO-WWEWDKITSA-N 470.957 4.124 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587264446 RUDZLUFPFMYAAF-SECBINFHSA-N 478.255 4.283 5 1 JIBF COC(=O)c1ccc(Oc2ccc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3c2)cc1 587269657 LGQAAAJJEZPXKP-UHFFFAOYSA-N 456.418 4.298 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)c1ccccc1 4275109 JBHLWUKDAYFHQZ-GVXSCFBNSA-N 499.564 4.476 5 1 JIBF O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 253700271 JWYHGTVIHUDYLN-WGSAOQKQSA-N 468.579 4.018 5 1 JIBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586935943 KFBGGCARVVOKHV-SFHVURJKSA-N 463.588 4.432 5 1 JIBF O=[N+]([O-])c1cccc(-c2ccc(S(=O)(=O)N(CCCCO)c3ccnn3-c3ccccc3)cc2)c1 13864532 VDHXMGDNYPADGQ-UHFFFAOYSA-N 492.557 4.415 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587264468 SHNKJYMXWHIPJY-SSDOTTSWSA-N 459.768 4.236 5 1 JIBF CN[C@@H]1C[C@@H]2O[C@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 169710037 YISMQBFJYDFMAL-HHZLVXLISA-N 452.514 4.180 5 1 JIBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCOc2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 169723565 VFPQFQROYHNIGP-UNMCSNQZSA-N 486.908 4.492 5 1 JIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1F 587117886 HHYMNNBOANCYFQ-UHFFFAOYSA-N 450.308 4.449 5 1 JIBF Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)c([N+](=O)[O-])c2)c(C)c1 587654696 NEHOVSLSIKZOFS-UHFFFAOYSA-N 484.921 4.365 5 1 JIBF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4206815 OPXXQHGSWMJRSJ-FPOVZHCZSA-N 461.902 4.274 5 1 JIBF COC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745279 HEISOFHCHYDIRC-GIGQVBGESA-N 452.280 4.472 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586948799 OPFCPUXUKRPSIW-UHFFFAOYSA-N 480.502 4.409 5 1 JIBF CCOC(=O)C1=C(C)N=C(CCn2ccnc2)/C(=C(/O)OCC)[C@H]1c1ccccc1[N+](=O)[O-] 27719190 MPRLGTHUYCMEDQ-SSRRSSPNSA-N 454.483 4.063 5 1 JIBF COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc1)CC2 40900435 CJHWDSXWAYHSKN-UHFFFAOYSA-N 491.544 4.230 5 1 JIBF CCOC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(C)=C(C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 96917947 ABLKEHZMFLWIDA-QHCPKHFHSA-N 480.473 4.211 5 1 JIBF CCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br 587265840 XPQBGPAESWBOPV-XTZNXHDOSA-N 494.302 4.465 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 587843549 ISJZCVVJDAJUPC-YPMLDQLKSA-N 478.347 4.400 5 1 JIBF O=C(NCc1ccc2c(c1)OCO2)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135261 PLKFFSARUIFKBR-UHFFFAOYSA-N 475.505 4.455 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586942761 ISQVSBPIJNURSH-UHFFFAOYSA-N 494.154 4.061 5 1 JIBF Cc1c(Br)cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1C 587262901 HLPQOLOCSUHSTE-UHFFFAOYSA-N 472.343 4.333 5 1 JIBF O=C([C@@H]1CCCCN1Cc1c(F)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66128685 HAFKLLRMCQUCBN-QFIPXVFZSA-N 460.937 4.091 5 1 JIBF CCCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 82148250 WCMJXIITCYYXDT-UHFFFAOYSA-N 465.510 4.211 5 1 JIBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 587264678 PKQCAZXATNIPJM-JKYUHCHBSA-N 470.667 4.329 5 1 JIBF COc1cc(-c2ccc3c(c2)Nc2ccc(NC(=O)Cc4cnc[nH]4)cc2NC3=O)ccc1[N+](=O)[O-] 71788693 ZVOATHDAEJZYKR-UHFFFAOYSA-N 484.472 4.484 5 1 JIBF Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174542 OERQBRQKUJJILF-IBGZPJMESA-N 484.516 4.384 5 1 JIBF C[C@H](NC(=O)c1cc2c(=O)n3cccc(Cl)c3nc2n(Cc2ccccc2)c1=N)c1ccccc1 1857761511 ZIOBEPKVWPZJJX-KRWDZBQOSA-N 483.959 4.321 5 1 JIBF CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587743808 BUYOXNVKKLROLI-YUNKPMOVSA-N 451.292 4.227 5 1 JIBF O=C(NCc1ccc2c(c1)CCN(c1ccc(F)cc1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857767937 OCBBYFYEBLISSQ-UHFFFAOYSA-N 450.426 4.135 5 1 JIBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4275103 XMGZDJUEDZUGKW-TUACAJSNSA-N 483.521 4.187 5 1 JIBF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 49111226 ZOZDTKDXZGWUSA-QFIPXVFZSA-N 481.461 4.044 5 1 JIBF O=c1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(Cc2ccccc2)c1I 222057390 DPJWAEAWNMIKNH-UHFFFAOYSA-N 479.299 4.166 5 1 JIBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 587270753 ZYHZHMIUMITNFN-UHFFFAOYSA-N 474.271 4.162 5 1 JIBF COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 587388926 HUZQGZUXZDWMRN-VWLOTQADSA-N 462.458 4.246 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215280 PSSJOCNSEWDUHG-WDNCENIBSA-N 497.548 4.057 5 1 JIBF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)c1C 5538197 XFAODVZUFBJNCF-UHFFFAOYSA-N 488.525 4.339 5 1 JIBF CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163883 MUBPLPYQFYSFDA-UHFFFAOYSA-N 452.515 4.296 5 1 JIBF CCCc1c(OCCCOc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)ccc(C(C)=O)c1O 169337581 WEVVMOKGRODSBY-UHFFFAOYSA-N 457.435 4.115 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(I)cc2[nH]1 587264804 TVYKWIBLNDLQCM-SNVBAGLBSA-N 481.246 4.427 5 1 JIBF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1cc([N+](=O)[O-])cn1 587748677 BCXLNBANVZFJJZ-XUSGNXJCSA-N 491.317 4.362 5 1 JIBF Cn1c(SCc2ccc(Br)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857541057 DXCHWWOQBNLVJQ-UHFFFAOYSA-N 450.274 4.353 5 1 JIBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 775112 ZCVSOIKAHIVELQ-CXAGYDPISA-N 487.484 4.210 5 1 JIBF Cc1ccc(S(=O)(=O)/N=[S@](\C)c2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)cc1 169338600 ATIUFXVFLRTQSR-SSEXGKCCSA-N 455.513 4.132 5 1 JIBF O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3cnc4[nH]ccc4c3)nc12 205655833 VVVPWJKRDCCYGB-UHFFFAOYSA-N 474.402 4.184 5 1 JIBF C[N@+]1(CCOCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 253684879 SNNSMXBTHSLXDC-WXGMZPBLSA-O 456.610 4.391 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCn2ccc([N+](=O)[O-])n2)cc1 587578073 PZQYYWJPGNNNRX-ZJSXRUAMSA-N 459.414 4.236 5 1 JIBF Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)c2n1 587280201 NRYUUQUSXIMALD-UHFFFAOYSA-N 470.367 4.342 5 1 JIBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(Br)cccc3[N+](=O)[O-])N12 962666328 MYPRXSCHCLSECP-RXVVDRJESA-N 456.296 4.094 5 1 JIBF Cc1ccc(Cl)cc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1 2462743 VFQHOJSVXXQZDZ-RBUKOAKNSA-N 467.890 4.371 5 1 JIBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC 4153884 ZBOXRGIXWKYXDR-ARMUOXMJSA-N 489.956 4.262 5 1 JIBF C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-c4nc5ccc([N+](=O)[O-])cc5s4)cn1c23 43011919 FFVYZGDHPFNTCQ-ZDUSSCGKSA-N 495.536 4.031 5 1 JIBF CN[C@@H]1C[C@@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c(CO)c(CO)c4c5ccccc5n2c4c31 101210986 LTDJBWOPRLOAFA-HIYJGCFHSA-N 471.557 4.095 5 1 JIBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H](C)C(C)C)cc1 774325 HBWGTHIYKQLLAH-ZDUSSCGKSA-N 453.451 4.428 5 1 JIBF CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206559 FRGVICNEWRUCPU-TZIWHRDSSA-N 479.364 4.451 5 1 JIBF Cc1nn(C[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] 587656729 LLBNCPMNEKSOSQ-LBPRGKRZSA-N 467.432 4.040 5 1 JIBF CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587746443 JZJCDMVLJBJHFP-MPBGBICISA-N 451.292 4.227 5 1 JIBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774085 OHRFBPXWSVTWRZ-KBXCAEBGSA-N 499.520 4.079 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3Cl)nc1)C2 66252283 SAJAZDMCTWKYAB-ZDUSSCGKSA-N 470.791 4.383 5 1 JIBF C[N@+]12CC[C@@H]1[C@@H](NC(=O)c1ccccc1Nc1ccc3c(/C=C/c4ccccn4)[nH]nc3c1)C2 1772577835 YWVYBHKMCXGZFF-RLYJWURVSA-O 451.554 4.203 5 1 JIBF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4152692 AYSPJJCXYHGLKB-GGAORHGYSA-N 471.510 4.019 5 1 JIBF CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748778 WJELMJXFKSOAHR-MPBGBICISA-N 451.292 4.227 5 1 JIBF CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N(CCN(C)Cc2ccccc2)C(=O)N1 27892886 YMQZIAHMOKVIEJ-QHCPKHFHSA-N 466.538 4.019 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc(Br)c2[nH]1 587054709 LPBOUQJKFGWQHC-AWEZNQCLSA-N 452.696 4.409 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 587747364 NDSOTAQQBBJWAZ-DMZKTXOQSA-N 472.314 4.474 5 1 JIBF Cc1ccccc1-c1cc(C(=O)NCC2CC2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 36387810 XLEFBSFCTOUSRL-HXUWFJFHSA-N 459.506 4.100 5 3 JIBF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774663 IVOBIJKZVCANJS-LBPRGKRZSA-N 475.885 4.088 5 1 JIBF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774664 IVOBIJKZVCANJS-GFCCVEGCSA-N 475.885 4.088 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@H]3CCCc4cc([N+](=O)[O-])ccc43)C(F)(F)F)cc12 101509253 VUBJMTZAKOQLNY-FPTDNZKUSA-N 491.422 4.147 5 1 JIBF CC[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@H]12)c1ccc(Cl)cc1 299815114 CGYCEJGQMYDKDT-DOLJBUASSA-N 486.952 4.125 5 1 JIBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 587264680 PKQCAZXATNIPJM-NXSYQRQQSA-N 470.667 4.329 5 1 JIBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587751718 OGGZZZQTGBLWJH-LRTDBIEQSA-N 464.335 4.312 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(O)c([N+](=O)[O-])c1 587539840 KEAZAOSUIPKWSS-OXJNMPFZSA-N 458.220 4.471 5 1 JIBF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@@H](O)C[N+](C)(C)C[C@H]1CO1 299823460 DRSIARPQBQOMIB-ZEXDURJKSA-N 458.663 4.200 5 1 JIBF O=C1COc2cc(Br)ccc2N1CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587003665 VZHZFIQEQZINDZ-UHFFFAOYSA-N 474.318 4.390 5 1 JIBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587748011 ROQGUJCRIMPMRU-LRTDBIEQSA-N 465.319 4.422 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)OCc2ccc([N+](=O)[O-])cc2)N1 587749571 DQQPASMGHXOBCL-FKIZINRSSA-N 451.292 4.379 5 1 JIBF CCOc1cc([C@@H]2CC(c3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)=NN2)ccc1O 5579442 AYTYZPXNHKCAOG-NRFANRHFSA-N 496.545 4.247 5 1 JIBF Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4c(c3c21)C(=O)NC4=O 13535157 APPFRBZOALDJNI-UHFFFAOYSA-N 466.541 4.114 5 1 JIBF Cc1nnc2n1-c1sc(I)cc1C(c1cc([N+](=O)[O-])ccc1Cl)=NC2 13821145 GSVGVEUTPNRRDW-UHFFFAOYSA-N 485.694 4.154 5 1 JIBF O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccc(Cl)cc4Cl)nn3)s2)o1 73292808 LALHYAPAOZBOTR-UHFFFAOYSA-N 452.283 4.265 5 1 JIBF CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@]12C(=O)Nc1ccc(F)cc12 221604960 OJEXDCVVMDBSDN-HWBMXIPRSA-N 477.448 4.049 5 1 JIBF Cc1c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cccc1[N+](=O)[O-] 587260763 CZYLZZNAGHEFKH-UHFFFAOYSA-N 495.478 4.369 5 1 JIBF O=C1N[C@H](c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)Nc2c(I)cc(Cl)cc21 1857747548 VPCIWOYZMIDUFD-MRXNPFEDSA-N 495.664 4.097 5 1 JIBF CCC(=O)Nc1cc(C)c(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c([N+](=O)[O-])c1 26816927 GJWYTBGQACNLKE-UHFFFAOYSA-N 452.555 4.031 5 1 JIBF CCCN(CCCCNc1ccc([N+](=O)[O-])c2nonc12)[C@@H]1COc2cccc(OC)c2C1 29560420 HLUXBGATERNGEH-INIZCTEOSA-N 455.515 4.047 5 1 JIBF CCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C 32822155 JXGLGTFMAQOJBB-HEDKFQSOSA-O 466.576 4.207 5 1 JIBF endogenous,in-man O=C(O)c1c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc2n2c1sc1ccccc12 101152892 UKJZNUBRSCUEKN-UHFFFAOYSA-N 491.500 4.060 5 1 JIBF Cc1ccnc([C@]2(c3cccc([N+](=O)[O-])c3)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962666207 MJBGHLVWCVYZSH-SXOMAYOGSA-N 468.513 4.237 5 1 JIBF CN(c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCc1ccccc1)S(C)(=O)=O 29136113 QPZZTRLBLFHRDW-UHFFFAOYSA-N 489.937 4.475 5 1 JIBF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587267296 WSPWSCWQJGPWET-VIFPVBQESA-N 478.259 4.492 5 1 JIBF COC(=O)C[C@@]1(Cc2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342324 NAWDTUCJPPXMFH-ILBGXUMGSA-N 465.433 4.343 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Br 587863780 IBKGWKMRGQZCIU-UHFFFAOYSA-N 474.193 4.050 5 1 JIBF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 3422971 AWTUHYBYMWXJCQ-SFHVURJKSA-N 452.467 4.257 5 3 JIBF O=C(NCCCN1CCCC1=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2478481 JSXOJBSOHSWHQK-UHFFFAOYSA-N 486.887 4.452 5 1 JIBF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4036951 AKGOYWCYCCJDBM-IRLDBZIGSA-N 450.882 4.239 5 1 JIBF COc1ccc(Br)c(-c2nnc3sc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)nn23)c1 73297074 QCEZJKDSJSFBJB-UHFFFAOYSA-N 477.256 4.107 5 1 JIBF Cc1cc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2cc1[N+](=O)[O-] 586976691 BJYZLLDOWQIRRY-NSHDSACASA-N 470.121 4.253 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(I)cnc2[nH]1 587053047 ACGDJHVLKXVVQR-CQSZACIVSA-N 499.696 4.251 5 1 JIBF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc([N+](=O)[O-])c3OC)nc2c1 587260749 CDHWYYCOWBLBEQ-UHFFFAOYSA-N 450.245 4.095 5 1 JIBF COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)CCN1C 13863825 VKDICKOLJZIYGR-ACUNGTFPSA-N 483.590 4.198 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)ccnc2[nH]1 587055949 ROYJSRGSQVJXTN-CYBMUJFWSA-N 452.696 4.409 5 1 JIBF COCCNc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] 587262342 SJGZKDHTNHZJDI-UHFFFAOYSA-N 471.109 4.116 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1O 587540513 PCILSVWXQRLAQZ-OXJNMPFZSA-N 458.220 4.471 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 13878894 UDOXRFYLEIYVNO-XMMPIXPASA-N 483.528 4.031 5 3 JIBF O=C(Nc1ccc(C[C@H](Nc2ccc([N+](=O)[O-])cn2)C(=O)O)cc1)c1c(Cl)cncc1Cl 13442583 GEUAZGDNCFIZMN-INIZCTEOSA-N 476.276 4.052 5 1 JIBF O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H](O)COc1cccc2[nH]c3ccccc3c12 64447373 IJADQMRMZYBTRL-KRWDZBQOSA-N 472.457 4.231 5 1 JIBF O=C([C@H]1CCCCN1Cc1c(F)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66128684 HAFKLLRMCQUCBN-JOCHJYFZSA-N 460.937 4.091 5 1 JIBF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(F)cc4[nH]2)cn3C2CC2)C1 587173013 PUTPBAZAXIKEMO-CYBMUJFWSA-N 494.502 4.384 5 1 JIBF CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)c(C)n1 587620438 BZYHDPPXGBIVNE-UHFFFAOYSA-N 469.523 4.386 5 1 JIBF CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587742562 ASIBCYRSBPTTPM-QQKBFRNYSA-N 497.317 4.371 5 1 JIBF O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c([N+](=O)[O-])c1 587263827 FVWGSTHXJCWJRR-UHFFFAOYSA-N 487.881 4.424 5 1 JIBF Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)NC12CC3CC(CC(C3)C1)C2 84688023 OVESLQKLHGNHLY-UHFFFAOYSA-N 475.592 4.129 5 1 JIBF CCOC(=O)c1cnn(-c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)c1C(F)(F)F 587115237 PKBQIJHCHURZLR-UHFFFAOYSA-N 490.354 4.428 5 1 JIBF COCC[N@@+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 253686534 XEKBKFPFVCGCBX-ZORMNXRFSA-O 486.636 4.270 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 587748053 SACLJNSRGMWJRN-BIBXISHDSA-N 467.291 4.364 5 1 JIBF Cc1cccc(Nc2ncnc3sc4c(c23)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C4)c1 1857593902 JXPQSNXESGMTCD-UHFFFAOYSA-N 481.559 4.399 5 1 JIBF N=C(N)c1ccc2[nH]c(-c3cc([C@@H](CC(=O)O)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1 34804658 QVEAACTWBQGJBG-GOSISDBHSA-N 488.456 4.043 5 1 JIBF Cc1cc(C)c(Nc2nc(N)nc(NC3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)n2)c(C)c1 84711234 MAMGYYISIRHJTD-UHFFFAOYSA-N 462.558 4.107 5 1 JIBF O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)nn1-c1ncccc1Cl 103289822 HTVNYGUOQJCLRZ-UHFFFAOYSA-N 457.071 4.497 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3Cc4ccccc4C3=O)c2c1 587620493 DCDVWRIMIYKSOY-UHFFFAOYSA-N 492.513 4.354 5 1 JIBF COc1ccc2c(c1)[C@@H](C[N+]1(C)CCCC1)N(C(=O)[C@H]1CC(=O)c3ccc(Cl)cc31)CC2 653831278 BJZHYIALZJZQOK-BJKOFHAPSA-N 453.990 4.385 5 1 JIBF O=c1nc(N2C[C@@H]3CN(Cc4ccc(F)cc4)C[C@H]3C2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857599471 HEMZISWWZRKYBK-KBPBESRZSA-N 494.470 4.291 5 1 JIBF O=C(N[C@@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 13975415 ZLMYQVPAEPRSOY-WBYVMEGUSA-O 483.679 4.240 5 1 JIBF O=[N+]([O-])c1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1F 587157141 HDWZHPFCFORGNI-UHFFFAOYSA-N 450.199 4.347 5 1 JIBF CCOc1ccc(-c2nn(C(=O)[C@H](CC)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC 587668886 HQTQWBUHKGZOJL-FQEVSTJZSA-N 491.504 4.257 5 1 JIBF COc1ccccc1CCNC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82136029 YCYMPQPFUSZKNN-UHFFFAOYSA-N 461.522 4.023 5 1 JIBF CCN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82136113 ANMYJLQLQVMYTF-UHFFFAOYSA-N 459.428 4.457 5 1 JIBF O=c1nc(N2CCC(CN3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857651543 NTMAOBSXSWHDSA-UHFFFAOYSA-N 456.490 4.286 5 1 JIBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cc([N+](=O)[O-])cn1 587574699 GMOJVWPEETYXGL-RDGATRHJSA-N 473.441 4.257 5 1 JIBF C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655766 AJAIRBQSRXCSAN-ZDUSSCGKSA-N 451.385 4.358 5 1 JIBF CCOc1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC 587669413 LWVVKNCLPGMJBQ-UHFFFAOYSA-N 459.458 4.458 5 1 JIBF O=[N+]([O-])[C@@H]1[C@H](Cc2cnc[nH]2)N[C@]2(c3ccccc3-c3nc4ccccc4nc32)[C@H]1c1ccccc1 1911571092 LOSDALWTUOUYIS-QRDRLETPSA-N 474.524 4.221 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 13878836 KHMNCBCKCFATAN-JOCHJYFZSA-N 498.942 4.317 5 3 JIBF O=C(c1cccc(Cl)c1)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 72181738 ZZUAKAQHTQWKPK-INIZCTEOSA-N 496.829 4.447 5 1 JIBF COc1cccc(OC)c1CNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82134669 ONQUFVAYDKKDBI-UHFFFAOYSA-N 479.537 4.409 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587119572 ZLDLEICGFLIXLH-UHFFFAOYSA-N 457.166 4.152 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3cnccn3)c2c1 587620736 ZNFBJPMZSVMQIM-UHFFFAOYSA-N 493.423 4.361 5 1 JIBF Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2[N+](=O)[O-])cc1F 103200744 ZZKGNFKALLTDFL-HXUWFJFHSA-N 471.514 4.115 5 1 JIBF CN1C(=O)C[C@@H]2CN[C@@H](c3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)CC3)c3cccc1c32 963017515 CSWOIPKZLJXGBJ-WHLCRQNOSA-N 483.572 4.064 5 1 JIBF COc1cccc2c3c(cnc12)CCN[C@]3(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccc([N+](=O)[O-])cc1 963059276 QJBNVDUVIMDIKC-PAPQREIWSA-N 461.518 4.432 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)OCc2ccc([N+](=O)[O-])cc2)N1 587751155 LBPAOYIARMRUHM-MPBGBICISA-N 451.292 4.379 5 1 JIBF CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82219666 WQURKBXUVXDLCW-UHFFFAOYSA-N 460.519 4.390 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586948518 JRHQXKPCFDFZNK-UHFFFAOYSA-N 453.436 4.156 5 1 JIBF O=[N+]([O-])c1cccc2nc(-c3cc(I)ccc3I)[nH]c12 587178739 KGKOXTLJKAQEQG-UHFFFAOYSA-N 491.026 4.347 5 1 JIBF COc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O 1857757072 YHQOIFZLQXQSCP-UHFFFAOYSA-N 461.879 4.123 5 1 JIBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H](C)O1 586969623 XZLJYFJCUIBLRY-BETUJISGSA-N 468.514 4.459 5 1 JIBF C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656192 HGRGPEZAOMJHJM-CYBMUJFWSA-N 451.385 4.358 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(N)c2c1 587621732 YSDUSPDXGZNJPB-UHFFFAOYSA-N 452.492 4.443 5 1 JIBF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 772069 SRBBKKVDRKIEJM-CCMJGWDWSA-N 465.337 4.060 5 1 JIBF O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3C(=O)OCc3ccccc3)oc12 13526449 QGDODZKJZRDQPF-UHFFFAOYSA-N 459.410 4.352 5 1 JIBF CN[C@@H]1C[C@@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6c(n2c5c31)CCCC6)C(=O)N=C4 103546480 QHZYTTSLHQFFIQ-WIFUGMKFSA-N 468.557 4.409 5 1 JIBF in-vitro O=S(=O)(NCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1c(Cl)cccc1Cl 586941896 DCRGMQKACHWXMO-UHFFFAOYSA-N 472.357 4.487 5 1 JIBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587265370 PQXKOIXEDDLGGY-VIFPVBQESA-N 461.194 4.080 5 1 JIBF COCCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82134354 DSXJEMZYPOOEBL-UHFFFAOYSA-N 455.902 4.084 5 1 JIBF CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(=O)oc2c1ccc1ccccc12 1857746955 CPZOZZDGOHXMFW-OAQYLSRUSA-N 481.460 4.310 5 1 JIBF C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 4050795 XVNYNXRFNGMDNB-BEYHJKFUSA-N 477.448 4.432 5 1 JIBF O=C(CCN1CCCC1)Nc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 45245899 DGQVFNRZQQCUFE-UHFFFAOYSA-N 454.530 4.358 5 1 JIBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1 82083044 IPSWKNBHEIVJFM-LBPRGKRZSA-N 494.451 4.052 5 1 JIBF O=C1COc2cc(Br)ccc2N1CCc1nc2c3cccnc3c3ncccc3c2[nH]1 587004137 ZSFDCBTYHSVUIY-UHFFFAOYSA-N 474.318 4.390 5 1 JIBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962771062 URYPIECGDRWYAO-RBBKRZOGSA-N 459.399 4.254 5 1 JIBF COc1ccc2cc3[n+](cc2c1OC(=O)c1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2 1857597227 UIFHWXZTKOJFSO-UHFFFAOYSA-N 471.445 4.215 5 1 JIBF Cc1nnc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1)=N[C@H]2NC(=O)OCc1ccccc1 96284879 BTDOCEWVMOVHSS-QHCPKHFHSA-N 468.473 4.260 5 1 JIBF CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4208907 PMPFLIDXLPZXPU-PKOBYXMFSA-N 466.321 4.128 5 1 JIBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1=O 4214950 AECDNBKPCUPOEM-FCHUYYIVSA-N 478.977 4.391 5 1 JIBF N=C(N)c1ccc2[nH]c(-c3cc([C@H](CC(=O)O)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1 34804661 QVEAACTWBQGJBG-SFHVURJKSA-N 488.456 4.043 5 1 JIBF O=[N+]([O-])c1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2c1 587178367 AHNIPRLAKYVKAZ-UHFFFAOYSA-N 491.026 4.347 5 1 JIBF CCn1ncc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)c1C 587621203 RORZIKQYMUEGNU-UHFFFAOYSA-N 469.523 4.386 5 1 JIBF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1 653793623 ANSWUIBOAMGTKA-QFIPXVFZSA-N 495.923 4.308 5 1 JIBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 4213205 YBUJVRDQQBJVIX-PKTZIBPZSA-N 494.036 4.016 5 1 JIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587748846 WTTGHAZGLZVNLS-ZUNHGIIWSA-N 453.308 4.378 5 1 JIBF CN(C)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC3CC[N+](C)(C)CC3)cc12 1772611820 HDQVYBXLFHTPAJ-UHFFFAOYSA-N 461.630 4.405 5 1 JIBF CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857762386 MDGYRIXVHGENEC-QHCPKHFHSA-N 486.484 4.175 5 1 JIBF CC(C)COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 586919892 IXRSONYNWCSXCL-UHFFFAOYSA-N 468.329 4.242 5 1 JIBF COC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745281 HEISOFHCHYDIRC-OVWNDWIMSA-N 452.280 4.472 5 1 JIBF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774648 VLGRYAYBOQFZST-LRDDRELGSA-N 487.896 4.436 5 1 JIBF N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(F)cc4[nH]2)cn3C2CC2)C1 587173014 PUTPBAZAXIKEMO-ZDUSSCGKSA-N 494.502 4.384 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 587744652 FANQGKIPHSCYMO-XMHCIUCPSA-N 478.362 4.329 5 1 JIBF CCOC(=O)c1ccccc1[C@]1(c2ccc([N+](=O)[O-])cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963032854 VOMKTBIEWKDTDR-CRYYWNKWSA-N 471.513 4.117 5 1 JIBF O=C(NCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081160 YDXJCJSKVCJYKM-GOSISDBHSA-N 456.568 4.267 5 1 JIBF CC[C@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 82150088 DLJVZUUOSDJYQN-HNNXBMFYSA-N 465.510 4.209 5 1 JIBF O=C(COc1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)Nc1ccccc1F 587153745 BTBDBVMJXKYTMK-UHFFFAOYSA-N 451.370 4.203 5 1 JIBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc([N+](=O)[O-])cc1 1772639405 BPTAXYIMQVXUSV-UHFFFAOYSA-N 453.447 4.439 5 1 JIBF CN(CCC[N+]12CCC(CC1)[C@@H](NC(=O)C1(O)c3ccccc3-c3ccccc31)C2)c1ccccc1 142267206 SCKFVSKZQOECOJ-NJVNTDJYSA-O 482.648 4.155 5 1 JIBF Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n(C(N)=S)n3)cc2)cc1 299866580 PBHONALRACEMJK-UHFFFAOYSA-N 493.570 4.326 5 1 JIBF CN[C@@H]1C[C@@]2(C)O[C@@H]([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356314282 XTGJCWHCHWNXSE-OZSOFQIWSA-N 466.541 4.354 5 1 JIBF COc1cccc(-c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1 587621696 ZRLGQJYTLAYKTJ-UHFFFAOYSA-N 468.491 4.265 5 1 JIBF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 40896367 NUISOVXRADMEOO-UHFFFAOYSA-N 451.446 4.097 5 1 JIBF COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82224597 NNOHGXKXSDYDJX-SLWXAUBPSA-N 467.570 4.301 5 1 JIBF Cc1c(Br)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1C 587264073 KIZIOJIDCIYACH-DYZYQPBXSA-N 464.276 4.293 5 1 JIBF Cc1ccc2c(Nc3nc(N4CCOCC4)ncc3[N+](=O)[O-])c(C(=O)c3cccs3)[nH]c2c1 1772634029 IWEAUSXOXNXUFN-UHFFFAOYSA-N 464.507 4.047 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(Cl)c3)nc1)C2 66252284 BBDYLXMLKRJEST-ZDUSSCGKSA-N 470.791 4.383 5 1 JIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587270037 HZKASGSIJHVHRW-KRWDZBQOSA-N 471.926 4.168 5 1 JIBF COc1ccc(-n2cccc2[C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c([N+](=O)[O-])c1 962698638 NKBWMJPRSCDQGT-UZLBHIALSA-N 479.386 4.240 5 1 JIBF N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587183861 KEMPDRMGEGZRBC-LLVKDONJSA-N 487.095 4.081 5 1 JIBF CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587500937 FBIOFRYFHDXJSZ-AREMUKBSSA-N 499.491 4.216 5 1 JIBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCn1cc([N+](=O)[O-])cn1 587577616 TWHCGDHJNGQTGB-RCZVLFRGSA-N 489.440 4.245 5 1 JIBF CO[C@@H]1C[C@@]2(C)O[C@@H]([C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 2356690747 IPUGEHXWDXTWIF-MYQDRKQUSA-N 453.498 4.127 5 1 JIBF COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105175149 KDPZYJULCIYAFR-JKMAKKBCSA-N 467.570 4.301 5 1 JIBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccc(Cl)cc1)c1cccc2c1OCCO2 169337249 IUIAIUAAGTXYOP-TWGQIWQCSA-N 455.854 4.243 5 1 JIBF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCn1c([N+](=O)[O-])cnc1C 587431919 RRRLENIHZRNGAX-CJAUYULYSA-N 479.489 4.075 5 1 JIBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587751720 OGGZZZQTGBLWJH-ZSEKCTLFSA-N 464.335 4.312 5 1 JIBF O=C(CN1CCCCC1)Nc1cc2nc(CN3CCCCC3)[nH]c2c2c(=O)c3ccccc3oc12 29056726 YRSJEKGNSACEMC-UHFFFAOYSA-N 473.577 4.233 5 1 JIBF C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O 73198902 GWNCFDPHLBZSOJ-FQEVSTJZSA-N 493.608 4.143 5 1 JIBF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653785957 WXFJAWWXWDNJPZ-OSPHWJPCSA-N 489.532 4.351 5 1 JIBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055673 BJUPUJUHLPDZBH-WQZMEWCLSA-N 478.332 4.413 5 1 JIBF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCCc3ccccc3)[nH]c3ccc([N+](=O)[O-])cc23)c1 71316586 HCYAKUPQJAVYPS-UHFFFAOYSA-N 477.542 4.498 5 1 JIBF C[C@@](C(=O)O[C@H]1C[N+]2(CCOc3ccncc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73164242 FJOACQNMBCLIDI-PCUONRJLSA-N 464.630 4.014 5 1 JIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587267919 IKALHDAOPURFBE-UHFFFAOYSA-N 474.930 4.294 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)ncc2[nH]1 587057396 WDORQSWOYJHXOM-OAHLLOKOSA-N 452.696 4.409 5 1 JIBF CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(F)(F)F 587091954 JUMRQQLDRMMTPN-MRXNPFEDSA-N 459.222 4.397 5 1 JIBF NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82163662 CMSQYFZGIWGODB-OAHLLOKOSA-N 460.519 4.030 5 1 JIBF O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Cl 586947140 WYUSWLOHKPJXGK-UHFFFAOYSA-N 454.942 4.393 5 1 JIBF CCOc1ccc(-c2nn(C(=O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587668861 HCWHHXVHWGQTTE-UHFFFAOYSA-N 489.484 4.488 5 1 JIBF CC(=O)[C@@H](C(=O)Nc1c(C)cccc1C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 206063082 PDIXTPSKDWNQOW-VWLOTQADSA-N 459.502 4.384 5 3 JIBF CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C[C@H]1CCCO1 587196670 VEOPUFGFCDUMTK-LLVKDONJSA-N 455.309 4.150 5 1 JIBF Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267086 FHEPREURTAOCPT-UHFFFAOYSA-N 479.440 4.293 5 1 JIBF Cc1onc(-c2nc3c(F)c(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080319 UDEZDKIXSLZACH-UHFFFAOYSA-N 455.631 4.234 5 1 JIBF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 587091014 FNAFSKDHGQDTSB-UHFFFAOYSA-N 489.407 4.184 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 587863271 WRYIQJZYCSLEPW-UHFFFAOYSA-N 487.394 4.407 5 1 JIBF CCCCOCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080981 UJCXXEAAASXFPY-OAQYLSRUSA-N 497.573 4.419 5 1 JIBF COc1ccc2c(c1)CCN(C(=O)[C@@H]1CC(=O)c3ccc(Cl)cc31)[C@@H]2C[N+]1(C)CCCC1 209467023 ORPZFCAVJWIWEA-DNQXCXABSA-N 453.990 4.385 5 1 JIBF O=C(Cc1ccccc1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 1857547781 IBSJVRKAUPRSTR-HSZRJFAPSA-N 460.559 4.420 5 1 JIBF Cc1onc(-c2nc3c(Br)cc(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078898 CTUCURBLDOAEEV-UHFFFAOYSA-N 455.631 4.234 5 1 JIBF C[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C 587191159 LGAJQZZOWPYBTG-ZDUSSCGKSA-N 457.486 4.338 5 1 JIBF Cc1nn(Cc2ccccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)c1[N+](=O)[O-] 587267777 QQFWRIKNADKPHS-UHFFFAOYSA-N 470.493 4.059 5 1 JIBF CCOC(=O)c1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621165 QSLGXVQYZFMNGD-UHFFFAOYSA-N 496.501 4.124 5 1 JIBF COc1cc(Br)c([C@H](N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC 586976005 RLIZEGGXOMGEMX-AWEZNQCLSA-N 486.120 4.061 5 1 JIBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3c(Br)cccc3[N+](=O)[O-])N12 962666323 MYPRXSCHCLSECP-NQIIRXRSSA-N 456.296 4.094 5 1 JIBF Cc1cc(N(C)Cc2nc3c(Br)cnc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587137408 YTNBQBUAENCERL-UHFFFAOYSA-N 473.100 4.475 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCn2ccc([N+](=O)[O-])n2)cc1 587578071 PZQYYWJPGNNNRX-URXFXBBRSA-N 459.414 4.236 5 1 JIBF Cn1cnnc1Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587614845 VKTUFOZYQADCCU-UGKGYDQZSA-N 476.470 4.283 5 1 JIBF O=C(c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 3020414 URXDGQQHVGOSRC-UHFFFAOYSA-N 456.907 4.280 5 1 JIBF COc1cc(Br)c([C@H](N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC 586973951 AIZKKMIQYFBIEH-NRFANRHFSA-N 464.323 4.487 5 1 JIBF COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 767010 CMQOWYOXXLMLMY-UKILVPOCSA-N 493.491 4.202 5 1 JIBF Cc1c([C@@H](c2ccccc2[N+](=O)[O-])c2c(O)oc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 103949598 XNYTVFDXIYYSCM-HSZRJFAPSA-N 483.480 4.385 5 1 JIBF CCCC[P@@](=O)(O)C1=C[C@@H](NC(=O)CCCCCNc2ccc([N+](=O)[O-])c3nonc23)CC1 169729549 UUICRBWALNBAPG-HNNXBMFYSA-N 479.474 4.336 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)OCc2ccc([N+](=O)[O-])cc2)N1 587751156 LBPAOYIARMRUHM-ODXCJYRJSA-N 451.292 4.379 5 1 JIBF CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@]12C(=O)Nc1ccc(F)cc12 299849596 OJEXDCVVMDBSDN-SLSDLSHTSA-N 477.448 4.049 5 1 JIBF O=[N+]([O-])c1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1[N+](=O)[O-] 587119018 UDFLXPHRHZZGTO-UHFFFAOYSA-N 477.315 4.218 5 1 JIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587270803 PVNSVPCBYAMPBF-SFHVURJKSA-N 471.926 4.168 5 1 JIBF COc1ccc2c(c1OC)C[N@@+]1(CCCCCC(=O)O)CCc3cc4c(cc3[C@H]1C2)OCO4 1857558930 HHUNSMJXLZOMGF-JIPXPUAJSA-O 454.543 4.248 5 1 JIBF COc1cc(C[C@@H](O)c2ccc(-c3cc(C(F)(F)F)nn3C)cc2)c([N+](=O)[O-])cc1OC 1857762645 IXSXNWYTNJTEMB-QGZVFWFLSA-N 451.401 4.307 5 1 JIBF O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 3933592 ZLMYQVPAEPRSOY-WQDXHIQYSA-O 483.679 4.240 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 587667033 GHDLIQWCGKUCRQ-UHFFFAOYSA-N 458.474 4.212 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743943 CAQHRRMUMVAPTK-YBTHPKLGSA-N 466.307 4.283 5 1 JIBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3nc4ccccc4n3CCN(C)C)c2n1 1772639775 WUXPXMHTLBDWCV-UHFFFAOYSA-N 460.969 4.390 5 1 JIBF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774539 WDUVFZFYDIPKHF-RDJZCZTQSA-N 485.880 4.332 5 1 JIBF CN[C@@H]1C[C@H]2O[C@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 141386214 YISMQBFJYDFMAL-SDHXUUPWSA-N 452.514 4.180 5 1 JIBF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)CC1 586956451 BALUDUMNBQOVPV-UHFFFAOYSA-N 484.581 4.389 5 1 JIBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(I)c1O)CC2=O 587470187 FHALVWXWTRHWKK-INIZCTEOSA-N 469.231 4.270 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C(C)=O)c2c1 587621277 SVSKUXLXCAZWGA-UHFFFAOYSA-N 466.475 4.150 5 1 JIBF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 962634517 KFDMOMQYQWMIOZ-GCJKJVERSA-N 456.376 4.365 5 1 JIBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587265691 HCKJVEJRWQOJKW-YEJXKQKISA-N 461.434 4.144 5 1 JIBF N[C@@H](CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270066 JKNQMQRPOPEIDY-ZDUSSCGKSA-N 486.248 4.151 5 1 JIBF CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3c(O)cccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 38660803 YVTHZQUVPBXOSO-DUXQVBSFSA-N 482.540 4.060 5 1 JIBF O=[N+]([O-])c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Cl 587169642 FRGCKEQVPDDLAB-IBGZPJMESA-N 460.874 4.332 5 1 JIBF CC(C)CCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br 587260633 XAEHTROYYBBWHI-HZSPNIEDSA-N 452.349 4.411 5 1 JIBF CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743775 BMKGHICYMAASRK-FKIZINRSSA-N 451.292 4.227 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586942075 ZSLCUHPFTBSUMQ-UHFFFAOYSA-N 491.776 4.087 5 1 JIBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(I)c3[nH]2)CC1 587269160 HOVXCSBCEBUTCU-UHFFFAOYSA-N 476.274 4.096 5 1 JIBF N[C@@H](CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270009 HMGSMHXNMZQZNJ-ZDUSSCGKSA-N 475.349 4.407 5 1 JIBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1c([N+](=O)[O-])cccc1C(F)(F)F 963155196 YDJVYWHHKQSUIA-JSGCOSHPSA-N 473.429 4.406 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](c2c([N+](=O)[O-])cccc2C(F)(F)F)c2scnc2C[C@@H]1C(=O)O 963155197 YDJVYWHHKQSUIA-OCCSQVGLSA-N 473.429 4.406 5 1 JIBF O=C(NC[C@H]1CCCN(c2nc3ccccc3s2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O 473105427 SHYAKAQTQUZCBK-CQSZACIVSA-N 463.519 4.105 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587053885 HKHFCUVSSBRPGW-MRXNPFEDSA-N 462.806 4.068 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(CC(=O)O)c2c1 587619530 JKZDOINOKMMUET-UHFFFAOYSA-N 499.476 4.319 5 1 JIBF COc1ccc2c(c1)[C@@H](C[N+]1(C)CCCC1)N(C(=O)[C@@H]1CC(=O)c3ccc(Cl)cc31)CC2 653831279 BJZHYIALZJZQOK-DNQXCXABSA-N 453.990 4.385 5 1 JIBF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C 104108328 VUOJHSHIVWBYAP-GGBNCZTISA-N 451.435 4.204 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 587752050 PSXCZPHBLFVDTF-ODXCJYRJSA-N 461.291 4.353 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 587841446 AYCHOLJUBWXBST-MLCYQJTMSA-N 478.347 4.400 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587863164 SOXXKNPSYQYAMY-UHFFFAOYSA-N 461.356 4.012 5 1 JIBF CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccc([N+](=O)[O-])cc5[nH]4)c3)CC2)CC1 618009392 OGDHOCFBIRCAFI-UHFFFAOYSA-N 490.652 4.328 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587263643 NCQLHBPMWGNEGQ-JTQLQIEISA-N 492.282 4.371 5 1 JIBF O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 3422976 AWTUHYBYMWXJCQ-GOSISDBHSA-N 452.467 4.257 5 3 JIBF CSCc1cccc(N2CCN(c3cc4nc5c(cc4cc3F)c(=O)c(C(=O)O)cn5C)CC2)c1 28000253 ONEKTTMOORPBGY-UHFFFAOYSA-N 492.576 4.114 5 1 JIBF CS(=O)(=O)c1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(Cl)c1 73160846 KFBFNFWYBBFFDY-UHFFFAOYSA-N 450.911 4.369 5 1 JIBF C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(N)nc6)cc5c43)cc21 209010294 GXANJKDFGYJBEM-UHFFFAOYSA-N 459.509 4.258 5 1 JIBF O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Cl 586949827 BRVAKNZKDKZLBO-UHFFFAOYSA-N 486.893 4.364 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(Br)c1O 587541356 TZXMGIALRHRXSK-UZLBHIALSA-N 458.220 4.471 5 1 JIBF C[N@@+]12CC[C@@H]1[C@H](NC(=O)c1ccccc1Nc1ccc3c(C=Cc4ccccn4)[nH]nc3c1)C2 1857627874 YWVYBHKMCXGZFF-ZJDJHBDQSA-O 451.554 4.203 5 1 JIBF CCN(CC)CC/N=c1\c2cc(OC)ccc2[nH]c2c([N+](=O)[O-])ccc(NCCN(CC)CC)c12 31852782 XVFFUYLEENFENO-UHFFFAOYSA-N 482.629 4.234 5 1 JIBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1ccc([N+](=O)[O-])n1 587578809 RVQGVHUZHQJQJE-RDGATRHJSA-N 473.441 4.257 5 1 JIBF CCOc1c(OC(C)=O)ccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)c1[N+](=O)[O-] 962371986 IPZPAGSMDUDFCS-NRFANRHFSA-N 455.536 4.467 5 1 JIBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OCc3ccccc3)c2[nH]1 587266722 NKUKSLJIYXPZJI-SPLOXXLWSA-N 463.450 4.492 5 1 JIBF C[N@@+]12CC[C@@H]1[C@@H](NC(=O)c1ccccc1Nc1ccc3c(C=Cc4ccccn4)[nH]nc3c1)C2 1857627873 YWVYBHKMCXGZFF-REYAJUCUSA-O 451.554 4.203 5 1 JIBF O=[N+]([O-])c1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 587178676 IUJRBEDCYIAKPP-UHFFFAOYSA-N 491.026 4.347 5 1 JIBF COc1cc2c3c(c1)O[C@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587434498 WLKPODWLBOGELR-AFMDSPMNSA-N 474.469 4.059 5 1 JIBF CNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(Oc4ccccc4[N+](=O)[O-])cc3)n2)cc1 1772603578 XWQRPRJUZILTSI-UHFFFAOYSA-N 477.502 4.496 5 1 JIBF CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCCCCC(=O)O 8021529 RQTQCYHOOHOASI-QHCPKHFHSA-N 481.505 4.324 5 3 JIBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 27723823 MGJVYCJPLILCKO-SQYHMDOVSA-N 454.483 4.061 5 1 JIBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587263839 GHTPQFKJSVJQHJ-ZIDLFYJRSA-N 475.767 4.465 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 587750509 IIVNPNUHLYVHRF-MPBGBICISA-N 461.291 4.353 5 1 JIBF CC(=O)c1ccc2c(c1)[C@](C)(c1cccc([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962629386 NLAVTVYABYJIRW-RDPSFJRHSA-N 454.479 4.307 5 1 JIBF COc1cc2c(=O)n(CCCN3CCOCC3)c3c4ccccc4nc(Cl)c3c2cc1OC 66262667 ZSAYKWXYWDLZML-UHFFFAOYSA-N 467.953 4.096 5 1 JIBF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=S)Nc3ccccc3[N+](=O)[O-])CC1)C2 103277304 DXVSKSQOPJSHDK-QGZVFWFLSA-N 469.563 4.466 5 1 JIBF CC(=O)c1ccc2c(c1)[C@@](C)(c1cccc([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962629380 NLAVTVYABYJIRW-GBXCKJPGSA-N 454.479 4.307 5 1 JIBF CN(C)c1ccc(C(=O)OC[C@@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 34801520 UEUMFTIEBCMRIS-HXUWFJFHSA-N 451.401 4.225 5 1 JIBF COC(=O)c1cc2ccc(OCCc3nc(-c4cccc([N+](=O)[O-])c4)oc3C)cc2oc1=O 40915572 YLDFFMCYPPMSHA-UHFFFAOYSA-N 450.403 4.073 5 1 JIBF CCOC(=O)C1=C(C)N[C@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64538990 IJTLZEBTGQCKGE-VWNXMTODSA-N 479.562 4.165 5 1 JIBF O=C(Nc1cccc(-c2ccc(OC(F)(F)F)cc2)c1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82156776 KNQCZFGMNNYGOP-INIZCTEOSA-N 464.356 4.367 5 1 JIBF CCOc1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)cc1OCC 587670414 XNIHZDCIRAFLBE-UHFFFAOYSA-N 491.504 4.005 5 1 JIBF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4206821 OPXXQHGSWMJRSJ-TZIWHRDSSA-N 461.902 4.274 5 1 JIBF CC(C)CN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82134671 PFZGHNVUOAORQH-UHFFFAOYSA-N 463.494 4.121 5 1 JIBF CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174829 JANZNQMWWSSVQO-UHFFFAOYSA-N 458.478 4.230 5 1 JIBF O=C(NC1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 587239047 HJTRSHZDPFIFCJ-UHFFFAOYSA-N 485.500 4.411 5 1 JIBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263806 OODYDVCTHKUICB-OAUYIBNBSA-N 474.439 4.495 5 1 JIBF CCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br 587265843 XPQBGPAESWBOPV-YPMLDQLKSA-N 494.302 4.465 5 1 JIBF CCOC(=O)C1CCN(c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])CC1 587389867 NNYOXEYCDJSSIS-RUZDIDTESA-N 467.522 4.146 5 1 JIBF CC(=O)N/C(=C/c1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655878 CRLUZMMQEQYLDK-SRZZPIQSSA-N 490.422 4.067 5 1 JIBF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587141930 ZWJPBBIDQNBKLQ-HNNXBMFYSA-N 485.881 4.238 5 1 JIBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1ccc([N+](=O)[O-])n1 587578811 RVQGVHUZHQJQJE-WIOPSUGQSA-N 473.441 4.257 5 1 JIBF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc([N+](=O)[O-])c(Cl)cc5[nH]4)nc3n2)cn1 587129476 ZTJWVRMGSWIWFM-UHFFFAOYSA-N 487.858 4.168 5 1 JIBF CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653791957 PYKAVGMHBXWHKV-WAIKUNEKSA-N 475.505 4.043 5 1 JIBF O=C(C[C@@H]1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(Cl)cc2)CC1 1772605300 RMWHPTXTXZMWCX-JOCHJYFZSA-N 491.935 4.084 5 1 JIBF O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@@H](O)COc1cccc2[nH]c3ccccc3c12 64447367 ALSFTRAUZHVOMP-QGZVFWFLSA-N 472.457 4.231 5 1 JIBF CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 73298372 RYLPEORHOKQTCJ-UHFFFAOYSA-N 490.568 4.207 5 1 JIBF CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1)C(=O)O 73138079 CRWSSUTUNYHTON-HSZRJFAPSA-N 484.530 4.228 5 1 JIBF O=C(Nc1ccc(F)cc1)c1ccc(SCCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc1 145007880 ZSGFQIYXFDDLIT-UHFFFAOYSA-N 480.477 4.160 5 1 JIBF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)ccc2s1 587032907 CWBJHKYCYZFMTQ-UHFFFAOYSA-N 468.491 4.326 5 1 JIBF C[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C 587191157 LGAJQZZOWPYBTG-CYBMUJFWSA-N 457.486 4.338 5 1 JIBF COc1ccc(-n2cccc2[C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c([N+](=O)[O-])c1 962698637 NKBWMJPRSCDQGT-OXQOHEQNSA-N 479.386 4.240 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4275104 XMGZDJUEDZUGKW-ZTCOLXNVSA-N 483.521 4.187 5 1 JIBF COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC 775688 FXRLRERMZACVFY-UHFFFAOYSA-N 483.477 4.223 5 1 JIBF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc([N+](=O)[O-])c(Cl)c4C)c1)[C@@H](C2)C3=O 587422251 XTHXSVNVBYONHO-KSFYIVLOSA-N 469.881 4.307 5 1 JIBF CC1(C)NC(=O)N([C@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1=O 13587506 CWFGTQRBOWQTSL-JOCHJYFZSA-N 474.517 4.367 5 1 JIBF O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN1C(=S)NNc1ccccc1[N+](=O)[O-] 27769478 RDLJFYDPHNQKHM-JOCHJYFZSA-N 475.574 4.166 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(I)c2[nH]1 587264033 QLCZNIUTIDCXIN-JTQLQIEISA-N 481.246 4.427 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(F)cnc(Br)c2[nH]1 587261613 CTMOJKUXPHLBCJ-MRVPVSSYSA-N 453.224 4.119 5 1 JIBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 82081920 KBNPDSXATLNRQQ-HXUWFJFHSA-N 456.568 4.479 5 1 JIBF Cc1cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc([N+](=O)[O-])cc2)no1 100706016 GGKNRCGWNSUOCN-UHFFFAOYSA-N 476.474 4.166 5 1 JIBF COc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1 586995324 KFAMCIQRONZLJD-UHFFFAOYSA-N 498.293 4.322 5 1 JIBF COC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587749166 XRFHCYFVKQDCPN-DGIBIBHMSA-N 452.280 4.472 5 1 JIBF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653798208 AMGFBSMVLAHKRN-IQMFZBJNSA-N 493.495 4.182 5 1 JIBF COc1ccc2c(=O)c3cc(OC)c4c(c3oc2c1)O[C@H](OC)[C@H](c1ccc(O)c(OC)c1)O4 2356504493 UGBLMIVVSHFUSS-OFVILXPXSA-N 466.442 4.163 5 1 JIBF O=[N+]([O-])c1cccc(-c2ccc(S(=O)(=O)N(CCCO)c3ccnn3-c3ccccc3)cc2)c1 13864531 OWBVFVPKTLCULA-UHFFFAOYSA-N 478.530 4.025 5 1 JIBF COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN[C@H]2CCC[C@@H](C)[C@@H]2C)cc(OC)c1 20155167 DFCIHROEZVINHK-VVBPWWLESA-N 484.553 4.217 5 1 JIBF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 104103985 VKQIJLYJNBYKHA-FPTDNZKUSA-N 484.505 4.490 5 1 JIBF O=C(NCCCN1CCCC1=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2482590 OJDSLOAPGZWJOD-UHFFFAOYSA-N 486.887 4.452 5 1 JIBF CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055161 JFBHBDCAALUNHX-TZIWHRDSSA-N 479.364 4.451 5 1 JIBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@](C)(COC(C)=O)OC(C)=O)O2 40892426 LJVXZCQEZBZIOJ-YWEHKCAJSA-N 489.524 4.042 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102580337 KYKZJOSAKACDDO-RFZJPIJTSA-N 470.957 4.124 5 1 JIBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc([N+](=O)[O-])c1 587136482 IWUIXJGNJUXIIT-UHFFFAOYSA-N 496.520 4.274 5 1 JIBF COc1cc2c(OCCCN3CCN(C)CC3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857746072 HRPPNCXMRQSRPF-UHFFFAOYSA-N 489.572 4.303 5 1 JIBF O=[N+]([O-])c1cn2c(n1)SC[C@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 1857761142 RWCHPOUVGRVCDM-MRXNPFEDSA-N 452.414 4.443 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN(CC)CC 4212629 YEZGFNWOWWBTKX-XZOQPEGZSA-N 478.590 4.084 5 1 JIBF CC[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@@H]12)c1ccc(Cl)cc1 17176066 CGYCEJGQMYDKDT-HXJYQXIQSA-N 486.952 4.125 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1 587579322 UPJBBXZALBPFRP-XUZZJYLKSA-N 459.414 4.236 5 1 JIBF CCN(CC)CCCNC(=O)c1cc2cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)ccc2[nH]1 1861199 GBAYUOUZQMUUQQ-UHFFFAOYSA-N 476.537 4.271 5 1 JIBF C[N@+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261094876 FDJOVQRCCRYZCJ-XDZDDBEASA-O 454.594 4.314 5 1 JIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)c(Br)cc2[nH]1 587269499 PCLXDRRMGKHNQT-UHFFFAOYSA-N 455.062 4.388 5 1 JIBF CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587748010 ROQGUJCRIMPMRU-ASSNKEHSSA-N 465.319 4.422 5 1 JIBF Cc1nccc([C@]2(C)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)n1 963023914 QBPDXAYIWBTEGK-ABYGYWHVSA-N 475.552 4.196 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 253977456 KYKZJOSAKACDDO-AFMUBRCDSA-N 470.957 4.124 5 3 JIBF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055639 GOBLFGOWZKGYDW-IEBWSBKVSA-N 452.294 4.146 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)ncc2[nH]1 586949155 RVWRSUJUECGAPC-UHFFFAOYSA-N 488.323 4.405 5 1 JIBF O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655973 FLNPMHUEWWNVRL-UHFFFAOYSA-N 487.422 4.183 5 1 JIBF O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=S)NCc1ccccc1[N+](=O)[O-] 13780784 UZKMDJRPPAXGMU-QHCPKHFHSA-N 474.586 4.340 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1O[C@@H](CCN1CCC(n2c(=O)nc3cccc[c-]32)CC1)C(C)C 169718684 BDLXCVFPACECOZ-QHCPKHFHSA-N 451.547 4.463 5 1 JIBF O=C(CCc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1)NOCc1ccccc1 299829528 VRRUCZGMOFIENP-UHFFFAOYSA-N 450.476 4.463 5 1 JIBF O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc([N+](=O)[O-])cnc5[nH]4)(C3)C1)C2 587089208 ZWLKWJLWJIULEB-GZSHBGDESA-N 475.336 4.268 5 1 JIBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 587279798 BAGBOQFIPVQIED-NRFANRHFSA-N 495.469 4.022 5 1 JIBF Cc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br 587263434 UFIMJESFSDPYNY-UHFFFAOYSA-N 458.316 4.025 5 1 JIBF O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 1857769294 FBKWJABMWZSAOW-UHFFFAOYSA-N 466.393 4.404 5 1 JIBF O=C(O)CCNc1nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccc([N+](=O)[O-])cc12 71316136 XNYUUDQJMOHEEQ-UHFFFAOYSA-N 465.253 4.375 5 1 JIBF Cc1c(I)cnn1[C@@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587182568 QKUWTBSMEXIDRP-NSHDSACASA-N 454.275 4.378 5 1 JIBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576387 OFVBMUPFFDCYDU-BWKNWUBXSA-N 462.458 4.087 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](c2csc([N+](=O)[O-])c2)c2[nH]c3ccccc3c2C[C@H]1[C@@H](O)CC(=O)O 963062494 DOTYJDQVBOCUOG-FIKGOQFSSA-N 487.534 4.224 5 1 JIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@@H](CCC(=O)O[C@@H]1C[C@@H]3CC[C@H](C1)[N+]3(C)C)c1ccccc1)C2 103232159 PIJNRNDEKWQSIX-URMRYWJGSA-N 484.681 4.176 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccccc3)c2c1 587621246 QWZVYDHPKUXENI-UHFFFAOYSA-N 480.502 4.446 5 1 JIBF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc([N+](=O)[O-])cn1 587753350 VFACSOOCZLQIRY-QKVFXAPYSA-N 475.318 4.373 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 587750353 HTUALTMVUXARQP-WHEQGISXSA-N 472.314 4.474 5 1 JIBF CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963191265 STPSXWYDXLWMGE-VWLOTQADSA-N 451.523 4.398 5 1 JIBF COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NCCC(C)C)c2cc1OC 82130179 DCODSUUZWVRWDF-UHFFFAOYSA-N 480.569 4.340 5 1 JIBF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc([N+](=O)[O-])cn1 587754623 ZJWLRTOVLXHGMQ-GTJPDFRWSA-N 475.318 4.373 5 1 JIBF CN[C@@H]1C[C@@H]2O[C@@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 169710036 YISMQBFJYDFMAL-IPXGQLBOSA-N 452.514 4.180 5 1 JIBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587048914 CTLOIWXNUOALBI-VOTSOKGWSA-N 472.845 4.423 5 1 JIBF Cc1c(I)cnn1[C@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 587182415 OCYXZAYAOVJUMT-LLVKDONJSA-N 454.275 4.378 5 1 JIBF COC(=O)c1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620776 FZUJLVMEMKSYCV-UHFFFAOYSA-N 499.476 4.478 5 1 JIBF O=C1C[C@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 13521554 PHQUSKHDKPDYRN-PTUXOGIPSA-N 482.334 4.452 5 1 JIBF CNC(=O)c1cccc(Sc2ccc(NC(=O)NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 40872634 QKKUFGRBXGWGNC-UHFFFAOYSA-N 450.476 4.068 5 1 JIBF CCCCNC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 82134549 SNGKRENXICGHAI-UHFFFAOYSA-N 493.564 4.278 5 1 JIBF COc1ccc(NS(=O)(=O)c2ccc3nc(CN(C)c4cc(C)c(F)cc4[N+](=O)[O-])[nH]c3c2)cc1 587137378 XITGXANNLWCYDT-UHFFFAOYSA-N 499.524 4.364 5 1 JIBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC 774973 LQWOYOIXYWPTEA-SJLPKXTDSA-N 485.468 4.106 5 1 JIBF O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)NC1C2CC3CC(C2)CC1C3 73165506 XBORLWUTFOPFBS-UHFFFAOYSA-N 497.624 4.338 5 1 JIBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587748012 ROQGUJCRIMPMRU-YEJXKQKISA-N 465.319 4.422 5 1 JIBF COC(=O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(OC)cc3c2=O)cc1 58569385 GFSBACWRDYBAJK-AWNIVKPZSA-N 457.442 4.260 5 1 JIBF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C 104108319 VUOJHSHIVWBYAP-UXABEGIHSA-N 451.435 4.204 5 1 JIBF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)o1 586923227 GSVQTJIBJBVTLJ-UHFFFAOYSA-N 470.514 4.246 5 1 JIBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 587264318 LIAOFXALDHRSPJ-NXSYQRQQSA-N 470.667 4.329 5 1 JIBF C[C@](O)(COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857549795 WBGWSOXKGLNHRY-INIZCTEOSA-N 452.307 4.401 5 1 JIBF CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653791951 PYKAVGMHBXWHKV-HJPURHCSSA-N 475.505 4.043 5 1 JIBF NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 15936236 FXRKYFTVXLDVBC-LJQANCHMSA-N 489.370 4.448 5 3 JIBF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055054 YUAUKBDSWYGACQ-UOXRKKOCSA-N 465.337 4.060 5 1 JIBF Cc1onc(-c2cccnc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 98207835 OVZFTYKFOMVVNQ-UHFFFAOYSA-N 462.293 4.222 5 1 JIBF in-vitro COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C 587862743 GZSPOHKGHORZIK-LLVKDONJSA-N 451.405 4.276 5 1 JIBF COc1ccc([C@@H]2c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 962627855 LTBUICJDXRFZND-LEWJYISDSA-N 470.478 4.142 5 1 JIBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCCOC)nc1-c1cccc([N+](=O)[O-])c1 82135230 JGHMTBSHHDZQAJ-UHFFFAOYSA-N 463.538 4.471 5 1 JIBF Cc1onc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078734 AKUYFHZYKBOWLO-UHFFFAOYSA-N 460.841 4.429 5 1 JIBF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 769040 WFTGDMODGBEGLL-MJGOQNOKSA-N 466.321 4.128 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 587754672 ZYNVFBVJKJHFSQ-ZDUSSCGKSA-N 462.319 4.162 5 1 JIBF CS(=O)(=O)c1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586926908 QNPYOHBQRUSTOM-UHFFFAOYSA-N 457.899 4.026 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(Br)c1O 587541353 TZXMGIALRHRXSK-JXFKEZNVSA-N 458.220 4.471 5 1 JIBF CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6c(n2c5c31)CCCC6)C(=O)N=C4 34778313 QHZYTTSLHQFFIQ-FYTWVXJKSA-N 468.557 4.409 5 1 JIBF in-vitro O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 82149436 JUHOSROFOQZRMZ-UHFFFAOYSA-N 461.478 4.019 5 1 JIBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 963226248 DOSUCHQSNLBKSZ-ILBGXUMGSA-N 455.470 4.410 5 1 JIBF CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 13646492 NBBWJEWPUKPHPZ-QFIPXVFZSA-N 466.925 4.294 5 1 JIBF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 40395318 QXKBQOUJFFHIPB-UHFFFAOYSA-N 451.446 4.097 5 1 JIBF COc1cc2c(cc1OC)S[C@H](C(=O)C[C@@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2 38151243 RUCMPVRFPBFNLE-YFSOERDDSA-N 456.628 4.098 5 1 JIBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCOc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 49112847 ITJUOAWJGNAQEG-QHCPKHFHSA-N 466.490 4.015 5 1 JIBF CC[C@@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 82149966 AYGQLYLIAOFXPI-QGZVFWFLSA-N 493.564 4.276 5 1 JIBF Cc1onc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080793 YLKYDPFEMIFQGV-UHFFFAOYSA-N 482.638 4.003 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 963155177 YAJIHHGFHLEFLM-QZTJIDSGSA-N 470.507 4.178 5 1 JIBF CO[C@]1(CO)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 3941916 NMMGUHANGUWNBN-VHEIIQRDSA-N 453.498 4.129 5 1 JIBF O=c1oc2ccc([N+](=O)[O-])cc2c(Nc2ccc3c(c2)S(=O)(=O)c2ccccc2O3)c1[N+](=O)[O-] 5597015 HJMSBOCNXLZVJY-UHFFFAOYSA-N 481.398 4.292 5 1 JIBF CO[C@H]1[C@@H](O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 83921059 PALHDCQITMKWPC-SFDUFSHASA-N 453.498 4.127 5 1 JIBF in-vitro COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5ccc(O)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 587264628 OMPJFAFQSOFHQC-KRWDZBQOSA-N 472.461 4.145 5 1 JIBF COC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587749168 XRFHCYFVKQDCPN-OVWNDWIMSA-N 452.280 4.472 5 1 JIBF O=c1nc(N2C[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]3C2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857599472 HEMZISWWZRKYBK-OKILXGFUSA-N 494.470 4.291 5 1 JIBF Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1 5546111 WLODZVNZJYFSJJ-UHFFFAOYSA-N 499.552 4.141 5 1 JIBF C[C@]12CC[C@@H]3c4ccc(OCCCn5cnc6c(N)ncnc65)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O 29403536 IFBFXFQNZQUSEI-ADBKVVHZSA-N 490.564 4.211 5 1 JIBF Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 201440985 IGRSUXUBGYVNJH-UHFFFAOYSA-N 459.568 4.102 5 3 JIBF CSc1nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 29323767 CQEOSOIXQNVSRX-UHFFFAOYSA-N 452.536 4.371 5 1 JIBF O=Cc1ccc(-c2cc(Cl)cn3c([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)nc23)cc1 1857769296 FOQWQRFXSLQZQK-UHFFFAOYSA-N 455.879 4.349 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 13878839 RBCNBNOBVZRYHJ-NRFANRHFSA-N 466.925 4.136 5 3 JIBF CCN1C(=O)c2c(nc(Cc3ccccc3)n2Cc2ccc([N+](=O)[O-])cc2)N2C1=N[C@@H]1CCC[C@@H]12 28757797 CQYOIWIEMUGKOW-RTWAWAEBSA-N 470.533 4.003 5 1 JIBF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c[nH]c4ccc([N+](=O)[O-])cc14)[C@@H]23 1857745742 FGWMWEGZQCLVSE-JNONAHNFSA-N 454.571 4.094 5 1 JIBF COc1ccc2c(c1)CCN(C(=O)[C@@H]1CC(=O)c3ccc(Cl)cc31)[C@H]2C[N+]1(C)CCCC1 209467055 ORPZFCAVJWIWEA-RPWUZVMVSA-N 453.990 4.385 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC=O)c2c1 587621112 ORMUCRNJOGPJNP-UHFFFAOYSA-N 466.475 4.121 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](c2ccccc2[N+](=O)[O-])c2[nH]c3ccccc3c2C[C@H]1[C@@H](O)CC(=O)O 963061829 CARZFSPAWLHCHF-JTAQYXEDSA-N 481.505 4.163 5 1 JIBF COc1cc2c(cc1OC)[C@](C)(c1ccc(F)cc1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2 963138379 GNEOKGSHESJLNA-VWLOTQADSA-N 465.481 4.295 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586950120 AFDJFJOMRXNEEH-UHFFFAOYSA-N 494.371 4.166 5 1 JIBF CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587108853 AYLFFKWCHUSVGL-UHFFFAOYSA-N 456.446 4.159 5 1 JIBF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21 587576943 QFLYDFAHGVQVQQ-YIXXDRMTSA-N 481.416 4.456 5 1 JIBF COc1cc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc(=O)c2c(O)c1OC 1857567353 BHQFOAXRSCNABO-UHFFFAOYSA-N 462.414 4.343 5 1 JIBF CCOC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(C)=C(C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 96917952 FDHIRDHXMQWQIF-HSZRJFAPSA-N 480.473 4.211 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc([N+](=O)[O-])c1O 587540515 PCILSVWXQRLAQZ-UZLBHIALSA-N 458.220 4.471 5 1 JIBF CC1=C[C@H](CN2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356870887 HILQRGVCHRZHLZ-XJUOHMSHSA-N 453.587 4.289 5 1 JIBF CN(C)c1ccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 28870726 AKFLKYUKINMCLB-UHFFFAOYSA-N 474.926 4.367 5 1 JIBF COc1cccc(OC)c1CNc1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149366 ZDRYRSMKMHOOAR-UHFFFAOYSA-N 477.521 4.307 5 1 JIBF O=C([C@@H]1CCCCN1Cc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 84669923 AWDXTIULFGSRCC-SANMLTNESA-N 458.562 4.451 5 1 JIBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 587268236 YFDNJCNLMWDWCP-UHFFFAOYSA-N 482.566 4.030 5 1 JIBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 775113 ZCVSOIKAHIVELQ-SUMWQHHRSA-N 487.484 4.210 5 1 JIBF COc1cc2c(=O)n(CCNCc3ccccc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 28521268 UTRFBQNETZJSHD-UHFFFAOYSA-N 483.524 4.239 5 1 JIBF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586985381 VKFUHERBXZZDSC-AWEZNQCLSA-N 482.132 4.416 5 1 JIBF Cc1c(O)ccc2c1[C@@](c1cccc([N+](=O)[O-])c1)(c1cnc3ccccc3c1)N[C@H](C(=O)O)C2 963493762 WUOPJZNLAQAARW-BKMJKUGQSA-N 455.470 4.048 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1 13878837 KHMNCBCKCFATAN-QFIPXVFZSA-N 498.942 4.317 5 3 JIBF COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207585 HCMRLOAIQBUHKI-HKUYNNGSSA-N 452.294 4.146 5 1 JIBF Cc1ccc([C@]2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccccc2Cl)cc1 17198260 QZRSETPEVKTSNM-JOCHJYFZSA-N 455.854 4.010 5 1 JIBF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc([N+](=O)[O-])c4[nH]3)ccc2s1 587032870 CBYYFNDXTZTIHY-UHFFFAOYSA-N 454.464 4.018 5 1 JIBF O=c1c2ccc3sc4ccc(Br)cc4c4ccc(c(=O)n1CCOCCO)c2c34 653882900 XHDPITUWLBHWFW-UHFFFAOYSA-N 470.344 4.092 5 1 JIBF CN(CCNc1ccc([N+](=O)[O-])cn1)c1ncc(-n2ccnc2)c(-c2ccc(Cl)cc2Cl)n1 1772633224 KTZXWUWHKKRWRY-UHFFFAOYSA-N 485.335 4.488 5 1 JIBF C[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13559486 JOVHEROQFVFRKR-INIZCTEOSA-N 463.206 4.145 5 1 JIBF O=C(c1ccccc1Cl)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 72181737 CBXUWGSELJZMFC-AWEZNQCLSA-N 496.829 4.447 5 1 JIBF COc1cc(Br)c([C@@H](N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC 586973959 AIZKKMIQYFBIEH-OAQYLSRUSA-N 464.323 4.487 5 1 JIBF CCCCOc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587271072 ZGZMIMPOBTUCOH-INIZCTEOSA-N 490.358 4.311 5 1 JIBF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]21 1857614005 AXLDLBLLMYCFFE-NOXFTYBFSA-N 485.433 4.212 5 1 JIBF O=C(N[C@@H](COCc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085990 RFPQMVKWLVWYAB-NRFANRHFSA-N 494.573 4.046 5 1 JIBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82149288 LOXMSYGYDNKWOD-IRXDYDNUSA-N 489.532 4.193 5 1 JIBF Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)Nc5ccccc5)cc4c(=O)c3c2)cn1 95582792 KCVUBAFCQUOASV-UHFFFAOYSA-N 456.527 4.091 5 1 JIBF COC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745276 HEISOFHCHYDIRC-APBUJDDRSA-N 452.280 4.472 5 1 JIBF CCOC(=O)C1=C(C)N=C(CCn2ccnc2)/C(=C(/O)OCC)[C@@H]1c1ccccc1[N+](=O)[O-] 27719185 MPRLGTHUYCMEDQ-VLMSHNLISA-N 454.483 4.063 5 1 JIBF COc1ccccc1CCNC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135941 VENGNBJOAMYNEU-UHFFFAOYSA-N 461.522 4.387 5 1 JIBF COc1cc2c(cc1OCCCN)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125330 ROKNHZABKLUPNF-UHFFFAOYSA-N 464.478 4.316 5 1 JIBF Cc1cc(CC(N)=O)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)c1 29408374 NKWLLRUWWYBFPT-KRWDZBQOSA-N 498.967 4.416 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 82135206 POMMJDTWLKLGMO-UHFFFAOYSA-N 497.552 4.081 5 1 JIBF CC(=O)Nc1ccc(S(=O)(=O)CC(C)(C)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 27211576 YYTUDEGGQUSLBY-UHFFFAOYSA-N 487.456 4.011 5 1 JIBF O=C1OCc2c1cccc2-c1ccc(CCN2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 95559204 PLCSPMWUVPYGEZ-UHFFFAOYSA-N 471.557 4.335 5 1 JIBF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586945889 NWNKZFGSLQKOLL-UHFFFAOYSA-N 461.528 4.459 5 1 JIBF Cc1cc(Br)c2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2c1 587078917 CYSSROCCNNJVKY-UHFFFAOYSA-N 451.668 4.404 5 1 JIBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 587264317 LIAOFXALDHRSPJ-JKYUHCHBSA-N 470.667 4.329 5 1 JIBF CCOc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 96285582 VURDNTUYRFUWGF-UHFFFAOYSA-N 461.522 4.415 5 1 JIBF CCOc1ccc(-c2nn(C(=O)Cc3ccc(O)c([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC 587668659 FLDVJEYWTWCHSW-UHFFFAOYSA-N 489.484 4.358 5 1 JIBF O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 13443324 OIFVWTGMYAJXTJ-UHFFFAOYSA-N 455.536 4.017 5 1 JIBF CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 169327961 QVWNIVGEFNMABY-SGIRGMQISA-N 459.458 4.115 5 1 JIBF Cc1c(Br)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1C 587264072 KIZIOJIDCIYACH-BTDLBPIBSA-N 464.276 4.293 5 1 JIBF COc1cc(O)c(C(=O)c2ccccc2)c(O)c1-c1cc(O)c2oc3c(O)cccc3c(=O)c2c1O 15251989 RIPCRCQAUIWJEL-UHFFFAOYSA-N 486.432 4.381 5 1 JIBF endogenous,in-man CCCCNc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12 82129014 LPCLGWISUBFPQP-UHFFFAOYSA-N 466.542 4.094 5 1 JIBF CO[C@H]1C[C@@]2(C)O[C@@H]([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 2356690746 IPUGEHXWDXTWIF-FNJQCAKCSA-N 453.498 4.127 5 1 JIBF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 586930664 ONRVIKAGHFPWEL-UHFFFAOYSA-N 457.556 4.159 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)cc3)c(CN(C)C)c2c1 587621044 MGZMQHFZZSHZNN-UHFFFAOYSA-N 496.545 4.320 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccc(F)cc3)c(O)c2c1 587621782 ZQWVCAPXYYOPMP-UHFFFAOYSA-N 471.466 4.321 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(C)=O 587862761 HTHQPKZGDIPMLH-WQRHYEAKSA-N 474.395 4.303 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214120 VSYHBIIJQAWIGQ-DRVJTKKISA-N 477.558 4.046 5 1 JIBF CCC(=O)O[C@@H]1[C@H](O)c2c(cc(OC)c3c(=O)c4c5ccccc5ccc4n(C)c23)OC1(C)C 35850231 YAJPBCLTDMYVIX-CLJLJLNGSA-N 461.514 4.380 5 1 JIBF CO[C@@H]1[C@H](N(C)C)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 85894076 LVLYMBVESGUOQC-QNGCTEGKSA-N 496.567 4.402 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586948534 JUUDSEXWPCDYMO-UHFFFAOYSA-N 477.502 4.132 5 1 JIBF COc1ccc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587655968 FHRJWAUAVSXHPD-UHFFFAOYSA-N 451.385 4.141 5 1 JIBF CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587746725 KSEDFGNIUHLDCW-ODXCJYRJSA-N 451.292 4.227 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@@H](c3ccccc3O)C2)cc1 31905897 RMAHUHMWPKNUTI-OAQYLSRUSA-N 453.476 4.275 5 1 JIBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587263838 GHTPQFKJSVJQHJ-NZFNHWASSA-N 475.767 4.465 5 1 JIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748844 WTTGHAZGLZVNLS-WLJAHRKQSA-N 453.308 4.378 5 1 JIBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 587872294 JQNUTOSFOYJABY-UHFFFAOYSA-N 462.503 4.016 5 1 JIBF COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 653710203 MWZWEAVGFBQQRG-GGAORHGYSA-N 450.447 4.156 5 1 JIBF O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2ccc(F)cc2)=NN1c1ccccc1 13813439 DDTHVNSLIVKWSB-FYYLOGMGSA-N 474.448 4.089 5 3 JIBF aggregator CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 207704315 QVWNIVGEFNMABY-FBLLAGFSSA-N 459.458 4.115 5 1 JIBF COc1ccc(NS(=O)(=O)c2ccc3nc(CCOc4cc(C)ccc4[N+](=O)[O-])[nH]c3c2)cc1 587262530 BNRAIGFOEAKQRT-UHFFFAOYSA-N 482.518 4.210 5 1 JIBF CCc1ccccc1NC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)NCCc2nc3ccccn3c21 962991182 UIKYUXLIKWEYDJ-SANMLTNESA-N 455.518 4.223 5 1 JIBF Cc1cc(Cn2cnc3c2C[C@@H](CO)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1[N+](=O)[O-] 13446964 QLBDWGIESLMQEQ-DEOSSOPVSA-N 496.567 4.226 5 1 JIBF C[C@]12CC[C@H]([N+]3(C)CCCC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O 95558635 IVEMVUVECHEGQU-INNIVPSYSA-N 460.747 4.454 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(C(=O)C(F)F)c2c1 587620656 WSPMMZWUJSJDHY-UHFFFAOYSA-N 465.434 4.211 5 1 JIBF COc1ccc(-n2cccc2[C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c([N+](=O)[O-])c1 962698636 NKBWMJPRSCDQGT-OXJNMPFZSA-N 479.386 4.240 5 1 JIBF CSCC[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1857564957 JYTCFJUREDJTGF-HNNXBMFYSA-N 458.323 4.097 5 1 JIBF CCCCC(=O)N(Cc1ccc2c(-c3nnn[nH]3)cc3ccccc3c(=O)c2c1)[C@H](C(=O)O)C(C)C 13742164 YYMAPZOOTHITQF-DEOSSOPVSA-N 487.560 4.161 5 1 JIBF COc1ccc(-c2c(Cl)sc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 45299399 KWBZSMZLIUBVQS-UHFFFAOYSA-N 452.872 4.162 5 1 JIBF C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655764 AJAIRBQSRXCSAN-CYBMUJFWSA-N 451.385 4.358 5 1 JIBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 773388 SUJWHTPQOPBJKB-WMZOPIPTSA-N 485.468 4.106 5 1 JIBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 587389630 MFLJLEKENOJFET-QHCPKHFHSA-N 462.458 4.462 5 1 JIBF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587511518 QLQSZQUONPJSRN-XCLFUZPHSA-N 455.463 4.431 5 1 JIBF Cc1cc(-c2nnc(CNC(=O)c3ccccc3Cl)o2)c2nc(O)c3ccccc3c(=O)c2c1 1857640147 KKNAVBLXXULLAI-UHFFFAOYSA-N 472.888 4.396 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1N 4080455 BZFQGRRVQZDGOT-GOTSBHOMSA-N 468.510 4.236 5 1 JIBF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 169352596 GCXOJSSBLOSPBR-OAQYLSRUSA-N 455.902 4.145 5 1 JIBF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1OC 587057290 PALVJAHQGCOQEN-UHFFFAOYSA-N 453.842 4.456 5 1 JIBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC 587872006 GSMYCAJLMVHQAU-UHFFFAOYSA-N 462.503 4.016 5 1 JIBF CC/N=c1/cc2oc3cc(NCCC(=O)N[C@H](C(=O)OC)C(C)C)c4ccccc4c3nc-2cc1C 29057756 LFCHELZYXSLVPZ-CTTMAIQESA-N 488.588 4.431 5 1 JIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])O2 587391875 ZQXYVTIZPURAFY-AREMUKBSSA-N 496.564 4.423 5 1 JIBF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1cc([N+](=O)[O-])cn1 587748921 BPGBFUZEOAOOSB-XUSGNXJCSA-N 491.317 4.362 5 1 JIBF CS(=O)(=O)c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl 586924582 CFYPDUKYFGZRCE-UHFFFAOYSA-N 466.100 4.006 5 1 JIBF COc1ccc(SC[C@H](O)COc2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)cc1 169321939 RLOCZAGEEYVGLQ-OAHLLOKOSA-N 452.484 4.185 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCO)c2c1 587620894 IZKSWKDJLYMJOD-UHFFFAOYSA-N 485.493 4.226 5 1 JIBF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)ss/c2=N/O)cc1[N+](=O)[O-] 1772632458 NOYTUCDJCUAMMP-FMQUCBEESA-N 450.494 4.376 5 1 JIBF CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857762385 MDGYRIXVHGENEC-HSZRJFAPSA-N 486.484 4.175 5 1 JIBF CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587743786 BMKGHICYMAASRK-ODXCJYRJSA-N 451.292 4.227 5 1 JIBF Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 13813674 VLTUBYZCDBZMFX-ISKFKSNPSA-N 470.485 4.259 5 3 JIBF aggregator N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587183644 FSSABEDEKRMTCB-NSHDSACASA-N 487.095 4.081 5 1 JIBF O=C(N[C@H]1CCc2ccccc21)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 13478407 GROYXXKYNKBMIG-CERRFVOPSA-N 482.540 4.004 5 1 JIBF C[N@+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261094880 FDJOVQRCCRYZCJ-XLXCLFHOSA-O 454.594 4.314 5 1 JIBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 963138808 IICCMJXHOUGUQF-KBPBESRZSA-N 489.428 4.286 5 1 JIBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC[C@@H]4COC(C)(C)O4)ccc3n(C)c12 26270920 VJKOLLMFMKGPPQ-LJQANCHMSA-N 490.604 4.010 5 1 JIBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 586962351 WORAQVKNUPOBQU-ROOHIHILSA-N 471.495 4.074 5 1 JIBF Cc1cc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1[N+](=O)[O-] 587655754 AEZMLRNQAKWRLL-UHFFFAOYSA-N 451.385 4.278 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3ccccc3O)C2)cc1 5579433 RMAHUHMWPKNUTI-NRFANRHFSA-N 453.476 4.275 5 1 JIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)[C@H](CCC(=O)O[C@@H]1C[C@@H]3CC[C@H](C1)[N+]3(C)C)c1ccccc1)C2 103232161 PIJNRNDEKWQSIX-LBLAFIJZSA-N 484.681 4.176 5 1 JIBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1 103244265 QXNSYOYSCSRGFE-KGVSQERTSA-N 492.482 4.487 5 1 JIBF CC(C)CCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br 587260634 XAEHTROYYBBWHI-IHRRRGAJSA-N 452.349 4.411 5 1 JIBF Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587657019 QDORMTRGNSVNIN-UHFFFAOYSA-N 451.385 4.278 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN(CC)CC 4212633 YEZGFNWOWWBTKX-GOTSBHOMSA-N 478.590 4.084 5 1 JIBF CC(C)CCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO[P@@](=O)(O)OCC[N+](C)(C)C 87530436 IKLLJLKSBDTNCU-DSKXTJLJSA-O 451.609 4.238 5 1 JIBF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 587752049 PSXCZPHBLFVDTF-MPBGBICISA-N 461.291 4.353 5 1 JIBF COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2NCCc3c2c(C(C)C)nn3C)cc1 962920571 NJPWFXFVIDXSCX-DEOSSOPVSA-N 464.522 4.052 5 1 JIBF O=[N+]([O-])c1cc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2cc1F 587107593 LQBPZKJZTVUCSN-CQSZACIVSA-N 458.393 4.155 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1 587621304 SUVZDBUOMZFBQH-UHFFFAOYSA-N 499.476 4.319 5 1 JIBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCc2ccccc2N)cc1 4077841 XTERHDQHGUCBQH-ISKFKSNPSA-N 493.951 4.305 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1N 4080452 BZFQGRRVQZDGOT-PKTZIBPZSA-N 468.510 4.236 5 1 JIBF CCC[N@@+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1COc2cccc(OC)c2C1 253851628 JKDNPVDWERGGAV-PBBNMVCDSA-N 457.635 4.345 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccnc(Br)c2[nH]1 587055907 RHUYZHGQMJQRQK-CYBMUJFWSA-N 452.696 4.409 5 1 JIBF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 963061831 CARZFSPAWLHCHF-SXWKCWPCSA-N 481.505 4.163 5 1 JIBF O=C(C[C@H]1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(Cl)cc2)CC1 1772605301 RMWHPTXTXZMWCX-QFIPXVFZSA-N 491.935 4.084 5 1 JIBF O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 103244244 UOPDLHWTMIEKLT-GIDUJCDVSA-N 456.502 4.209 5 1 JIBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Br)cc1 169321877 FUQAETOLINWHNR-OQLXKQOESA-N 464.319 4.370 5 1 JIBF COC(=O)c1ccccc1Oc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1[N+](=O)[O-] 962900633 RXTOCPHAGHBWSX-HTAPYJJXSA-N 466.421 4.001 5 1 JIBF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055055 YUAUKBDSWYGACQ-LIUKBUMOSA-N 465.337 4.060 5 1 JIBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 586979557 FZQRPFNWPFIIHM-UHFFFAOYSA-N 467.345 4.240 5 1 JIBF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C 587376061 CEBFXXRPUCGTGO-LJQANCHMSA-N 456.886 4.407 5 1 JIBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1/C=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 653737481 JKZLCWBOEKAIQB-VXLYETTFSA-N 490.468 4.353 5 1 JIBF CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 95566137 DSXCMHIMULWTCP-NRFANRHFSA-N 489.502 4.312 5 3 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 587863380 YVETUALEVGLOAM-UHFFFAOYSA-N 471.395 4.419 5 1 JIBF O=[N+]([O-])c1ccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)cc1 299825966 MKAACFCPRZDIAT-UHFFFAOYSA-N 455.446 4.307 5 1 JIBF CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C[C@H]1CCCO1 587196648 USQMIUXHJLGDDX-GFCCVEGCSA-N 455.309 4.150 5 1 JIBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 587390015 OVASSTCXGGXZEY-HXUWFJFHSA-N 452.467 4.050 5 1 JIBF O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576663 PGKKNYSTQPWIFN-ZJSXRUAMSA-N 465.414 4.247 5 1 JIBF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc([N+](=O)[O-])cn1 587753351 VFACSOOCZLQIRY-XUSGNXJCSA-N 475.318 4.373 5 1 JIBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN(CC)CC 4152513 SIAAZNYWAIWKCI-GMAHTHKFSA-N 488.972 4.197 5 1 JIBF O=C(c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1)N1CCOCC1 82134486 PEBLYEOTUADVEO-UHFFFAOYSA-N 487.438 4.155 5 1 JIBF O=C(NCc1cccc2ccccc12)c1cccc(-c2ccc(S(=O)(=O)C[N+](=O)[O-])cc2)c1 100983639 WRJVGCDGUXMKBO-UHFFFAOYSA-N 460.511 4.445 5 1 JIBF O=C(N[C@@H](COCc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086062 VJCRYURZHPVABL-FQEVSTJZSA-N 494.573 4.046 5 1 JIBF CNc1c(-c2ccc(O)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620427 BXAATTINHVVCFC-UHFFFAOYSA-N 468.491 4.300 5 1 JIBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccsc2CCN1Cc1cccn1C 962378743 ZMIIHAVOHPPDCN-DEOSSOPVSA-N 452.580 4.334 5 1 JIBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cc([N+](=O)[O-])cc2c1OCOC2 963853192 FMMLQNPYSQXTBO-VGSWGCGISA-N 484.505 4.496 5 1 JIBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCOc2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 169723563 VFPQFQROYHNIGP-RBBKRZOGSA-N 486.908 4.492 5 1 JIBF Cc1cc(OC(F)(F)F)cc([C@@H]2c3c(c4cccnc4c4ncccc34)N[C@@]3(O)COC(=O)[C@H]23)c1 653687522 COIRDQSGBXBWMQ-YIGJPRQDSA-N 481.430 4.409 5 1 JIBF COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342329 NAWDTUCJPPXMFH-ZCYQVOJMSA-N 465.433 4.343 5 1 JIBF CCOc1cc(NC(=O)CCCCCC(=O)NCCc2ccccc2)cc2c1OCC([N+](=O)[O-])=C2 1772618408 CEIUPUKPDQDZRX-UHFFFAOYSA-N 481.549 4.343 5 1 JIBF COC(=O)c1c(C(=O)OC)c2ccc(-c3ccc(Cl)cc3)nn2c1C(=O)c1ccc([N+](=O)[O-])cc1 1655001 BQKVEVWCLNMAMY-UHFFFAOYSA-N 493.859 4.367 5 1 JIBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCCN2CCCC2=O)cc1 4320532 TWPQEPDOTDYGMR-UHFFFAOYSA-N 498.923 4.321 5 1 JIBF Nc1scc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C(=O)c1ccc(Cl)cc1 73224868 JXLRWJMBKLELNA-UHFFFAOYSA-N 456.955 4.445 5 1 JIBF O=[N+]([O-])c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)nn1CC(F)(F)F 587091495 FLSYKSKWBKKBPZ-UHFFFAOYSA-N 469.015 4.422 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCC[C@H](C)C3)c2c1 587620463 CIAIRYKWQKNYBM-AWEZNQCLSA-N 458.540 4.430 5 1 JIBF O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 8829407 NHJYVWTXOPCACX-INIZCTEOSA-N 461.318 4.442 5 3 JIBF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109331 HSLJPTZOTCRRBN-UHFFFAOYSA-N 456.446 4.111 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(I)cc2[nH]1 587264802 TVYKWIBLNDLQCM-JTQLQIEISA-N 481.246 4.427 5 1 JIBF CC(C)CN(CCOC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C(=O)C(F)(F)F)cc1 28880333 JODMXIJDFMCVGN-UHFFFAOYSA-N 466.412 4.295 5 1 JIBF O=[N+]([O-])c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Cl 587169643 FRGCKEQVPDDLAB-LJQANCHMSA-N 460.874 4.332 5 1 JIBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336818 AUYVAQYEOYFZMY-LADGPHEKSA-N 451.406 4.257 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743941 CAQHRRMUMVAPTK-PRWKNARSSA-N 466.307 4.283 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 587862716 GIBSEQIFKCXKJT-UHFFFAOYSA-N 476.411 4.011 5 1 JIBF O=c1oc2ccccc2cc1C1=NN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 653724605 MASJAVNFENNVOC-JOCHJYFZSA-N 475.482 4.241 5 1 JIBF CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587745725 KHHLBQSONMNKFK-BFKGZMGPSA-N 497.317 4.371 5 1 JIBF O=[N+]([O-])c1ccccc1-n1cc(-c2cccc(Nc3ncnc4cc5c(cc34)OCO5)c2)nn1 1857549514 TWFZMXHJJFTMRA-UHFFFAOYSA-N 453.418 4.258 5 1 JIBF COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](O)[C@@H](OC(=O)N(C)C)C(C)(C)O2 35985339 PLCCAZUWYVXKTM-JWQCQUIFSA-N 476.529 4.125 5 1 JIBF O=C(Oc1cncc(Cl)c1)c1ccc2c(ccn2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 40974525 LXKXHISGOOZAGB-UHFFFAOYSA-N 457.851 4.054 5 1 JIBF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 114099044 NKNOUBCRPXYVBR-JOCHJYFZSA-N 467.566 4.263 5 1 JIBF Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2n1 587280135 KQEPFOHFYXSOIF-UHFFFAOYSA-N 470.367 4.342 5 1 JIBF COc1ccc(C(=O)N2CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)[C@@H](CCc3ccccc3)C2)cc1 1857546747 BPMDUZGQTMNCHY-DEOSSOPVSA-N 473.529 4.089 5 1 JIBF Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(O)c([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccccc2)c1=O 16183429 KAWKOCYHRZERMG-UHFFFAOYSA-N 497.511 4.055 5 3 JIBF COc1cc2c(=O)n(CCCn3ccnc3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857629932 WXKYYCDHYYYUGE-UHFFFAOYSA-N 457.486 4.341 5 1 JIBF CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206557 FRGVICNEWRUCPU-PZJWPPBQSA-N 479.364 4.451 5 1 JIBF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(C(=S)Nc3ccccc3[N+](=O)[O-])CC1)C2 103277306 DXVSKSQOPJSHDK-KRWDZBQOSA-N 469.563 4.466 5 1 JIBF CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586948570 KIGUJUVDPVRAER-UHFFFAOYSA-N 498.517 4.355 5 1 JIBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 963155179 YAJIHHGFHLEFLM-ROUUACIJSA-N 470.507 4.178 5 1 JIBF CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc2c(-c3nnn[nH]3)cc3ccccc3c(=O)c2c1 13742162 UBAQZYYLQLWDFS-UHFFFAOYSA-N 492.495 4.028 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587263649 NCQLHBPMWGNEGQ-SNVBAGLBSA-N 492.282 4.371 5 1 JIBF Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336774 AOQWMHZFXJMUMP-DHLKQENFSA-N 459.433 4.476 5 1 JIBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc([N+](=O)[O-])c(Cl)c4C)c1)[C@@H](C2)C3=O 587422245 XTHXSVNVBYONHO-AOMKIAJQSA-N 469.881 4.307 5 1 JIBF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 963633425 HYOBDGBVLAIYRJ-IVCQMTBJSA-N 482.558 4.210 5 1 JIBF O=C(CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3)NC[C@@H]1CCOC1 26722545 NEGCBIBMPAHBIM-INIZCTEOSA-N 466.541 4.215 5 1 JIBF CN(C)CCCNC(=O)c1ccc2[nH]c(=O)c3sc4cc(Br)ccc4c3c2c1 84689579 WBLUZOJYXVYSNT-UHFFFAOYSA-N 458.381 4.340 5 1 JIBF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@@H](O)C[N+](C)(C)C[C@@H]1CO1 299823454 DRSIARPQBQOMIB-UKTQKJLKSA-N 458.663 4.200 5 1 JIBF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H](C)O1 586969624 XZLJYFJCUIBLRY-CHWSQXEVSA-N 468.514 4.459 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4275108 JBHLWUKDAYFHQZ-GPUOULLFSA-N 499.564 4.476 5 1 JIBF CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723519 PQNGUBRSSYTJHP-RBBKRZOGSA-N 481.461 4.258 5 1 JIBF NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262917 ICUUMOHESYQTLK-UHFFFAOYSA-N 484.385 4.003 5 1 JIBF COC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587749165 XRFHCYFVKQDCPN-APBUJDDRSA-N 452.280 4.472 5 1 JIBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H](C)O)cc1 586938977 ZKGSEQFSRNJMNC-IVZQSRNASA-N 461.543 4.278 5 1 JIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 587390380 PWISUCICQOVAED-QFIPXVFZSA-N 482.537 4.249 5 1 JIBF CCOC(=O)C1CCN(c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])CC1 587430853 CCGVZHYPWLYEPL-BCHFMIIMSA-N 480.517 4.046 5 1 JIBF CCCCCc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163660 BCTUAMBEGJZVLG-GOSISDBHSA-N 478.553 4.450 5 1 JIBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)Nc1nccs1 100706004 JJCIAHYRSBNXQQ-UHFFFAOYSA-N 478.515 4.326 5 1 JIBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 586969416 KPKQTIKILQTFSP-KBPBESRZSA-N 450.524 4.320 5 1 JIBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCn1cc([N+](=O)[O-])cn1 587577618 TWHCGDHJNGQTGB-RDGATRHJSA-N 489.440 4.245 5 1 JIBF CCOC(=O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431419 DYQPJKKYAWFEFH-QFQXNSOFSA-N 459.454 4.471 5 1 JIBF O=c1oc2ccccc2cc1C1=NN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 653724606 MASJAVNFENNVOC-QFIPXVFZSA-N 475.482 4.241 5 1 JIBF COc1cc2c(OCCCN3CCOCC3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857635605 RRVHXOQKVOEOOF-UHFFFAOYSA-N 476.529 4.388 5 1 JIBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(F)c(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 49785356 UFHXNXAALIBDJD-NRFANRHFSA-N 458.417 4.024 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(-c3cccc(F)c3)c2c1 587620655 WSDGVKMMGOHOOP-UHFFFAOYSA-N 485.449 4.390 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 587753294 UWMKAIIAYZTHAO-FKIZINRSSA-N 461.291 4.353 5 1 JIBF O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)n1nc2cc1Oc1ccc(F)cc1-2 587874091 QBSGYEGUTVMFHZ-UHFFFAOYSA-N 455.789 4.278 5 1 JIBF COCC[N@+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 253686524 XEKBKFPFVCGCBX-CMVGPNDKSA-O 486.636 4.270 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1c(F)cc(-c3ccc(C(F)(F)F)nc3)cc1F)C2 473127321 BBNYKZWNTNLBQR-LBPRGKRZSA-N 456.327 4.128 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)c(O)c2[nH]1 587263260 KYPKGMPPORLSLE-SECBINFHSA-N 450.245 4.290 5 1 JIBF CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cccc(Br)c2[N+](=O)[O-])c1OCC 587937862 ZQKPZHOTYLCBLQ-UHFFFAOYSA-N 499.314 4.299 5 1 JIBF CC(=O)N/C(=C\c1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655876 CRLUZMMQEQYLDK-NHDPSOOVSA-N 490.422 4.067 5 1 JIBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCOc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 49112848 ITJUOAWJGNAQEG-HSZRJFAPSA-N 466.490 4.015 5 1 JIBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccc(F)c(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723531 WHUQHLYHGSJNGE-PZJWPPBQSA-N 458.417 4.238 5 1 JIBF C[C@](O)(COc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857579983 QEBKLWWXDQXYTE-INIZCTEOSA-N 468.306 4.281 5 1 JIBF O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1cc([N+](=O)[O-])c2cccnc2c1O 1857642073 PNZKTYYVJALYCN-UHFFFAOYSA-N 463.519 4.105 5 1 JIBF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)n1 1857646857 QZQYYIFCMYVDJU-UHFFFAOYSA-N 470.917 4.335 5 1 JIBF CCO/C(O)=C1\C(COCCc2ccncc2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 27711859 CKYYMTIQQDUUHD-SCXRQHMSSA-N 481.505 4.040 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 587747368 NDSOTAQQBBJWAZ-WHEQGISXSA-N 472.314 4.474 5 1 JIBF O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(-c3nnn(Cc4cccc(Cl)c4)n3)c2)c1 72180327 RLLIFWGVKSYAFS-ZHACJKMWSA-N 496.936 4.363 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)nc2[nH]1 587055245 NRGRYUMEBOBGQA-CQSZACIVSA-N 452.696 4.409 5 1 JIBF COCCNc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1[N+](=O)[O-] 587264155 BOKAXWJHPDDBEM-UHFFFAOYSA-N 497.533 4.006 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(C)=O)c2c1 587617797 KAEQYYNDBKKFLB-UHFFFAOYSA-N 457.386 4.107 5 1 JIBF CO[C@H]1C(=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 13369601 CQEYKSOPHNOEBZ-KAZGAHJFSA-N 451.482 4.335 5 1 JIBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 586969793 OGVIMAZEKIXDAK-KBPBESRZSA-N 450.524 4.320 5 1 JIBF O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccc(F)cc1 587341583 JWNHGRAWWFNXAC-QHCPKHFHSA-N 476.460 4.473 5 1 JIBF Cc1nn(C[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] 587656728 LLBNCPMNEKSOSQ-GFCCVEGCSA-N 467.432 4.040 5 1 JIBF COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 653689040 RUQLIIQFUNICMI-VWNXMTODSA-N 480.473 4.165 5 1 JIBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O 587447988 GWUXMVXJKDJSMV-YADARESESA-N 465.483 4.066 5 1 JIBF COc1cccc(CN2C(=O)C[C@@H](c3cc(OC)cc(OC)c3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)c1 653739124 ZDJTWOWWTRTEFO-OIKPOIBNSA-N 492.528 4.321 5 1 JIBF COC(=O)c1cc([C@@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 963863108 OIEOCLLRNNRWAQ-XMSQKQJNSA-N 484.505 4.416 5 1 JIBF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CC2)cc1 586955882 YGHJMAPAULBINE-UHFFFAOYSA-N 473.511 4.071 5 1 JIBF Cc1oc(-c2nc3cc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)ccc3[nH]2)cc1[N+](=O)[O-] 587269195 SPQKMEACUGTSQO-UHFFFAOYSA-N 474.521 4.039 5 1 JIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748441 USNKRLGIBZRFLZ-GAFLKWJRSA-N 453.308 4.378 5 1 JIBF COCCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147836 ICKHDKBEKXYNJW-UHFFFAOYSA-N 455.902 4.084 5 1 JIBF N[C@@H](CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270628 ONOWEZKHRRNVGK-LBPRGKRZSA-N 486.248 4.151 5 1 JIBF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21 587576941 QFLYDFAHGVQVQQ-KCWPFWIISA-N 481.416 4.456 5 1 JIBF CCC(=O)c1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618874 XVHYFCZZYJHRBK-UHFFFAOYSA-N 471.413 4.497 5 1 JIBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748884 BHKUWEXYWXXDMV-YEJXKQKISA-N 464.335 4.312 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN/C=C1\C=Nc2ccccc21 13119199 XLVZKFTXVYMLRS-CCEZHUSRSA-N 465.491 4.078 5 3 JIBF C[N@@+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261094884 FDJOVQRCCRYZCJ-YDCVZUCISA-O 454.594 4.314 5 1 JIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587265956 HZESDVGXRWDKIZ-ZETCQYMHSA-N 451.193 4.223 5 1 JIBF Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511060 CWGREIRBJINQFD-MHZLTWQESA-N 484.464 4.207 5 1 JIBF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1[N+](=O)[O-] 40401108 OAJWSEGDJMAOJJ-UHFFFAOYSA-N 451.446 4.097 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N(C)c3ccccc3)c2c1 587620568 DWNHXWHFNDKXHF-UHFFFAOYSA-N 494.529 4.471 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 586940878 IWJUENGIVPDTAE-UHFFFAOYSA-N 470.532 4.464 5 1 JIBF O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccc(F)cc1 587341578 JWNHGRAWWFNXAC-HSZRJFAPSA-N 476.460 4.473 5 1 JIBF CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587746448 JZJCDMVLJBJHFP-YUNKPMOVSA-N 451.292 4.227 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 587750511 IIVNPNUHLYVHRF-ODXCJYRJSA-N 461.291 4.353 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4275107 JBHLWUKDAYFHQZ-FTBPSBKWSA-N 499.564 4.476 5 1 JIBF COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H](N)Cc5ccccc5)c4)cc3c2cc1OC 44674961 XNXUJUXYVTYIGP-IBGZPJMESA-N 481.556 4.393 5 1 JIBF in-vitro Cc1cc(Br)cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 587263445 UNNLXULMSRQCPY-UHFFFAOYSA-N 458.316 4.025 5 1 JIBF CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc([N+](=O)[O-])ccc3N2)C(=O)N1Cc1ccc(F)cc1 101294431 ICHKREVVQNQOBJ-OAQYLSRUSA-N 487.509 4.044 5 1 JIBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(F)cc4[nH]2)cn3C2CC2)CC1 587172716 LNMYLJJWCXORDX-UHFFFAOYSA-N 494.502 4.208 5 1 JIBF COc1ccc(NS(=O)(=O)c2ccc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3c2)cc1 587270284 LGRVZHPIWVPGKF-UHFFFAOYSA-N 452.492 4.066 5 1 JIBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511072 MXPBWGREHOZNBG-WMVAVLGLSA-N 497.544 4.156 5 1 JIBF CN1C(=O)C[C@H]2CN[C@H](c3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)CC3)c3cccc1c32 963017508 CSWOIPKZLJXGBJ-VKGTZQKMSA-N 483.572 4.064 5 1 JIBF CO[C@@H]1C(=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 3827271 CQEYKSOPHNOEBZ-JRLVAEJTSA-N 451.482 4.335 5 1 JIBF CCOC(=O)N1C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 26476345 ADCRHBGKHKMHMJ-DEOSSOPVSA-N 494.548 4.476 5 1 JIBF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@H]2[C@@H]3C[N@@+]4([O-])C[C@H](C)CC[C@H]4[C@H](C)[C@H]3CC[C@]21O 255229164 LVVAQKKHNSZEDE-CLANPHEJSA-N 489.697 4.262 5 1 JIBF CCOC(=O)c1c(-c2ccncc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620890 JDUYHJHRDLGWTG-UHFFFAOYSA-N 496.501 4.124 5 1 JIBF C[C@](O)(COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857578020 WESHTGJBRWDLFA-INIZCTEOSA-N 452.307 4.401 5 1 JIBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 100705983 LABMAGNBIHQVAU-UHFFFAOYSA-N 463.519 4.244 5 1 JIBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586946880 UJRHPRHSGXPVFG-MRXNPFEDSA-N 473.558 4.092 5 1 JIBF O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 1493771 XQODGRWXBOXGGN-WRDKKKNXSA-N 454.637 4.440 5 1 JIBF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O 587473479 VYMBPVUNTFSLEI-BUXKBTBVSA-N 459.451 4.210 5 1 JIBF CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748776 WJELMJXFKSOAHR-FKIZINRSSA-N 451.292 4.227 5 1 JIBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@](C)(COC(C)=O)OC(C)=O)O2 40395757 LJVXZCQEZBZIOJ-UFHPHHKVSA-N 489.524 4.042 5 1 JIBF Cn1c(-c2ccc(OCCOCCOCCO)cc2)[n+](C)c2c3ccccc3c3ccccc3c21 95558351 MKLYVYAONJXMIE-UHFFFAOYSA-N 471.577 4.381 5 1 JIBF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c1 13765363 LDRWRZMQGSNUOM-UHFFFAOYSA-N 475.553 4.017 5 1 JIBF COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c(OC)c1OC 299837795 KXFDFCDDPIGSRW-GOSISDBHSA-N 455.470 4.177 5 1 JIBF CC(=O)c1ccc2c(c1)[C@](C)(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962619911 HPUGZRABCWJALO-RDPSFJRHSA-N 499.476 4.216 5 1 JIBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cc([N+](=O)[O-])cc2c1OCOC2 963853191 FMMLQNPYSQXTBO-VGOFRKELSA-N 484.505 4.496 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(N)c2c1 587621772 ZOPKNPMRAWZCKT-UHFFFAOYSA-N 456.455 4.274 5 1 JIBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774084 OHRFBPXWSVTWRZ-RDTXWAMCSA-N 499.520 4.079 5 1 JIBF Cc1ccc(C)c(COc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N(C)S(C)(=O)=O)c1 73222367 RYFGWPFLXOZSGS-UHFFFAOYSA-N 483.546 4.439 5 1 JIBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 586969797 OGVIMAZEKIXDAK-OKILXGFUSA-N 450.524 4.320 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 587750508 IIVNPNUHLYVHRF-FKIZINRSSA-N 461.291 4.353 5 1 JIBF CSCC[C@@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NC[C@H]1CCCO1 82195890 GSYJZKHIOPEIOO-UKRRQHHQSA-N 471.004 4.201 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 587667515 NCAFUVAPJJAIAR-UHFFFAOYSA-N 472.501 4.406 5 1 JIBF CCOc1ccc(-c2nn(C(=O)c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587668654 FEOSXBCYPMZHGH-UHFFFAOYSA-N 459.458 4.458 5 1 JIBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1cccc(Br)c1 1772580647 UWFFDBPYTBAMIP-SFHVURJKSA-N 491.345 4.385 5 1 JIBF CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 207704271 QVWNIVGEFNMABY-HWBMXIPRSA-N 459.458 4.115 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c(O)c2[nH]1 587263261 KYPKGMPPORLSLE-VIFPVBQESA-N 450.245 4.290 5 1 JIBF CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 587661216 LSUSSLHVYHHCIM-UHFFFAOYSA-N 496.520 4.131 5 1 JIBF Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163653 CMMJLVJWYFEPLB-IBGZPJMESA-N 484.516 4.384 5 1 JIBF CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336824 AUYVAQYEOYFZMY-VWNXMTODSA-N 451.406 4.257 5 1 JIBF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4055270 SEPHBPOTFTVDHM-FPOVZHCZSA-N 461.902 4.274 5 1 JIBF CCNC(=O)c1cc(-c2ccc3ccc4ccccc4c3c2)n(-c2ccc(NC(=O)CN)cc2)n1 72119899 ZNSZTBSRNWSFKI-UHFFFAOYSA-N 463.541 4.493 5 1 JIBF O=C(NCCn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(Cl)cc1 103166627 KMOPOCHKTBMSHO-UHFFFAOYSA-N 463.881 4.447 5 1 JIBF O=C1CCc2cc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3cc2N1 587117592 FTJNWEHHUKKJGX-UHFFFAOYSA-N 456.384 4.286 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 587753298 UWMKAIIAYZTHAO-ODXCJYRJSA-N 461.291 4.353 5 1 JIBF CCOc1cc([C@H]2NCCc3cc4cccc(OC)c4nc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963040260 VRWMIIKNTYGWQC-HSZRJFAPSA-N 475.505 4.311 5 1 JIBF CCOC(=O)C1=C(C)N[C@@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64538993 IJTLZEBTGQCKGE-LADGPHEKSA-N 479.562 4.165 5 1 JIBF O=C(NCc1ccc2c(c1)OCO2)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135258 AKVHYPOFJSKNAK-UHFFFAOYSA-N 461.478 4.065 5 1 JIBF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1 587014455 QKNGDUYUFCXQGE-UHFFFAOYSA-N 454.306 4.382 5 1 JIBF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O 587473478 VYMBPVUNTFSLEI-BLVKFPJESA-N 459.451 4.210 5 1 JIBF Cc1nn(Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(C)c1[N+](=O)[O-] 587577683 UERRUIFTWIUTDN-RDPSFJRHSA-N 461.430 4.458 5 1 JIBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1cc([N+](=O)[O-])cn1 587748919 BPGBFUZEOAOOSB-LAJNKCICSA-N 491.317 4.362 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)OCc2ccc([N+](=O)[O-])cc2)N1 587749574 DQQPASMGHXOBCL-YUNKPMOVSA-N 451.292 4.379 5 1 JIBF C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 34802168 FDJOVQRCCRYZCJ-QFJMYPLRSA-O 454.594 4.314 5 1 JIBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(F)c(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 49785357 UFHXNXAALIBDJD-OAQYLSRUSA-N 458.417 4.024 5 1 JIBF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])[C@@H](C2)C3=O 587416772 FCSHIBRZVFERNC-HUTHGQBESA-N 459.669 4.147 5 1 JIBF CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587743782 BMKGHICYMAASRK-MPBGBICISA-N 451.292 4.227 5 1 JIBF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c([N+](=O)[O-])cccc5[nH]4)[nH]c23)cc1 586952354 BXPCAYNAWCPFGW-UHFFFAOYSA-N 463.475 4.429 5 1 JIBF CC(=O)N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 586986662 ZEOSNOGQVKRQAM-CQSZACIVSA-N 482.132 4.416 5 1 JIBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962929811 UOVMIHVJILSYGV-NVQXNPDNSA-N 476.485 4.280 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(Br)c1O 587541355 TZXMGIALRHRXSK-OXQOHEQNSA-N 458.220 4.471 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 587747093 LYRAYNPFZNFZFS-DMZKTXOQSA-N 478.362 4.329 5 1 JIBF CCCN(CCCCNc1ccc([N+](=O)[O-])c2nonc12)[C@H]1COc2cccc(OC)c2C1 29560424 HLUXBGATERNGEH-MRXNPFEDSA-N 455.515 4.047 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc1)C2 45319176 DYXLDHDTFUSQMO-HNNXBMFYSA-N 453.348 4.474 5 1 JIBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587263836 GHTPQFKJSVJQHJ-KWKYVRJSSA-N 475.767 4.465 5 1 JIBF CC(C)COc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587270528 LVNFQDLKYFOUOE-INIZCTEOSA-N 490.358 4.167 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 587752612 SFUSBBUCYDGKEN-YUNKPMOVSA-N 461.291 4.353 5 1 JIBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN(CC)CC 4152514 SIAAZNYWAIWKCI-GGAORHGYSA-N 488.972 4.197 5 1 JIBF CC[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc([N+](=O)[O-])cc1C 587657430 WRLKIYDXATXSIU-GOSISDBHSA-N 453.405 4.046 5 1 JIBF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 962634530 KFDMOMQYQWMIOZ-XMSQKQJNSA-N 456.376 4.365 5 1 JIBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCC(C)(C)CO)cc1 774277 RCPCTJHJEKDXJC-UHFFFAOYSA-N 459.886 4.327 5 1 JIBF O=C1NC(=O)c2c1c1c3ccc(CN4CCCNCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 23357941 DTUDWBDEBJDRRM-UHFFFAOYSA-N 477.568 4.054 5 1 JIBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc(OC(F)(F)F)cc1[N+](=O)[O-] 963138817 IICCMJXHOUGUQF-UONOGXRCSA-N 489.428 4.286 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587667146 HSYSSOJGFZTLCF-UHFFFAOYSA-N 488.500 4.243 5 1 JIBF CCC[N@@+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2cccc(OC)c2C1 253851623 JKDNPVDWERGGAV-LGGPFLRQSA-N 457.635 4.345 5 1 JIBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(I)cc3[nH]2)CC1 587268960 FNKDUADBHCSCBM-UHFFFAOYSA-N 476.274 4.096 5 1 JIBF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])CCc1ccccc1)OCc1ccccc1 1772619219 KUNJDMYXAJIQIO-LSUKLKIZSA-N 487.556 4.432 5 1 JIBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579079 YFFJUPJWDJKSNA-WIOPSUGQSA-N 463.442 4.197 5 1 JIBF CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587745722 KHHLBQSONMNKFK-ADWYPQAOSA-N 497.317 4.371 5 1 JIBF CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)OCc1ccc([N+](=O)[O-])cc1)CO2 27428520 MFPBDPZRPFNUPK-XPUPLBFISA-N 461.511 4.324 5 1 JIBF CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCn1c2ccccc2c2ccccc21 40866319 GRDUAFHKDVPDQM-UHFFFAOYSA-N 485.588 4.373 5 1 JIBF CC[C@H](C)NC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1cccc([N+](=O)[O-])c1 82135734 SVCQEUMNNMLODS-HNNXBMFYSA-N 465.510 4.209 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCn2cc([N+](=O)[O-])cn2)c1 587574668 GFFCULJBBZONOK-ZJSXRUAMSA-N 459.414 4.236 5 1 JIBF COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1 775846 BZWLURRAQQJFMP-UHFFFAOYSA-N 497.504 4.266 5 1 JIBF Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 40835459 DJZSRAZSYSMAMZ-UHFFFAOYSA-N 489.509 4.148 5 1 JIBF O=C(CCN1CCCC1)Nc1ccc2c(O)c3cc(NC(=O)CCN4CCCC4)ccc3c(O)c2c1 169716210 IWODTNXTJOPHRA-UHFFFAOYSA-N 490.604 4.253 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCc3ccccc3)c2c1 587620504 DEBAAFVXQHOSFR-UHFFFAOYSA-N 494.529 4.124 5 1 JIBF CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587746727 KSEDFGNIUHLDCW-YUNKPMOVSA-N 451.292 4.227 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN(C)c1ccc([N+](=O)[O-])c2nonc12 587865711 GEBPVHFGQKVVMF-UHFFFAOYSA-N 490.398 4.189 5 1 JIBF COc1cccc2c3c(cnc12)CCN[C@@]3(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccc([N+](=O)[O-])cc1 963059277 QJBNVDUVIMDIKC-ZDXGUKGBSA-N 461.518 4.432 5 1 JIBF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4152690 AYSPJJCXYHGLKB-GMAHTHKFSA-N 471.510 4.019 5 1 JIBF CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C[C@@H]1CCCO1 587196673 VEOPUFGFCDUMTK-NSHDSACASA-N 455.309 4.150 5 1 JIBF O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661434 OEEQJYPMCFTPHI-UHFFFAOYSA-N 485.431 4.032 5 1 JIBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748883 BHKUWEXYWXXDMV-LRTDBIEQSA-N 464.335 4.312 5 1 JIBF N=C(N)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c([N+](=O)[O-])c2)no1 1857552471 AQKWVUSPOUZRET-HNNXBMFYSA-N 476.415 4.273 5 1 JIBF COc1cc2c(c3c1c(=O)c1cc4cc(Br)ccc4cc1n3C)[C@@H](O)[C@@H](O)C(C)(C)O2 71418571 KPQSCJBPYMSLCY-DHIUTWEWSA-N 484.346 4.181 5 1 JIBF O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661503 PQLUBYMBAMLSCL-UHFFFAOYSA-N 469.432 4.044 5 1 JIBF O=C(Nc1ccc(C[C@H](Nc2ncccc2[N+](=O)[O-])C(=O)O)cc1)c1c(Cl)cncc1Cl 13442607 GLVYIGCNVOBILB-HNNXBMFYSA-N 476.276 4.052 5 1 JIBF CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])s1)S(=O)(=O)c1cccc2ccccc12 84708887 NDKBFNNGYBCXEC-UHFFFAOYSA-N 462.549 4.342 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)c1ccccc1 4275110 JBHLWUKDAYFHQZ-TUSQITKMSA-N 499.564 4.476 5 1 JIBF CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 26499356 JZLFYMHIISZQCZ-HMWZOHBLSA-N 482.540 4.060 5 1 JIBF O=[N+]([O-])c1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1F 586954851 QDOMTKJGOYCQAN-UHFFFAOYSA-N 454.483 4.332 5 1 JIBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NC2CCCC2)cc1 773926 SLMOZHXFQPWJNA-UHFFFAOYSA-N 451.435 4.327 5 1 JIBF CC(=O)N1CCN(c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82174504 IWXSIAZSQVCHGC-UHFFFAOYSA-N 484.516 4.351 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 587865041 PCSJTWOVFXYJHZ-UHFFFAOYSA-N 457.796 4.456 5 1 JIBF CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723518 PQNGUBRSSYTJHP-IFMALSPDSA-N 481.461 4.258 5 1 JIBF O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 1772622045 LIAUCQOAAWQYMN-UHFFFAOYSA-N 482.953 4.167 5 1 JIBF O[C@@H]1CO[C@H](n2c3ccc(Cl)cc3c3ccc4c5ccc(Cl)cc5[nH]c4c32)[C@H](O)[C@@H]1O 2356785839 XTRRPGKBCKWWND-HWHRFOGPSA-N 457.313 4.347 5 1 JIBF CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)N=C4 16052156 JTLFDPIJDGKVHW-FYTWVXJKSA-N 480.524 4.389 5 1 JIBF in-vitro COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc1)CC2 29062769 OPEFHOQGDRRMFK-UHFFFAOYSA-N 461.518 4.465 5 1 JIBF COc1nn(Cc2ccccc2Cn2nc(OC)c3cc([N+](=O)[O-])ccc32)c2ccc([N+](=O)[O-])cc12 84614554 ZQCCXWFEDHHVED-UHFFFAOYSA-N 488.460 4.316 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587053484 FNQKJUJXGCMLNS-OAQYLSRUSA-N 471.945 4.084 5 1 JIBF COc1ccc(CNc2ccc(C(=O)NCCCN(C)C)c3[nH]c4c(C)cccc4c(=O)c23)cc1 1772584713 HCHIYDMBEHAEDM-UHFFFAOYSA-N 472.589 4.292 5 1 JIBF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 769038 WFTGDMODGBEGLL-IEBWSBKVSA-N 466.321 4.128 5 1 JIBF N=C(NCc1ccccc1)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 71295202 DHGJPROIRQAGPY-UHFFFAOYSA-N 489.561 4.148 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCn2cc([N+](=O)[O-])cn2)c1 587574665 GFFCULJBBZONOK-QPPBQGQZSA-N 459.414 4.236 5 1 JIBF COCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 82134798 SLGLUPUERWOZOB-UHFFFAOYSA-N 475.427 4.059 5 1 JIBF O=C(NCc1ccc2c(c1)OCO2)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82135506 UEDGVZJFKQFUJZ-UHFFFAOYSA-N 483.484 4.323 5 1 JIBF O=C(O[C@H]1C[N+]2(CCOCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 113051649 NETKUYSZWVBUQE-ZVOVCPRUSA-N 484.663 4.415 5 1 JIBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCn1cc([N+](=O)[O-])cn1 587577613 TWHCGDHJNGQTGB-DHLKQENFSA-N 489.440 4.245 5 1 JIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 587868076 FVDHVOFKGXMASZ-UHFFFAOYSA-N 486.410 4.122 5 1 JIBF COc1cc2c(cc1OC)[C@@](C)(c1ccc(F)cc1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2 963138372 GNEOKGSHESJLNA-RUZDIDTESA-N 465.481 4.295 5 1 JIBF Cn1c2ccccc2c(=NCCCN2CCOCC2)c2oc3ccc(OCCC[N+](C)(C)C)cc3c21 1772627706 GPOHAANMFRKWTM-UHFFFAOYSA-N 491.656 4.176 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 586949200 UZOQRZVYWAYLLX-UHFFFAOYSA-N 470.438 4.085 5 1 JIBF O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656764 NFSZKCBZLIDJPB-UHFFFAOYSA-N 487.422 4.183 5 1 JIBF O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661447 OIVCQOJQLQAHJR-UHFFFAOYSA-N 469.432 4.044 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587665139 MXMYTAOXZUJNBC-UHFFFAOYSA-N 472.501 4.406 5 1 JIBF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 49111224 ZOZDTKDXZGWUSA-JOCHJYFZSA-N 481.461 4.044 5 1 JIBF CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCC(=O)CC1 587235437 MWHKCJJCKFNQHG-UHFFFAOYSA-N 453.293 4.097 5 1 JIBF COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748201 SPXOBXIGNSWJTE-YUNKPMOVSA-N 451.292 4.032 5 1 JIBF O=C1c2ccccc2[C@]2(N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2c1cccc2[N+](=O)[O-] 962699331 IPFUGEFZFAIBLW-WZONZLPQSA-N 486.377 4.188 5 1 JIBF COC(=O)c1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c(F)c1Nc1ccccc1 587270689 YRBVWWCGXHHXQG-UHFFFAOYSA-N 473.424 4.388 5 1 JIBF O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNC[C@@H]2CCc3ccccc3C2)CC1 100002033 ISSSVYKMIIAPTH-QHAWAJNXSA-N 471.623 4.074 5 3 JIBF in-vitro O=C(NCCCCc1ccccc1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 103765586 AJVHLBIZFWJCAE-WNJJXGMVSA-N 498.583 4.339 5 3 JIBF aggregator COc1ccc(S(=O)(=O)N[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H](C)O)cc1 586938989 ZKGSEQFSRNJMNC-QRQCRPRQSA-N 461.543 4.278 5 1 JIBF CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)cc1OCC 587668369 AQPVVPPYDLXFFN-MRXNPFEDSA-N 491.504 4.175 5 1 JIBF CCN(CC)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+]3(C)CCOCC3)cc12 1772570540 PDFBYIPDZSUNQY-UHFFFAOYSA-N 491.656 4.176 5 1 JIBF COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCCC(=O)O 1633150 NBQBKQUTUYIBKR-UHFFFAOYSA-N 453.491 4.171 5 1 JIBF COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc([N+](=O)[O-])c1 13676652 ORFCLRGEMAZVIP-UHFFFAOYSA-N 468.506 4.238 5 1 JIBF O=[N+]([O-])c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)nn1CC(F)(F)F 587091641 GYTADSKUBSZAQP-UHFFFAOYSA-N 469.015 4.422 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 587744639 FANQGKIPHSCYMO-DMZKTXOQSA-N 478.362 4.329 5 1 JIBF O=C(NCc1ccco1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 61959392 DSGKJWJPIKZWNT-NRFANRHFSA-N 471.473 4.175 5 3 JIBF COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCc3ccccc3F)n2)cc1[N+](=O)[O-] 82195679 OJYASCBMICMWRG-LJQANCHMSA-N 470.526 4.194 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587946548 WGGMUFJRDBQTOE-UHFFFAOYSA-N 490.495 4.271 5 1 JIBF O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 103194327 WWOYQQYXBCPNFY-UHFFFAOYSA-N 460.435 4.308 5 1 JIBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 587266597 LHVVRSJDQSVJHO-WIUDPPPLSA-N 459.422 4.010 5 1 JIBF C[C@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857595940 SYZSLFJPTDBMGH-INIZCTEOSA-N 452.307 4.401 5 1 JIBF C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 4050792 XVNYNXRFNGMDNB-QQFWFLOESA-N 477.448 4.432 5 1 JIBF Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)N[C@H]1CCCN(c2cccc(C(=O)O)c2)C1 82157960 OMPGMGYGJYWYHN-KRWDZBQOSA-N 466.519 4.124 5 1 JIBF CC(=O)c1ccc2c(c1)[C@H](c1c(F)ccc([N+](=O)[O-])c1F)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962640665 WTJQSFKIRJIOCA-FXAWDEMLSA-N 476.432 4.411 5 1 JIBF C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968640 PPHPUMGWUUJZER-AFIBHVPFSA-N 489.258 4.133 5 1 JIBF O=c1nc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)sc2ccc(C(F)(F)F)cc12 1772634321 NMHUNMPGQJMBPQ-UHFFFAOYSA-N 495.508 4.103 5 1 JIBF CC(=O)Nc1ccc(SC[C@@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 3814372 NDPHFBYLOVVWLR-GOSISDBHSA-N 457.430 4.054 5 1 JIBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 586969945 RCFFSAXSKRXBPL-STQMWFEESA-N 495.521 4.228 5 1 JIBF CCOC(=O)c1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620209 AOUWFVYULQANRY-UHFFFAOYSA-N 496.501 4.124 5 1 JIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(Br)cnc(Br)c3[nH]2)c1 587262377 QYHMDBGVOWHHNH-UHFFFAOYSA-N 456.094 4.321 5 1 JIBF Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O 587576908 QDPGNCHIAJCYDA-ZEQKJWHPSA-N 470.437 4.357 5 1 JIBF CCOC(=O)[C@H](C)[C@]1(C)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963014720 JSKVSGDLACHWRU-KIMHHRBCSA-N 483.568 4.249 5 1 JIBF CCOC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(C)=C(C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 96917951 FDHIRDHXMQWQIF-QHCPKHFHSA-N 480.473 4.211 5 1 JIBF Cc1c(I)cnn1[C@@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 587182416 OCYXZAYAOVJUMT-NSHDSACASA-N 454.275 4.378 5 1 JIBF Cc1c(Br)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1C 587264217 KIZIOJIDCIYACH-QGHHPUGFSA-N 464.276 4.293 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 587749740 FDUAKJISQSEMOH-MPBGBICISA-N 461.291 4.353 5 1 JIBF CC1=C[C@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356823477 JWEBPAJAEHSWRR-MZKRTTBSSA-N 454.571 4.499 5 1 JIBF CCOC(=O)C1=C(C)N=C(C)N(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 26490845 BGESPNAQTXZTCW-DEOSSOPVSA-N 494.548 4.476 5 1 JIBF CCCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1cccc([N+](=O)[O-])c1 82134524 QOSJGARKPKVCPI-UHFFFAOYSA-N 465.510 4.211 5 1 JIBF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4206817 OPXXQHGSWMJRSJ-CTNGQTDRSA-N 461.902 4.274 5 1 JIBF CCC[N@+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1COc2cccc(OC)c2C1 253851625 JKDNPVDWERGGAV-ONOMSOESSA-N 457.635 4.345 5 1 JIBF O=C(N[C@@H]1CCc2ccccc21)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 59785779 GROYXXKYNKBMIG-BXTSTYNKSA-N 482.540 4.004 5 3 JIBF N[C@@H]1CC[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1 587247742 YEXRBLCKGZFOCB-QWHCGFSZSA-N 455.470 4.440 5 1 JIBF CCOC(=O)c1c(NCc2ccc3c(-c4nnn[nH]4)cc4ccccc4c(=O)c3c2)cc(C)nc1C 13742172 LRTRZLGGAOWDNL-UHFFFAOYSA-N 480.528 4.334 5 1 JIBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(NC(=O)CCCC(=O)NO)cc3)cc12)c1ccccc1 138893242 SMDISTWGFIENMP-MRXNPFEDSA-N 458.522 4.412 5 1 JIBF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587118279 KZWGBUIBLQHJJY-UHFFFAOYSA-N 479.440 4.195 5 1 JIBF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1csc([N+](=O)[O-])c1 963062495 DOTYJDQVBOCUOG-XGHQBKJUSA-N 487.534 4.224 5 1 JIBF CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C(C)C)CC1 2356862657 DBHIDFGMENWKLA-WPFOTENUSA-N 481.597 4.206 5 1 JIBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(c4ccccc4)CC1)[C@@H](C2)C3=O 587431861 HSRLLNXFRDKNEW-CUNXSJBXSA-N 471.513 4.419 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)OCc2ccc([N+](=O)[O-])cc2)N1 587749573 DQQPASMGHXOBCL-ODXCJYRJSA-N 451.292 4.379 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 587865580 BSXSGWIIQREMSC-UHFFFAOYSA-N 450.329 4.473 5 1 JIBF O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 8829408 NHJYVWTXOPCACX-MRXNPFEDSA-N 461.318 4.442 5 3 JIBF O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3c([N+](=O)[O-])cccc3s2)cc1 103195981 YBQWPYBNCCKGBT-UHFFFAOYSA-N 460.435 4.308 5 1 JIBF CCc1ccccc1NC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)NCCc2nc3ccccn3c21 962991176 UIKYUXLIKWEYDJ-AREMUKBSSA-N 455.518 4.223 5 1 JIBF CN(C)Cc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(CN(C)C)cc3)cc([N+](=O)[O-])c2)cc1 1857564766 FAQUXNLBZPGCHK-UHFFFAOYSA-N 475.549 4.223 5 1 JIBF CCOC(=O)Cc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587053057 ALHHDZLYLYKLSP-FQEVSTJZSA-N 458.902 4.357 5 1 JIBF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653785956 WXFJAWWXWDNJPZ-MZNJEOGPSA-N 489.532 4.351 5 1 JIBF CC1=C[C@H](CN2CCC(O)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356823476 JWEBPAJAEHSWRR-MIZPHKNDSA-N 454.571 4.499 5 1 JIBF COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+](=O)[O-] 13676649 XJDCBRPORGPJTQ-UHFFFAOYSA-N 468.506 4.238 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586941201 RCAAQUUCAVPWKU-UHFFFAOYSA-N 480.877 4.344 5 1 JIBF O=C(O)/C=C/C=C/c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 587968719 ONELOBRKQQVSRD-ZPUQHVIOSA-N 468.421 4.499 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 586942077 ZTOIPGLINBZBQI-UHFFFAOYSA-N 496.876 4.224 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118595 OWBOVCIEWHAKCR-UHFFFAOYSA-N 457.166 4.152 5 1 JIBF COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)o1 587276007 IPOPXWCUILETPN-UHFFFAOYSA-N 473.235 4.490 5 1 JIBF CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587744809 FSIHPBSBQNLMKD-ODXCJYRJSA-N 451.292 4.227 5 1 JIBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccccc3CO)cc(Cl)cn12 1857765886 XHCUKZMKIMTGFN-UHFFFAOYSA-N 457.895 4.029 5 1 JIBF COCCNc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82136112 MMVIVVVKWJAVEV-UHFFFAOYSA-N 475.427 4.059 5 1 JIBF CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587744811 FSIHPBSBQNLMKD-YUNKPMOVSA-N 451.292 4.227 5 1 JIBF CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961119 QTLMUJWFYRUYAX-QHCPKHFHSA-N 478.467 4.462 5 1 JIBF C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968646 PPHPUMGWUUJZER-WKKYAJNHSA-N 489.258 4.133 5 1 JIBF CC1=C([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)[C@H](c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 963117207 CUNUHMAHBQSKEZ-RBBKRZOGSA-N 471.348 4.496 5 1 JIBF O=C1c2ccccc2C[C@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 66258601 UAYJMRPBISYAGG-ZCUSHOGSSA-N 483.549 4.340 5 1 JIBF O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874738 BDFJJTDCILNJLT-UHFFFAOYSA-N 480.433 4.192 5 1 JIBF O=C(NS(=O)(=O)c1c(-c2ccccc2)noc1-c1ccc([N+](=O)[O-])cc1)c1cccs1 1857774521 DFCMRUDIJOVDBV-UHFFFAOYSA-N 455.473 4.097 5 1 JIBF O=C(N[C@H]1CCc2ccccc21)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 13478411 GROYXXKYNKBMIG-QQNWGBJXSA-N 482.540 4.004 5 1 JIBF CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1COc2cccc(OC)c2C1 13737097 JKDNPVDWERGGAV-QYWNIODHSA-N 457.635 4.345 5 1 JIBF O=c1c(-c2ccc3c(c2)OCO3)coc2c1c(O)cc1occ(-c3ccc4c(c3)OCO4)c(=O)c12 653895739 CKASYTQTNOSGTL-UHFFFAOYSA-N 470.389 4.396 5 1 JIBF Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336776 AOQWMHZFXJMUMP-RCZVLFRGSA-N 459.433 4.476 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(-n3cccn3)c2c1 587620206 ANRBJLFQYRYGMZ-UHFFFAOYSA-N 469.523 4.369 5 1 JIBF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 587749106 XAUZVTGSZVEYKU-WSVYEEACSA-N 489.301 4.091 5 1 JIBF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774540 WDUVFZFYDIPKHF-WBVHZDCISA-N 485.880 4.332 5 1 JIBF Cc1nc2cc(C)c(CN(C)c3ccc(C(=O)NCc4cccc([N+](=O)[O-])c4)c(F)c3)cc2c(=O)[nH]1 13746458 HKMFQHRHZOYJCD-UHFFFAOYSA-N 489.507 4.154 5 1 JIBF COc1ccc([C@]2(C)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 962635255 UULBHNHASAMFRC-NBGIEHNGSA-N 484.505 4.316 5 1 JIBF COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c(C)n2-c1ccc(C)cc1 1772614572 RKGAYYARWYVXML-UHFFFAOYSA-N 493.541 4.212 5 1 JIBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC 767724 CCRCAJQMWGOVNI-ZCYQVOJMSA-N 493.491 4.202 5 1 JIBF O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1)c1cccc2ccccc12 29229407 VLAZHAYFJDZIQM-VWLOTQADSA-N 453.498 4.406 5 1 JIBF CN(C)CCCn1c(=S)n(CCCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32 31900086 CJPYPDQRRWUQBT-UHFFFAOYSA-N 482.610 4.391 5 1 JIBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC 774972 LQWOYOIXYWPTEA-FUHWJXTLSA-N 485.468 4.106 5 1 JIBF Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 101521955 YGULJBMUJUDJHX-QRQCRPRQSA-N 477.608 4.471 5 1 JIBF O=C(CNN1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 103207163 KLRVUNFMHQDYRO-NHDPSOOVSA-N 480.402 4.030 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CO)c(-c3ccc(F)cc3)c2c1 587620624 FLQNEASNMSAOTP-UHFFFAOYSA-N 471.466 4.184 5 1 JIBF O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccc([N+](=O)[O-])s1 1911584298 DBFNWLQFVGWHBW-ZPICJPFVSA-N 456.545 4.375 5 1 JIBF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc2c(c1[N+](=O)[O-])OCO2 104038865 RABCQUCZTVBQNB-ZDUSSCGKSA-N 456.480 4.391 5 1 JIBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586946903 VBMVGCLUMLSSDG-MRXNPFEDSA-N 473.558 4.092 5 1 JIBF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206269 SRBBKKVDRKIEJM-UOXRKKOCSA-N 465.337 4.060 5 1 JIBF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653798209 AMGFBSMVLAHKRN-NPMXOYFQSA-N 493.495 4.182 5 1 JIBF Nc1ncccc1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587253545 KJHCDHPTPJDCLE-UHFFFAOYSA-N 478.464 4.413 5 1 JIBF COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1OC)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587432227 IOVUTUNVLSRZJN-RXFWQSSRSA-N 475.453 4.146 5 1 JIBF COc1ccc2c(c1OC)[C@@]1(CCc3ccc(OC)c([N+](=O)[O-])c31)N(C(=O)c1ccccc1N)CC2 963143060 QXRHWIMHKIKNHB-MHZLTWQESA-N 489.528 4.091 5 1 JIBF Nc1ccc(C(=O)c2ccc(Nc3nc(N)nc(OCc4ccccc4)c3[N+](=O)[O-])cc2)cc1 66077485 VCIOVTDRZWSVLH-UHFFFAOYSA-N 456.462 4.103 5 1 JIBF O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN1C(=S)NCc1ccccc1[N+](=O)[O-] 141081185 UZKMDJRPPAXGMU-HSZRJFAPSA-N 474.586 4.340 5 1 JIBF CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1Cl 586924474 AOIXGWGSHOMJHI-UHFFFAOYSA-N 470.763 4.244 5 1 JIBF CCOc1ccccc1[C@](N)(c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(F)(F)F 587091947 JUMRQQLDRMMTPN-INIZCTEOSA-N 459.222 4.397 5 1 JIBF O=C(NCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081159 YDXJCJSKVCJYKM-SFHVURJKSA-N 456.568 4.267 5 1 JIBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1cccn1Cc1ccccc1[N+](=O)[O-] 963146337 MZMKMCBRVXARJN-RBUKOAKNSA-N 484.534 4.237 5 1 JIBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 963184854 JSNIGAYYJQUKSW-SUMWQHHRSA-N 468.771 4.062 5 1 JIBF CCOc1ccc(-c2nn(C(=O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC 587669987 SEBKWQUKVPEURA-UHFFFAOYSA-N 489.484 4.488 5 1 JIBF COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1OC 13361832 AIJDFFXFTOATQM-OPKKROTRSA-O 493.624 4.427 5 1 JIBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 27725281 NGURHUORMNXUGO-VSRNGQBXSA-N 468.510 4.452 5 1 JIBF COc1cc2c(cc1C(=O)N(C)C)NC(=O)c1ccc(-c3ccc([N+](=O)[O-])c(OC)c3)cc1N2 29125610 OQMQLGVTGVOPFY-UHFFFAOYSA-N 462.462 4.290 5 1 JIBF NCCCO[C@@]1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 143369778 NQTXUYMNDYBODM-DEOSSOPVSA-N 451.910 4.471 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587055262 OBIQDAVBJGEPRR-KRWDZBQOSA-N 495.927 4.311 5 1 JIBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3c(Br)cccc3[N+](=O)[O-])N12 962666315 MYPRXSCHCLSECP-GHTZIAJQSA-N 456.296 4.094 5 1 JIBF O=C1NC(=O)c2c1c1c3ccc(Br)cc3[nH]c1c1c2c2cccc3c2n1C[C@H](CO)C3 14945604 WJKMSWAGLOGXLK-SNVBAGLBSA-N 474.314 4.240 5 1 JIBF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 82135658 GXVVEXONWQTPDH-UHFFFAOYSA-N 461.478 4.019 5 1 JIBF COc1ccc([C@H]2c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 962627861 LTBUICJDXRFZND-SFTDATJTSA-N 470.478 4.142 5 1 JIBF O=C1c2ccccc2[C@]2(N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2c1cccc2[N+](=O)[O-] 962699325 IPFUGEFZFAIBLW-FDDCHVKYSA-N 486.377 4.188 5 1 JIBF Cc1ccc(S(=O)(=O)/N=[S@@](\C)c2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)cc1 169338599 ATIUFXVFLRTQSR-PMERELPUSA-N 455.513 4.132 5 1 JIBF CS(=O)(=O)c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc([N+](=O)[O-])c1Cl 586926367 NVIWTOAXDCQJTL-UHFFFAOYSA-N 466.100 4.006 5 1 JIBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962915087 FSRSNHLUTZHOLI-QHCPKHFHSA-N 450.495 4.266 5 1 JIBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccc(F)c(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 169723532 WHUQHLYHGSJNGE-CTNGQTDRSA-N 458.417 4.238 5 1 JIBF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 586929985 FIHHHOYQIYIAJW-UHFFFAOYSA-N 475.546 4.298 5 1 JIBF CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748780 WJELMJXFKSOAHR-ODXCJYRJSA-N 451.292 4.227 5 1 JIBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4049582 CMQOWYOXXLMLMY-NOZRDPDXSA-N 493.491 4.202 5 1 JIBF CCCCCc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174562 XVAWMJJVVGSQSI-GOSISDBHSA-N 478.553 4.450 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@H]3CCCc4c3cccc4[N+](=O)[O-])C(F)(F)F)cc12 101395443 BFPGMZNBQDECJA-WHEQGISXSA-N 491.422 4.147 5 1 JIBF CSN1C(=O)C[C@H]1N(OCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 653746699 PJISELLHKJOEJS-INIZCTEOSA-N 455.414 4.024 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1cc2ccccc2cn1)C(Cl)(Cl)Cl 1857582079 QAUXBDQGNSEMTD-MRXNPFEDSA-N 487.731 4.183 5 1 JIBF CC(=O)NCCc1c2c(c3nccc4c5ccc(Br)cc5[nH]c1c34)NC(=O)CS2 14697400 JUNLUWNNIASCON-UHFFFAOYSA-N 469.364 4.355 5 1 JIBF biogenic O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccccc1)c1ccc([N+](=O)[O-])cc1 26648058 VIBSVCIXZPIZJS-VHEBQXMUSA-N 458.312 4.101 5 1 JIBF Cn1cnnc1Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587614842 VKTUFOZYQADCCU-DENIHFKCSA-N 476.470 4.283 5 1 JIBF COC(=O)C[C@@]1(Cc2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587744784 FQEJDIMLYYADNQ-FKIZINRSSA-N 451.292 4.032 5 1 JIBF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN(CC)CC 4152516 SIAAZNYWAIWKCI-FYYLOGMGSA-N 488.972 4.197 5 1 JIBF CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 13650011 KRUTXJLIGCXCJV-LICLKQGHSA-N 457.552 4.272 5 1 JIBF O=C(NC[C@@H]1CCCN(Cc2nc3ccccc3s2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O 473096921 BFYYEERFXQGFOZ-HNNXBMFYSA-N 477.546 4.100 5 1 JIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587109880 PKDCGTFWRXNRHD-UHFFFAOYSA-N 453.320 4.374 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C(C)=O)c2c1 587621496 WAELXFYTXOPSGA-UHFFFAOYSA-N 466.475 4.150 5 1 JIBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1c([N+](=O)[O-])cccc1C(F)(F)F 963155195 YDJVYWHHKQSUIA-GXTWGEPZSA-N 473.429 4.406 5 1 JIBF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]1CO1 299823452 DRSIARPQBQOMIB-SWWTWCKQSA-N 458.663 4.200 5 1 JIBF Cc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3c[nH]c4ccccc34)N[C@]23C(=O)Nc2ccccc23)cc1 1857556551 KPJWBERATWXYPI-RAKSCHNQSA-N 452.514 4.267 5 1 JIBF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 586969944 RCFFSAXSKRXBPL-CHWSQXEVSA-N 495.521 4.228 5 1 JIBF COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC 587574689 GKJYQGIWMAQHGQ-QPPBQGQZSA-N 451.431 4.281 5 1 JIBF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc([N+](=O)[O-])cc1)(c1cccc(Br)c1)NCC2 962934148 VDGXCQUGGPCDPG-XMMPIXPASA-N 480.362 4.497 5 1 JIBF O=C(Nc1ccc(C[C@@H](Nc2ncccc2[N+](=O)[O-])C(=O)O)cc1)c1c(Cl)cncc1Cl 13442605 GLVYIGCNVOBILB-OAHLLOKOSA-N 476.276 4.052 5 1 JIBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 82082827 LFIRNUUTIPLCBT-GFCCVEGCSA-N 494.451 4.052 5 1 JIBF O=c1c2ccccc2n(C[C@H](O)CN2CCC(N3CCCCC3)CC2)c2c(Cl)cccc12 49816731 KLZARWZGTAVTKX-HXUWFJFHSA-N 454.014 4.119 5 1 JIBF NCCCO[C@]1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 143369931 NQTXUYMNDYBODM-XMMPIXPASA-N 451.910 4.471 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3cccc(Nc4ncnc5cc6c(cc45)OCCO6)c3)nn2)c1 1857611529 QECDLKSKLSJIED-UHFFFAOYSA-N 467.445 4.301 5 1 JIBF COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc1)CC2 29062347 JMEQSJIJVWFGMT-UHFFFAOYSA-N 461.518 4.465 5 1 JIBF C[N@@+]1(CCOCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 253684876 SNNSMXBTHSLXDC-UCGGBYDDSA-O 456.610 4.391 5 1 JIBF C[C@@](O)(COC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801516 ROTNRZMHONHOIC-GOSISDBHSA-N 453.329 4.068 5 1 JIBF Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 34821643 ZXMHCKYMQZYMGD-UHFFFAOYSA-N 489.509 4.148 5 1 JIBF O=C(NCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73198816 IKVHCYCDKGZWGI-KRWDZBQOSA-N 478.383 4.044 5 1 JIBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962929810 UOVMIHVJILSYGV-BKMJKUGQSA-N 476.485 4.280 5 1 JIBF CO[C@@H]1[C@@H](O)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 2356704300 PALHDCQITMKWPC-BJUWQELWSA-N 453.498 4.127 5 1 JIBF CCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br 587265833 XPQBGPAESWBOPV-MGNBDDOMSA-N 494.302 4.465 5 1 JIBF N[C@@H](CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269446 CBTJADDKAHKEHY-ZDUSSCGKSA-N 486.248 4.151 5 1 JIBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82214853 KUTYZIDGXUFIDO-IAGOWNOFSA-N 489.532 4.193 5 1 JIBF COc1ccc(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82221448 AGRKXTUMOKNQIE-UHFFFAOYSA-N 490.545 4.399 5 1 JIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 587868702 PDCHCLXRYKWRJV-UHFFFAOYSA-N 490.398 4.024 5 1 JIBF CCOC(=O)[C@H](C)[C@@]1(C)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963014716 JSKVSGDLACHWRU-GOXZMRQGSA-N 483.568 4.249 5 1 JIBF Nc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CC(=O)N2Cc2cccnc2)ccc1O 26492630 VANNPPSFENWDML-ZQMYSKGWSA-N 497.349 4.035 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 586920072 LKYMONFLZZXVOW-UHFFFAOYSA-N 480.218 4.106 5 1 JIBF CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1 586926046 KVJSRJGDVOKROA-UHFFFAOYSA-N 486.550 4.311 5 1 JIBF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 962634524 KFDMOMQYQWMIOZ-PGRDOPGGSA-N 456.376 4.365 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](c2ccc(OC(F)(F)F)cc2[N+](=O)[O-])c2scnc2C[C@@H]1C(=O)O 963138814 IICCMJXHOUGUQF-KGLIPLIRSA-N 489.428 4.286 5 1 JIBF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586949992 KZIVGQUSDYOAOB-UHFFFAOYSA-N 453.436 4.156 5 1 JIBF N[C@@H](CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269331 AUXFGOXTSUAQPN-ZDUSSCGKSA-N 486.248 4.151 5 1 JIBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576391 OFVBMUPFFDCYDU-PXDATVDWSA-N 462.458 4.087 5 1 JIBF O=c1nc(N2C[C@H]3[C@H](NCC4CCCCC4)[C@H]3C2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857602444 PONHWNWKAWWTKO-QLPKVWCKSA-N 468.501 4.188 5 1 JIBF CCCCNS(=O)(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270132 QKJHJWCUEHHVHB-UHFFFAOYSA-N 451.508 4.279 5 1 JIBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)O2 587388420 BETFVZFQDVEEGS-VWLOTQADSA-N 461.474 4.159 5 1 JIBF C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575311 IZNPASROLKCKOD-DHLKQENFSA-N 462.458 4.014 5 1 JIBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21c2cc([N+](=O)[O-])ccc2-c2nn(C)c(C(C)(C)C)c21 963639366 UZXPQFCAUDMFSW-RXBISOJRSA-N 462.550 4.450 5 1 JIBF Cc1ccc([C@@]2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 5807964 XRMVGCUDTXEHCY-QFIPXVFZSA-N 455.854 4.010 5 1 JIBF Cc1onc(-c2nc3ncc(Br)c(Cl)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079940 PMFMCCICRLZMAZ-UHFFFAOYSA-N 473.074 4.144 5 1 JIBF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(OCCOC)c([N+](=O)[O-])c3)nc2c1 587266461 YIYVEEVKXWAHIW-UHFFFAOYSA-N 464.272 4.103 5 1 JIBF CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653791953 PYKAVGMHBXWHKV-MWTRTKDXSA-N 475.505 4.043 5 1 JIBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3C3(c4cc([N+](=O)[O-])ccc4-c4ccc([N+](=O)[O-])cc43)N12 962649542 XKLDLWBRPFLMTG-AREMUKBSSA-N 496.479 4.422 5 1 JIBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207625 CGDSQQDHBOJFLL-LYSIVYOWSA-N 478.332 4.413 5 1 JIBF Cc1c2c(c3oc4oc5c6c(c(O)cc5c4c(=O)c3c1O)OC(C)(C)[C@H](O)[C@@H]6O)C=CC(C)(C)O2 14823710 BAVSLOUVTXDGGF-WZONZLPQSA-N 480.469 4.162 5 1 JIBF biogenic CN[C@@H]1C[C@@H]2O[C@@](C)([C@@H]1OC)n1c3ccc(O)cc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)OC4 100806069 GZJKVFKNTQXSQM-WIFUGMKFSA-N 499.523 4.192 5 1 JIBF COC[C@]1(c2ccccn2)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963026019 RNLHAADYBHGMQH-YZNIXAGQSA-N 490.563 4.119 5 1 JIBF COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105175156 KDPZYJULCIYAFR-IAECCPNBSA-N 467.570 4.301 5 1 JIBF NC(=O)c1cc(N2CCC(c3nc4cc(Cl)cc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262899 HJNAQFSJWGTKOG-UHFFFAOYSA-N 478.734 4.370 5 1 JIBF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c4c1OCCO4)[C@@H](C2)C3=O 587419881 NEHCZJVHVFBQSZ-WVDJIFEKSA-N 452.246 4.344 5 1 JIBF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O 587432308 JJAIJAPESRPFEO-QYBDOPJKSA-N 475.453 4.494 5 1 JIBF O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085199 CICCCQKBQPXHRN-FQEVSTJZSA-N 454.552 4.330 5 1 JIBF COc1cc2c3c(c4ccc(OCCOC(=O)[C@H](C)N)cc4c2cc1OC)CN1CCCC[C@@H]1C3 1772642155 VNAGIBWSPLOYIR-ZWKOTPCHSA-N 478.589 4.190 5 1 JIBF C[C@@](O)(COc1ccccc1OC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857584514 OHBKIDFJJFHOPD-MRXNPFEDSA-N 468.306 4.281 5 1 JIBF Cn1ccc2ccc3c4[nH]c5c(CCN6CCSCC6)cccc5c4c4c(c3c21)C(=O)NC4=O 13535142 NZXJTWVLQGCJJH-UHFFFAOYSA-N 468.582 4.441 5 1 JIBF CCc1ccccc1[C@H]1CCN(Cc2cccnc2)[C@@H](c2ccc(O)c(NC(N)=O)c2)[C@@H]1[N+](=O)[O-] 40767294 QAKDXQOGBHUZBV-IEZKXTBUSA-N 475.549 4.216 5 1 JIBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCOc2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 169723562 VFPQFQROYHNIGP-IFMALSPDSA-N 486.908 4.492 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C 587865774 IITMYHQELRLRJX-LBPRGKRZSA-N 451.405 4.357 5 1 JIBF COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 653689039 RUQLIIQFUNICMI-ISKFKSNPSA-N 480.473 4.165 5 1 JIBF Cc1ccccc1-c1cc(C(=O)NCc2ccco2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 61959440 PYUVAVVCXGUAEE-OAQYLSRUSA-N 485.500 4.483 5 3 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(Cl)c3)cn1)C2 66259858 BDBPZXBDVLFNNW-AWEZNQCLSA-N 470.791 4.383 5 1 JIBF CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 586926559 RDBMNFKYGAAGHW-UHFFFAOYSA-N 486.550 4.311 5 1 JIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586945640 JXIVENMJJYGAGC-UHFFFAOYSA-N 483.325 4.034 5 1 JIBF CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587748013 ROQGUJCRIMPMRU-ZSEKCTLFSA-N 465.319 4.422 5 1 JIBF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](Cc2ccc([N+](=O)[O-])cc2)(c2cccnc2)N1 962694514 HLYNCLFAYAIANX-RBBKRZOGSA-N 475.398 4.233 5 1 JIBF C[C@@](O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857618763 LFFKNZYKGQZKAF-MRXNPFEDSA-N 468.306 4.281 5 1 JIBF COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(C)=O)[C@H]3COC(=O)[C@H]23)OCO4)cc2nc3ccccc3nc12 103284328 QDUYIMZOFQBASJ-KBRRSMIASA-N 498.491 4.059 5 1 JIBF CCOC(=O)c1cc(Br)cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 621476438 XTAOPLLNXPQXJC-UHFFFAOYSA-N 469.247 4.488 5 1 JIBF CC(=O)Oc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)OCc1cn(-c3cccc([N+](=O)[O-])c3)nn1)CC2 1772585731 PKQPKIANPQYWPU-VQIMIIECSA-N 492.532 4.202 5 1 JIBF COc1ccc2c(=O)c3cc(OC)c4c(c3oc2c1)O[C@@H](OC)[C@@H](c1ccc(O)c(OC)c1)O4 2356504494 UGBLMIVVSHFUSS-PXDATVDWSA-N 466.442 4.163 5 1 JIBF Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174545 OERQBRQKUJJILF-LJQANCHMSA-N 484.516 4.384 5 1 JIBF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 587748250 SVFVXZRBJVGPRS-WIUDPPPLSA-N 489.301 4.091 5 1 JIBF C[C@@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857619799 LKUVENVHGONQAD-MRXNPFEDSA-N 452.307 4.401 5 1 JIBF COc1cc(OC)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 586948151 FHJDYVHINKVROC-UHFFFAOYSA-N 468.491 4.265 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1 587579319 UPJBBXZALBPFRP-QPPBQGQZSA-N 459.414 4.236 5 1 JIBF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4055271 SEPHBPOTFTVDHM-CTNGQTDRSA-N 461.902 4.274 5 1 JIBF CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@@H]12)c1ccc(Cl)cc1 17176065 CGYCEJGQMYDKDT-MBRYKAOFSA-N 486.952 4.125 5 1 JIBF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc([N+](=O)[O-])cc1)(c1cccc(Br)c1)NCC2 962934147 VDGXCQUGGPCDPG-DEOSSOPVSA-N 480.362 4.497 5 1 JIBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C(=O)OC2 586915152 HHOVGFNLUQWORV-WCIBSUBMSA-N 455.442 4.425 5 1 JIBF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccc([N+](=O)[O-])n1 587749671 FCGTWESWGYGCHZ-QKVFXAPYSA-N 475.318 4.373 5 1 JIBF O=C(c1cccn2c(=O)c3cc(Cl)ccc3nc12)N1CCN(c2ccc(Cl)cc2)CC1 2957414 YOCOFGZBWFCCES-UHFFFAOYSA-N 453.329 4.117 5 1 JIBF C[N+](C)(C)CCC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O 29412156 BXHHNJMHISWKFD-UHFFFAOYSA-N 484.882 4.226 5 1 JIBF C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857577052 GCXINAWUBSKXLB-INIZCTEOSA-N 452.307 4.401 5 1 JIBF Cc1c([C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)oc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 104114742 OJBICOZAKFRFBW-HSZRJFAPSA-N 483.480 4.385 5 1 JIBF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587128673 PHMXRFNWZVJCOG-UHFFFAOYSA-N 463.423 4.083 5 1 JIBF Cc1nc2c(-c3ccc(Br)cc3)nc3ccc(Cl)cc3c2c(=O)n1CC(=O)O 1857644533 HQQAQBYPKAZWPK-UHFFFAOYSA-N 458.699 4.421 5 1 JIBF CC(=O)N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 586986460 XSRJYRYXUSBDKO-ZDUSSCGKSA-N 482.132 4.416 5 1 JIBF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 586997332 QJMNMYBWSCWYIV-CQSZACIVSA-N 476.331 4.307 5 1 JIBF O=[N+]([O-])c1ccc2nc(Nc3cc(S(=O)(=O)NC4CC4)ccc3-c3ccsc3)[nH]c2c1 1911573140 YKHRJDXBBFQWPZ-UHFFFAOYSA-N 455.521 4.384 5 1 JIBF CCCCCc1nc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82219624 FTBLLDHJRUUBDI-UHFFFAOYSA-N 478.553 4.416 5 1 JIBF CCOc1cc2oc(=O)c(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2cc1Br 587000676 SHZPEGLWQFKNKT-UHFFFAOYSA-N 475.211 4.314 5 1 JIBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587265694 HCKJVEJRWQOJKW-ZSEKCTLFSA-N 461.434 4.144 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747151 MRPXCQOFIXNWAX-GIPWTMENSA-N 466.307 4.283 5 1 JIBF NC(=O)[C@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82174564 FHGWETADIYGZQX-HNNXBMFYSA-N 460.519 4.030 5 1 JIBF COc1cc(Cn2cc(Cn3c4ccccc4c(=O)c4cccc(F)c43)nn2)cc(OC)c1OC 1911579946 ZYWWUHDIYLWYSS-UHFFFAOYSA-N 474.492 4.008 5 1 JIBF CC1CCN(C(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149628 ZIIPYUKTUUGATD-UHFFFAOYSA-N 475.505 4.265 5 1 JIBF NS(=O)(=O)c1cc2nc(-c3cc(Br)ccc3F)n3c4ccccc4oc(c1)c23 95586824 NKVCIALFRCDTSR-UHFFFAOYSA-N 460.284 4.450 5 1 JIBF COc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1 103247820 QAODYMRPSUYOPF-UHFFFAOYSA-N 450.546 4.300 5 1 JIBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 774086 OHRFBPXWSVTWRZ-KDOFPFPSSA-N 499.520 4.079 5 1 JIBF Cc1ccccc1/C(Br)=C(\NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1 26580330 KGFOJNOJYVTDGC-FMQUCBEESA-N 472.339 4.409 5 1 JIBF CN(C)c1ccc(C(=O)OC[C@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1 34801521 UEUMFTIEBCMRIS-FQEVSTJZSA-N 451.401 4.225 5 1 JIBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 58575181 IUWVOLABCHKXCY-NYYWCZLTSA-N 458.386 4.071 5 1 JIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 587872517 ZGMLSIUNJNSWDY-UHFFFAOYSA-N 453.430 4.139 5 1 JIBF COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCCN3CCOCC3)c2c1)C(=O)NC4=O 13535105 FVTCOCMWUORHEE-UHFFFAOYSA-N 496.567 4.054 5 1 JIBF CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@]12C(=O)Nc1ccc(F)cc12 169327860 OJEXDCVVMDBSDN-WRALFONMSA-N 477.448 4.049 5 1 JIBF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587216961 AALAIYSIRPWOAD-HNNXBMFYSA-N 499.480 4.469 5 1 JIBF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82080930 NDPJFKISBLIQJX-IBGZPJMESA-N 464.547 4.072 5 1 JIBF COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147862 RUSLOBPTXFKFNW-SLWXAUBPSA-N 467.570 4.301 5 1 JIBF N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([N+](=O)[O-])cc4[nH]2)cn3C2CC2)C1 587172631 KBLWACXVTYVLPR-AWEZNQCLSA-N 476.512 4.245 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747149 MRPXCQOFIXNWAX-BIBXISHDSA-N 466.307 4.283 5 1 JIBF COc1ccc(Cc2cn(C)c3ccc([N+](=O)[O-])cc23)cc1C(=O)NS(=O)(=O)c1ccccc1C 1857535062 PNYDUTZIIVZLRG-UHFFFAOYSA-N 493.541 4.113 5 1 JIBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccccc1Br 1857744212 ZLNCTAJUFQPILE-SFHVURJKSA-N 491.345 4.385 5 1 JIBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 586962352 WORAQVKNUPOBQU-VOWSPCBNSA-N 471.495 4.074 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576685 PITIOBLYRRFYQC-ZJSXRUAMSA-N 464.430 4.058 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1 587579324 UPJBBXZALBPFRP-ZJSXRUAMSA-N 459.414 4.236 5 1 JIBF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 963633429 HYOBDGBVLAIYRJ-LMKMVOKYSA-N 482.558 4.210 5 1 JIBF CCOC(=O)C1=C(COC(=O)c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169723440 OKCUJCHXFIGAPX-FGZHOGPDSA-N 494.500 4.006 5 1 JIBF COC1=C(CO)O[C@@H]2C[C@@]1(OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 202780584 BORNSRKIOQKELD-NGOKVRLYSA-N 481.508 4.228 5 1 JIBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCC[C@@H]([N+](=O)[O-])C2)N1C(=O)c1ccc(Cl)cc1 963005203 AGVDGHNNNNJSBK-NKNQFRNOSA-N 467.909 4.388 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 587750352 HTUALTMVUXARQP-MCMMXHMISA-N 472.314 4.474 5 1 JIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 587868946 XOBQOOPSONYBTE-GFCCVEGCSA-N 450.373 4.297 5 1 JIBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cc(C(F)(F)F)cc(Cl)c2F)CC1 653847509 LAOLCPAQFKTUSY-UHFFFAOYSA-N 460.815 4.410 5 1 JIBF O=C(NCc1nnc(-c2cccc3c(=O)c4ccccc4c(O)nc23)o1)c1ccccc1Cl 1857639720 XIDHEUAVKBYSNW-UHFFFAOYSA-N 458.861 4.087 5 1 JIBF CCN(CC)c1ccc(-c2nc3cc(S(N)(=O)=O)cc4oc5ccccc5n2c34)c(O)c1 95592313 CVHDYUZFSVJCMC-UHFFFAOYSA-N 450.520 4.100 5 1 JIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCn3cc([N+](=O)[O-])cn3)c(OC)c1)CC2=O 587471198 OSULBZLJLUAESS-OAQYLSRUSA-N 453.451 4.201 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 587747918 QWNFJXWCJMGMDX-YBTHPKLGSA-N 467.291 4.364 5 1 JIBF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1O 1857628317 ZDARPBSKZVRIIY-RUZDIDTESA-N 480.473 4.403 5 1 JIBF O=c1nc(N2CCC(NC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857767578 CVXMKMUNKACTGB-UHFFFAOYSA-N 456.490 4.475 5 1 JIBF O=C1c2ccccc2[C@](OCC2(CO)CC2)(c2ccc(F)cc2)N1Cc1ccc([N+](=O)[O-])cc1 142713999 IMSAUDJGAFQJKH-AREMUKBSSA-N 462.477 4.380 5 1 JIBF CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 169327969 ICTDYXJAQHRXCT-SGIRGMQISA-N 459.458 4.115 5 1 JIBF COc1c(NS(=O)(=O)c2ccc(N3CCCC3)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O 1857641590 JXMNKKOCQUPCFK-UHFFFAOYSA-N 496.541 4.070 5 1 JIBF COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC 767725 CCRCAJQMWGOVNI-UKILVPOCSA-N 493.491 4.202 5 1 JIBF CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c(CO)c(CO)c4c5ccccc5n2c4c31 29551840 LTDJBWOPRLOAFA-PFFNZIMVSA-N 471.557 4.095 5 1 JIBF COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12 169347093 RSBUZHQMONXISI-UHFFFAOYSA-N 482.474 4.175 5 1 JIBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccsc2CCN1Cc1cccn1C 962378746 ZMIIHAVOHPPDCN-XMMPIXPASA-N 452.580 4.334 5 1 JIBF COc1ccc(CCNc2ccc([C@@H](CC(N)=O)NC(=O)c3cc(C)cc(C)c3)cc2[N+](=O)[O-])cc1 15936244 AEZIKUPXULQGJB-XMMPIXPASA-N 490.560 4.221 5 3 JIBF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4153417 XSJWAENJUJHBMW-QXPQREGVSA-N 487.940 4.158 5 1 JIBF CC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 71329816 DORMVCLDXDMKMM-UHFFFAOYSA-N 473.455 4.442 5 1 JIBF CC[C@](O)(C(=O)OCC1=CC[N@@+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@@H]12)c1ccc(Cl)cc1 299815116 CGYCEJGQMYDKDT-LAGJCNCRSA-N 486.952 4.125 5 1 JIBF COC[C@H]1C[C@@H](COC)[C@H]2N[C@@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 27551036 KZUFDOMTNKRDOD-QLRUOVDTSA-N 494.551 4.315 5 1 JIBF CCCCCCOc1cc(COc2c(Cl)cc(CN=c3nn[nH][nH]3)cc2OC)ccc1[N+](=O)[O-] 473149135 HTZMILWSNSZKGF-UHFFFAOYSA-N 490.948 4.342 5 1 JIBF CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587746441 JZJCDMVLJBJHFP-FKIZINRSSA-N 451.292 4.227 5 1 JIBF O=c1c2ccc(C(F)(F)F)nc2nc(-c2ccccc2)n1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 653851636 IWZXRGBENBZOSW-UHFFFAOYSA-N 493.405 4.015 5 1 JIBF COc1cc(N2CN(c3nc4ccc([N+](=O)[O-])cc4s3)C(=O)c3cccnc32)cc(OC)c1OC 103237509 SASPTDHFTADLOO-UHFFFAOYSA-N 493.501 4.381 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587261643 DBUUBLQLOOXXDU-SECBINFHSA-N 479.243 4.493 5 1 JIBF NC(=O)c1cc(N2CCC(c3nc4c5cccnc5c5ncccc5c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262911 HXQHWDQLAPZUEL-UHFFFAOYSA-N 467.489 4.050 5 1 JIBF Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)c(C)c1[N+](=O)[O-] 587661443 OIBIMBPTRDTKRI-UHFFFAOYSA-N 487.447 4.254 5 1 JIBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4153886 ZBOXRGIXWKYXDR-ZFWSQSOWSA-N 489.956 4.262 5 1 JIBF COCCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 82134299 KNPONGQXKGBVJY-UHFFFAOYSA-N 489.454 4.449 5 1 JIBF N=C(N)c1ccc(OCCCCCOc2cccc([N+](=O)[O-])c2)c(I)c1 169318680 YBGLYCNUPHICLO-UHFFFAOYSA-N 469.279 4.112 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587261645 DBUUBLQLOOXXDU-VIFPVBQESA-N 479.243 4.493 5 1 JIBF COc1cccc(Nc2ncnc3sc4c(c23)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C4)c1 1857564860 IBDPJLBPGLYZIS-UHFFFAOYSA-N 497.558 4.099 5 1 JIBF O[C@@H]1[C@@H](n2c3ccc(Cl)cc3c3ccc4c5ccc(Cl)cc5[nH]c4c32)OC[C@@H](O)[C@H]1O 2356785842 XTRRPGKBCKWWND-QQUTXWOLSA-N 457.313 4.347 5 1 JIBF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)no1 5546113 NBQGSRALDBECKE-UHFFFAOYSA-N 474.498 4.031 5 1 JIBF CN[C@H]1C[C@H]2O[C@](C)([C@H]1OC)n1c3cc(OC)ccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 238737486 LIJXXVBGGBCIEP-HYIKNJEFSA-N 496.567 4.363 5 1 JIBF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])Cc1ccccc1)OCc1ccccc1 1772571365 RHIHZTLBXHBNPQ-KLXHEQSOSA-N 473.529 4.042 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 13878838 RBCNBNOBVZRYHJ-OAQYLSRUSA-N 466.925 4.136 5 3 JIBF Cc1ccc(N2CCN(c3cc4c(ncc5c4c(=O)c(C(=O)O)cn5C)c(F)c3Cl)CC2)cc1F 1493761 NKOUZKAZFCWFQV-UHFFFAOYSA-N 498.917 4.352 5 1 JIBF COC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587577631 TYJOIAGWOAOTQM-AUSIDOKSSA-N 450.403 4.356 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 587862509 BPUUOGQYBBSJFJ-UHFFFAOYSA-N 471.395 4.419 5 1 JIBF O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3cccc(C(F)(F)F)c3)[C@@H]12 653692043 OPXWZZXXNTXNEG-WLENULPWSA-N 451.404 4.221 5 1 JIBF O=C(NCCn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1Cl 103179529 LYOFZRJXYDFHBM-UHFFFAOYSA-N 463.881 4.447 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 586920129 MVEJMQYHZUJIIL-UHFFFAOYSA-N 464.219 4.226 5 1 JIBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OCc3ccccc3)c2[nH]1 587266723 NKUKSLJIYXPZJI-SZNDQCEHSA-N 463.450 4.492 5 1 JIBF COc1cc2c3c(c1)O[C@@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587434499 WLKPODWLBOGELR-SIBVEZHUSA-N 474.469 4.059 5 1 JIBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4153418 XSJWAENJUJHBMW-FAHLNCGFSA-N 487.940 4.158 5 1 JIBF O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)nn1-c1ncccc1Cl 103289826 WXKMHQSQOXUMBI-UHFFFAOYSA-N 457.071 4.497 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(OCCN(C)C)cc2[nH]1 587053954 HVHQYSMXIMXYPB-HXUWFJFHSA-N 459.934 4.192 5 1 JIBF Cc1sc2nc(COC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 9445017 ZDUYNBHHQXJOBI-LBPRGKRZSA-N 456.524 4.103 5 3 JIBF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN(CC)CC 4152515 SIAAZNYWAIWKCI-JTHBVZDNSA-N 488.972 4.197 5 1 JIBF O=[N+]([O-])c1cc(C(F)(F)F)cc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c12 38157650 VZWXFOJEQFSLIF-UHFFFAOYSA-N 460.338 4.230 5 1 JIBF COc1ccc(SC[C@@H](O)COc2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)cc1 169321937 RLOCZAGEEYVGLQ-HNNXBMFYSA-N 452.484 4.185 5 1 JIBF COCCNc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc1[N+](=O)[O-] 587266458 YEXFRLHPZAFLSV-UHFFFAOYSA-N 497.533 4.006 5 1 JIBF Cc1nn(Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c(C)c1[N+](=O)[O-] 587577682 UERRUIFTWIUTDN-HYBUGGRVSA-N 461.430 4.458 5 1 JIBF C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656193 HGRGPEZAOMJHJM-ZDUSSCGKSA-N 451.385 4.358 5 1 JIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 587868947 XOBQOOPSONYBTE-LBPRGKRZSA-N 450.373 4.297 5 1 JIBF O=C(OC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)C(O)(c1ccccc1)c1ccccc1 13835333 LDBBFRBGSKBSFA-UHFFFAOYSA-N 460.530 4.081 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@H]3CCCc4cc([N+](=O)[O-])ccc43)C(F)(F)F)cc12 101509256 VUBJMTZAKOQLNY-PEBXRYMYSA-N 491.422 4.147 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587053101 AZSDIPAIIONCAL-NRFANRHFSA-N 470.961 4.003 5 1 JIBF O=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1Nc1nc(N2CCOCC2)ncc1[N+](=O)[O-] 1772609359 HOMLYJWDEPSXEQ-UHFFFAOYSA-N 478.896 4.331 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4275106 XMGZDJUEDZUGKW-OYDLWJJNSA-N 483.521 4.187 5 1 JIBF O=C(c1ccc(Cl)cc1)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 72181739 HXGXMWFSSUGPDA-INIZCTEOSA-N 496.829 4.447 5 1 JIBF CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586949344 SGFDMTGYORZOAT-UHFFFAOYSA-N 498.517 4.355 5 1 JIBF Cc1cccc2c1[C@@H](c1ccc(Cn3cc([N+](=O)[O-])cn3)o1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963854340 OLVPBCIMWOBALC-UZUQRXQVSA-N 496.520 4.467 5 1 JIBF O=[N+]([O-])c1ccc(OCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)nc1 1772631885 HGCXPYQTGQBTLJ-UHFFFAOYSA-N 472.292 4.430 5 1 JIBF COc1ccc(NC(=O)/C=C/c2sc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 1857594279 RIIABKPZQNDMFA-ZHACJKMWSA-N 466.519 4.215 5 1 JIBF Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cncn3C)O2)c([N+](=O)[O-])c1 28219263 IDSQFTJASXFWNN-LGJMQFESSA-N 473.526 4.336 5 1 JIBF O=C1C[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F 587148085 FPTJIALLYNIYBW-SNVBAGLBSA-N 451.227 4.028 5 1 JIBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587269111 GKKRXDGEGMCMOJ-UHFFFAOYSA-N 451.508 4.231 5 1 JIBF CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587743801 BUYOXNVKKLROLI-MPBGBICISA-N 451.292 4.227 5 1 JIBF CC1=C([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)[C@@H](c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 963117196 CUNUHMAHBQSKEZ-IFMALSPDSA-N 471.348 4.496 5 1 JIBF CN[C@H]1C[C@@]2(C)O[C@@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356314283 XTGJCWHCHWNXSE-UHHFJWQXSA-N 466.541 4.354 5 1 JIBF CCN(CC)CCC(=O)Nc1ccc2c(O)c3cc(NC(=O)CCN(CC)CC)ccc3nc2c1 95606617 GIFUWDZAJFVYDK-UHFFFAOYSA-N 479.625 4.434 5 1 JIBF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105175294 OMNDDZYDAPZLSF-JKMAKKBCSA-N 465.554 4.007 5 1 JIBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 586962354 WORAQVKNUPOBQU-ZLXGRDSLSA-N 471.495 4.074 5 1 JIBF COc1cc(Br)c([C@@H](N)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1OC 586974156 CCCOHEBIXMMRKN-QGZVFWFLSA-N 464.323 4.487 5 1 JIBF COc1ccc2c(c1)CCN(C(=O)[C@H]1CC(=O)c3ccc(Cl)cc31)[C@@H]2C[N+]1(C)CCCC1 209467088 ORPZFCAVJWIWEA-BJKOFHAPSA-N 453.990 4.385 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 586920449 RANRZXFWETVCQP-UHFFFAOYSA-N 464.219 4.226 5 1 JIBF CCOC(=O)C1=C(COC(=O)c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723438 OKCUJCHXFIGAPX-YADHBBJMSA-N 494.500 4.006 5 1 JIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(I)cnc(Cl)c2[nH]1 587265948 VCRGEZHRYHFWEB-LURJTMIESA-N 488.629 4.205 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-n3cccn3)c2c1 587620485 CVHFXBDQZHXPJD-UHFFFAOYSA-N 455.496 4.195 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc(Br)c2[nH]1 587054713 LPBOUQJKFGWQHC-CQSZACIVSA-N 452.696 4.409 5 1 JIBF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587141931 ZWJPBBIDQNBKLQ-OAHLLOKOSA-N 485.881 4.238 5 1 JIBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587944472 CNFCFYSZDPQSFO-GFCCVEGCSA-N 475.502 4.083 5 1 JIBF O=[N+]([O-])c1cnc(/C=C/c2ccc(Br)cc2)n1CCn1cc(-c2ccccn2)nn1 1857768387 VCCOSXIVEXQYRE-RMKNXTFCSA-N 466.299 4.078 5 1 JIBF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4152693 AYSPJJCXYHGLKB-JTHBVZDNSA-N 471.510 4.019 5 1 JIBF O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 13646504 SMBFRPGYZZBJJN-FQEVSTJZSA-N 468.853 4.136 5 1 JIBF O=C(NCCN1CCCCC1)c1ccc(NCCN2CCCCC2)c2c(O)c3ccccc3nc12 13652291 JNXPQYIFYWIQRK-UHFFFAOYSA-N 475.637 4.207 5 1 JIBF O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)O3)cc1 169728041 FKVTXIZEZKAJTP-FQEVSTJZSA-N 459.414 4.398 5 1 JIBF COC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745278 HEISOFHCHYDIRC-DGIBIBHMSA-N 452.280 4.472 5 1 JIBF CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723520 PQNGUBRSSYTJHP-IRLDBZIGSA-N 481.461 4.258 5 1 JIBF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CC2)cc1 586954288 APJGTXHDIHKGFZ-UHFFFAOYSA-N 479.356 4.110 5 1 JIBF COC(=O)c1ccc(CN2C(=O)C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 653730565 UFFPHURXCRIQLV-CAOCKLPOSA-N 460.486 4.082 5 1 JIBF O=[N+]([O-])c1cccc(-c2cc(-c3ccncc3)nc(N3CCN(Cc4ccccc4)CC3)n2)c1 28474673 JDSIJYUOTYPJIN-UHFFFAOYSA-N 452.518 4.436 5 1 JIBF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)cc1 586944388 POHZVAMUGPMTPK-UHFFFAOYSA-N 484.921 4.473 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586948708 LDUIWSHIJBRHFL-UHFFFAOYSA-N 498.433 4.064 5 1 JIBF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@H](O)C[C@@H]1[C@@H]2C[C@H]2[C@@H]3C[N@+]4([O-])C[C@H](C)CC[C@H]4[C@H](C)[C@H]3CC[C@]21O 255229170 LVVAQKKHNSZEDE-ILOCOUHKSA-N 489.697 4.262 5 1 JIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587055268 OBIQDAVBJGEPRR-QGZVFWFLSA-N 495.927 4.311 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1 587579418 ZSPWYODXQRUOCO-BVAGGSTKSA-N 476.485 4.212 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 587752304 QRKHGGVQJIDLTK-YUNKPMOVSA-N 461.291 4.353 5 1 JIBF COc1cc2c(C(=O)OCCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 28392827 ZEKYUJNVWKLPTQ-UHFFFAOYSA-N 462.502 4.396 5 1 JIBF O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c([N+](=O)[O-])c1 587263829 GBDMRLFYWVTWRG-UHFFFAOYSA-N 487.881 4.424 5 1 JIBF Cc1oc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1[N+](=O)[O-] 587268598 GGKWZULQAJVLPL-UHFFFAOYSA-N 485.439 4.011 5 1 JIBF COc1ccc(CN2C(=O)C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1OC 653730415 BZFUGUVLPOHIBB-BYXVTNLJSA-N 462.502 4.312 5 1 JIBF CCCCCc1nc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174509 ZDCSHUHSQJJIMN-UHFFFAOYSA-N 478.553 4.416 5 1 JIBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576390 OFVBMUPFFDCYDU-OFVILXPXSA-N 462.458 4.087 5 1 JIBF O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576661 PGKKNYSTQPWIFN-XUZZJYLKSA-N 465.414 4.247 5 1 JIBF CC1=Nc2cc(=O)n(C(=O)c3ccccc3)n2[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)OC(C)C 100859268 XUSZXGKBKDVVCS-KEPZKYLNSA-N 462.462 4.137 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@H]3CCCc4c3cccc4[N+](=O)[O-])C(F)(F)F)cc12 101395446 BFPGMZNBQDECJA-DMZKTXOQSA-N 491.422 4.147 5 1 JIBF Cn1nc([N+](=O)[O-])cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587274174 GLZNQOFGYZYPGV-UHFFFAOYSA-N 497.423 4.154 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1 587579421 ZSPWYODXQRUOCO-ZEQKJWHPSA-N 476.485 4.212 5 1 JIBF COc1c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O 1857757549 DKVHONIFDCLSLM-UHFFFAOYSA-N 495.431 4.489 5 1 JIBF COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 98209110 OQYUKAFYGKRXTK-UHFFFAOYSA-N 456.886 4.183 5 1 JIBF in-vitro COC(=O)c1cc(Br)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 587270220 SPCDSQJWGPIRIV-UHFFFAOYSA-N 487.310 4.040 5 1 JIBF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCn1cc([N+](=O)[O-])cn1 587748675 BCXLNBANVZFJJZ-LAJNKCICSA-N 491.317 4.362 5 1 JIBF N=c1c(C(=O)N2CCC(c3ccccc3)CC2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 1857641887 MCZGAJVIGIHIHV-UHFFFAOYSA-N 489.579 4.197 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747155 MRPXCQOFIXNWAX-YBTHPKLGSA-N 466.307 4.283 5 1 JIBF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 587749101 XAUZVTGSZVEYKU-FIKIJFGZSA-N 489.301 4.091 5 1 JIBF CCOCCOCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587778595 OMIPKTOVAYWPRN-UHFFFAOYSA-N 474.469 4.398 5 1 JIBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 587860161 NMBPOTBPJUQCHX-UHFFFAOYSA-N 487.303 4.492 5 1 JIBF Cc1nnc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1)=N[C@@H]2NC(=O)OCc1ccccc1 96284878 BTDOCEWVMOVHSS-HSZRJFAPSA-N 468.473 4.260 5 1 JIBF O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662318 ZLPXWZLSSSFLJD-UHFFFAOYSA-N 469.432 4.044 5 1 JIBF COc1cc2c3c(c4ccc(OCCOC(=O)[C@H](C)N)cc4c2cc1OC)CN1CCCC[C@H]1C3 1772642154 VNAGIBWSPLOYIR-ROUUACIJSA-N 478.589 4.190 5 1 JIBF CN1CCN(CCCc2cccc3c2[nH]c2c4ccc5ccn(C)c5c4c4c(c32)C(=O)NC4=O)CC1 22452042 ATHMTZOFUCSRPV-UHFFFAOYSA-N 479.584 4.030 5 1 JIBF Nc1ccc(C[C@H](NNc2nc(-c3ccc(Cl)c(Cl)c3)cs2)C(=O)O)cc1[N+](=O)[O-] 98208391 XPSGVIWZSZWGCS-AWEZNQCLSA-N 468.322 4.220 5 1 JIBF in-vitro O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207626 CGDSQQDHBOJFLL-BOFXEDATSA-N 478.332 4.413 5 1 JIBF COCC[N@+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 253686528 XEKBKFPFVCGCBX-SYBRLPANSA-O 486.636 4.270 5 1 JIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O 587473480 VYMBPVUNTFSLEI-CWTRNNRKSA-N 459.451 4.210 5 1 JIBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc([N+](=O)[O-])cc1Br 587654756 ZGNXPJNMLJNTBO-UHFFFAOYSA-N 459.206 4.397 5 1 JIBF O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 72106732 XBSMRHHWAWUWQG-UHFFFAOYSA-N 467.495 4.176 5 1 JIBF Cc1ccc2ncc3c(=O)n(CCN4CCN(c5cccc(C(F)(F)F)c5)CC4)cnc3c2c1 72106285 ZIMITMFZSBAMOP-UHFFFAOYSA-N 467.495 4.094 5 1 JIBF CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3cccc([N+](=O)[O-])c23)c(C(=O)OCC)n1 587647742 NRXQYBZBEBHRPO-UHFFFAOYSA-N 478.461 4.291 5 1 JIBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc([N+](=O)[O-])cc4[nH]2)cn3C2CC2)CC1 587173041 RLHDMOCZNVKMNK-UHFFFAOYSA-N 476.512 4.069 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C[N+](=O)[O-])c(-c3ccccc3)c2c1 587621247 QYCYKKVWLBRAHH-UHFFFAOYSA-N 482.474 4.329 5 1 JIBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587264797 KASSLCRPCKZFCB-JTQLQIEISA-N 461.194 4.080 5 1 JIBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1 587938998 AEOOIUGXNBKOED-UHFFFAOYSA-N 455.062 4.384 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1nccc2ccccc12)C(Cl)(Cl)Cl 1857541702 WBBJOQPNKAGAHU-MRXNPFEDSA-N 487.731 4.183 5 1 JIBF CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccc(N3CCOCC3)cc12 1911584628 BXCOFEOQTZAKRD-UHFFFAOYSA-N 467.525 4.386 5 1 JIBF CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)NC1C2CC3CC(C2)CC1C3 64704914 YSUGMJRQWZNIKL-UHFFFAOYSA-N 489.619 4.239 5 1 JIBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccccc3I)c[n+]12 299844760 YNBUROXXNMRVGK-UHFFFAOYSA-O 468.274 4.242 5 1 JIBF COC(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1OC 587057943 YLBJAUJXLHTNBV-MRXNPFEDSA-N 460.874 4.047 5 1 JIBF O=C(N[C@@H]1CCc2ccccc21)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 253947038 GROYXXKYNKBMIG-OARDWFSCSA-N 482.540 4.004 5 3 JIBF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82224576 BTIIZUACYPRZMM-SLWXAUBPSA-N 465.554 4.007 5 1 JIBF O=C(O)/C=C/C=C\c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 587968718 ONELOBRKQQVSRD-HSFFGMMNSA-N 468.421 4.499 5 1 JIBF CN1CCN(c2ncc([N+](=O)[O-])c(Nc3c(C(=O)c4cccs4)[nH]c4cc(Cl)ccc34)n2)CC1 1772651012 RZPOCLVEUXORIV-UHFFFAOYSA-N 497.968 4.307 5 1 JIBF O=[N+]([O-])c1ccc(CO[C@@H](Cn2c[n+](Cc3ccc([N+](=O)[O-])cc3)cn2)c2ccc(F)cc2F)cc1 1857538218 XKZCYQIKEJJKSU-DEOSSOPVSA-N 496.450 4.272 5 1 JIBF Cc1ccc([C@@]2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccccc2Cl)cc1 5807963 QZRSETPEVKTSNM-QFIPXVFZSA-N 455.854 4.010 5 1 JIBF CCN(CC)CCNc1ccc(CNC(=O)C(F)(F)F)c2sc3ccccc3c(=O)c12 101299032 IOHKTKIFSDVUKA-UHFFFAOYSA-N 451.514 4.347 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82135475 DNQSAXUTBDKSBY-UHFFFAOYSA-N 493.564 4.179 5 1 JIBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccc(Br)cc1 299849294 FUQAETOLINWHNR-YYTDSSBASA-N 464.319 4.370 5 1 JIBF CO[C@@H]1[C@@H]([N+](=O)[O-])C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 36413687 JKMSTDRLBRMIJT-GNIPNZNASA-N 482.496 4.411 5 1 JIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587267860 HGCFPYMWRSODEX-UHFFFAOYSA-N 474.930 4.294 5 1 JIBF CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748781 WJELMJXFKSOAHR-YUNKPMOVSA-N 451.292 4.227 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 587747094 LYRAYNPFZNFZFS-MCMMXHMISA-N 478.362 4.329 5 1 JIBF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC1)C2 103276015 LPOQCSUDLGWENR-KRWDZBQOSA-N 469.563 4.466 5 1 JIBF CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587745728 KHHLBQSONMNKFK-FDMGOTLNSA-N 497.317 4.371 5 1 JIBF CCOC(=O)C1=C[C@@H](C2CCCC2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 72137796 MAHJGNHJPJBQHE-GOTSBHOMSA-N 470.547 4.389 5 3 JIBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263804 OODYDVCTHKUICB-DQYPLSBCSA-N 474.439 4.495 5 1 JIBF C[C@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575314 IZNPASROLKCKOD-WIOPSUGQSA-N 462.458 4.014 5 1 JIBF C[N+]1(CCOCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 34802163 SNNSMXBTHSLXDC-BSXJZHEVSA-O 456.610 4.391 5 1 JIBF O=C(CSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 45354726 HJJUJIHAMWVUAB-UHFFFAOYSA-N 465.318 4.307 5 1 JIBF COC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587749167 XRFHCYFVKQDCPN-GIGQVBGESA-N 452.280 4.472 5 1 JIBF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)no1 5538196 VMJYVQFRLNXXTM-UHFFFAOYSA-N 474.498 4.031 5 1 JIBF COC(=O)c1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1OC 587119029 UGDOLEKGJNXOBX-UHFFFAOYSA-N 475.383 4.197 5 1 JIBF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c4c1OCCO4)[C@@H](C2)C3=O 587419878 NEHCZJVHVFBQSZ-FVINQWEUSA-N 452.246 4.344 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3cnn(C)c3)c2c1 587619238 DIGKBUFDXWTKHB-UHFFFAOYSA-N 495.439 4.305 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCC[C@@H](C)C3)c2c1 587620465 CIAIRYKWQKNYBM-CQSZACIVSA-N 458.540 4.430 5 1 JIBF COC(=O)c1nc(Nc2ccc3ccc4cccc5ccc2c3c45)n(COCCOC(C)=O)n1 95561137 YCURPRGFFZNCKL-UHFFFAOYSA-N 458.474 4.243 5 1 JIBF O=C(N[C@@H]1CCc2ccccc21)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 13478409 GROYXXKYNKBMIG-SKVJQKLOSA-N 482.540 4.004 5 3 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214125 VSYHBIIJQAWIGQ-BWPZPKMVSA-N 477.558 4.046 5 1 JIBF O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3cccc(Cl)c3)n[nH]c2c1=O)c1ccccc1 49089335 KNLLJTIYGWFAMN-UHFFFAOYSA-N 486.875 4.399 5 1 JIBF CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 103293861 VMPOXWLPFHATJS-MRXNPFEDSA-N 450.167 4.354 5 1 JIBF O=C(O)c1cc(-c2ccccc2[N+](=O)[O-])nn1C[C@@H](O)COc1cccc2[nH]c3ccccc3c12 64446929 IWMWEVMTSKJHNP-OAHLLOKOSA-N 472.457 4.231 5 1 JIBF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586976937 CWRGCERMRZCTLE-JTQLQIEISA-N 474.084 4.083 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 587747366 NDSOTAQQBBJWAZ-MCMMXHMISA-N 472.314 4.474 5 1 JIBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCC[C@H]([N+](=O)[O-])C2)N1C(=O)c1ccc(Cl)cc1 963005202 AGVDGHNNNNJSBK-GSMBIVSISA-N 467.909 4.388 5 1 JIBF C[C@](O)(COc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857618762 LFFKNZYKGQZKAF-INIZCTEOSA-N 468.306 4.281 5 1 JIBF CC1=C(C(=O)Nc2nccs2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2nccs2)=C(C)N1 96940464 GUCZBIRDNYVRJZ-UHFFFAOYSA-N 482.547 4.020 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C(F)(F)F)cc12 101046681 BGMFAXNBXUEDNN-JLCFBVMHSA-N 491.422 4.147 5 1 JIBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 587266596 LHVVRSJDQSVJHO-MQJDWESPSA-N 459.422 4.010 5 1 JIBF Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O 587576906 QDPGNCHIAJCYDA-OZXSUGGESA-N 470.437 4.357 5 1 JIBF CC[C@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 587666571 DIKOENXFYLSULB-OAQYLSRUSA-N 490.520 4.012 5 1 JIBF COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN[C@H]2CCC[C@H](C)[C@@H]2C)cc(OC)c1 20155171 DFCIHROEZVINHK-WCJKSRRJSA-N 484.553 4.217 5 1 JIBF Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 84690710 YGULJBMUJUDJHX-IVZQSRNASA-N 477.608 4.471 5 1 JIBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 587265568 GBJZSJDGBGUJGK-DIFFPNOSSA-N 459.422 4.010 5 1 JIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(I)c2[nH]1 587265673 SBYKLIIZYYICMP-QMMMGPOBSA-N 453.196 4.157 5 1 JIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 587269061 JMLIETLWPNMYBI-UHFFFAOYSA-N 469.670 4.391 5 1 JIBF CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653791955 PYKAVGMHBXWHKV-QMHKHESXSA-N 475.505 4.043 5 1 JIBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCCN2CCCC2)cc1 4040158 ZTTBNOMULUCCGO-UPVQGACJSA-N 499.999 4.008 5 1 JIBF O=C(CCN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC4)cc3nc2c1 13527892 WQSTTZVZUNIDBE-UHFFFAOYSA-N 459.594 4.237 5 1 JIBF in-vitro CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587937400 QRJOHLDGKRRMDM-OAHLLOKOSA-N 481.391 4.127 5 1 JIBF Cc1cc(Cl)ccc1N1C(=O)[C@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccs1 2462768 CVEMNAHTMODJAN-RBUKOAKNSA-N 467.890 4.371 5 1 JIBF Cc1onc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079394 JKHUCNIGQYTEIR-UHFFFAOYSA-N 464.873 4.164 5 1 JIBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cc([N+](=O)[O-])cn1 587574700 GMOJVWPEETYXGL-WIOPSUGQSA-N 473.441 4.257 5 1 JIBF CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)cn1 587620886 IWEAAIKMVSKETQ-UHFFFAOYSA-N 455.496 4.077 5 1 JIBF CCN(CC)CCn1nc2c3cc(O)ccc3sc3c(NCCN4CCOC4=O)ccc1c32 29324042 GERHYFJNZXQTKI-UHFFFAOYSA-N 467.595 4.316 5 1 JIBF COCCNc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 82150251 DGUPGAWXCVCUHJ-UHFFFAOYSA-N 475.427 4.059 5 1 JIBF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)c1C 586947595 VFXPULKZYYYWNE-UHFFFAOYSA-N 467.463 4.464 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 587753296 UWMKAIIAYZTHAO-MPBGBICISA-N 461.291 4.353 5 1 JIBF COc1ccccc1NC(=O)c1c(Sc2ccc([N+](=O)[O-])cc2)cccc1N1CCNCC1 1772601159 AXFOBMZAKMPFLT-UHFFFAOYSA-N 464.547 4.417 5 1 JIBF O=c1nc(N2C[C@H]3CN(Cc4ccc(F)cc4)C[C@@H]3C2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857599473 HEMZISWWZRKYBK-ZIAGYGMSSA-N 494.470 4.291 5 1 JIBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCn1nc(C)c([N+](=O)[O-])c1C 587390004 OVASSTCXGGXZEY-FQEVSTJZSA-N 452.467 4.050 5 1 JIBF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587434437 VJMBTEOHGVSMHR-QRQCRPRQSA-N 451.435 4.017 5 1 JIBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(OC)n1 587860602 YWNOFPLUWFJIRD-SNVBAGLBSA-N 454.270 4.270 5 1 JIBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 767009 CMQOWYOXXLMLMY-ZCYQVOJMSA-N 493.491 4.202 5 1 JIBF CNC(=O)Oc1ccc2c(c1)CN(CCCOc1ccc3c(=O)c4ccccc4oc3c1)CC2 13864715 GUFZMXQAUJGGTP-UHFFFAOYSA-N 458.514 4.492 5 1 JIBF O=C1C[C@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 26494303 WRIPAXVLFJYSSP-MZYLBHOOSA-N 482.334 4.452 5 1 JIBF COC(=O)C[C@@]1(Cc2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342327 NAWDTUCJPPXMFH-UKILVPOCSA-N 465.433 4.343 5 1 JIBF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21 587575047 HUTALYKPMPFRAY-KCWPFWIISA-N 481.416 4.456 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 587752611 SFUSBBUCYDGKEN-ODXCJYRJSA-N 461.291 4.353 5 1 JIBF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1O 1857628318 ZDARPBSKZVRIIY-VWLOTQADSA-N 480.473 4.403 5 1 JIBF CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723521 PQNGUBRSSYTJHP-UNMCSNQZSA-N 481.461 4.258 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cnc2[nH]1 587056688 SYHTXJHYPQVKBU-AWEZNQCLSA-N 452.696 4.409 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1 587579420 ZSPWYODXQRUOCO-OZXSUGGESA-N 476.485 4.212 5 1 JIBF COCCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148094 VRNMRXBJJHOVHP-UHFFFAOYSA-N 469.929 4.126 5 1 JIBF CC(=O)N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 586986458 XSRJYRYXUSBDKO-CYBMUJFWSA-N 482.132 4.416 5 1 JIBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 963226258 DOSUCHQSNLBKSZ-UKILVPOCSA-N 455.470 4.410 5 1 JIBF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767217 JXYUSLLNWJOSFE-NGYIFUPDSA-N 479.920 4.060 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586953530 PIHRYHUCAJFBBZ-UHFFFAOYSA-N 480.325 4.158 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN1CCCC1 4212012 KWVBRORTAGNJBQ-BJKOFHAPSA-N 490.601 4.228 5 1 JIBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 141544790 XHEATHCDTLUVIM-VDKIKQQVSA-N 491.544 4.034 5 1 JIBF O=C(O)c1cc2[nH]c([C@@H](O)C3CCOCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586913170 IXNUKIJBKMPKEI-VWLOTQADSA-N 486.480 4.305 5 1 JIBF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587511580 QLQSZQUONPJSRN-ZUOKHONESA-N 455.463 4.431 5 1 JIBF CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587746446 JZJCDMVLJBJHFP-ODXCJYRJSA-N 451.292 4.227 5 1 JIBF O=C(CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)Nc1ncc([N+](=O)[O-])s1 653891178 UVWAVCSQUMEPTE-NRFANRHFSA-N 471.970 4.050 5 1 JIBF CCC(CC)Nc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 13878943 CYOKRZDLGMGUDT-IBGZPJMESA-N 491.386 4.233 5 3 JIBF COCCNC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 82135929 AIJNIQMAIBOCFD-UHFFFAOYSA-N 475.427 4.059 5 1 JIBF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 104103992 VKQIJLYJNBYKHA-PEBXRYMYSA-N 484.505 4.490 5 1 JIBF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587573724 COWKIKIRICBPQB-QPTLAOIZSA-N 495.440 4.254 5 1 JIBF C[C@H](n1cnc(Sc2ncccc2[N+](=O)[O-])n1)[C@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963099664 ATHZBZUEJTYADP-KHJUTWJGSA-N 454.531 4.369 5 1 JIBF Cc1c2c(c3oc4oc5c6c(c(O)cc5c4c(=O)c3c1O)OC(C)(C)[C@H](O)[C@H]6O)C=CC(C)(C)O2 14823712 BAVSLOUVTXDGGF-FDDCHVKYSA-N 480.469 4.162 5 1 JIBF biogenic COCCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 82160135 AROWXMYALXEJAF-UHFFFAOYSA-N 489.454 4.449 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 586941208 RIOCHYQDDBHIBV-UHFFFAOYSA-N 478.499 4.283 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 586941473 UEPSIICVJHFBCT-UHFFFAOYSA-N 484.559 4.251 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)nn2)c1 587268917 DOLZHCVTTAXEGB-UHFFFAOYSA-N 469.177 4.380 5 1 JIBF O=c1c2ccccc2n(C[C@@H](O)CN2CCC(N3CCCCC3)CC2)c2c(Cl)cccc12 49816732 KLZARWZGTAVTKX-FQEVSTJZSA-N 454.014 4.119 5 1 JIBF CC(C)N1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1 96939896 MRYIXDMUJARPCG-UHFFFAOYSA-N 482.493 4.056 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)nn2)c1 587270738 ZURDICCKVQXZQU-UHFFFAOYSA-N 469.177 4.380 5 1 JIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)O2 587388417 BETFVZFQDVEEGS-RUZDIDTESA-N 461.474 4.159 5 1 JIBF COCCCNC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 82134814 NDOMHIAPGKZMOV-UHFFFAOYSA-N 489.454 4.449 5 1 JIBF O=[N+]([O-])c1ccc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)nc1O 1772655145 IUYUYRQLDOGJGS-UHFFFAOYSA-N 487.307 4.169 5 1 JIBF CCOC(=O)c1c(OCc2ccc3c(-c4nnn[nH]4)cc4ccccc4c(=O)c3c2)cc(C)nc1C 13742171 UOBIGGUJOJQKKI-UHFFFAOYSA-N 481.512 4.301 5 1 JIBF O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@H](c1ccc([N+](=O)[O-])cc1)C1CCCCC1 28818772 UJRTUUXAXARWOT-SANMLTNESA-N 478.593 4.394 5 1 JIBF CC(=O)N1N=C(c2cc3cc(Br)ccc3oc2=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 98083066 PYLFGTRYXOIGSC-GOSISDBHSA-N 456.252 4.161 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 587753382 VNMHGUGPNZJFIU-MPBGBICISA-N 461.291 4.353 5 1 JIBF O=[N+]([O-])c1ccccc1CN1CCC(n2cc(Cc3ccc(Br)cc3)nn2)CC1 1857540393 SALIYFVQASDPKA-UHFFFAOYSA-N 456.344 4.377 5 1 JIBF CCO/C(O)=C1\C(C)=NC(=S)N(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 26578075 IDBHHAZJRAVAIA-AZZGVMCLSA-N 455.492 4.352 5 1 JIBF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1cc(F)cc([N+](=O)[O-])c1 963074030 OINIFCLMSWGJRI-SXWKCWPCSA-N 499.495 4.302 5 1 JIBF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C 104108334 VUOJHSHIVWBYAP-BJWLPLICSA-N 451.435 4.204 5 1 JIBF COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 587388922 HUZQGZUXZDWMRN-RUZDIDTESA-N 462.458 4.246 5 1 JIBF CCOc1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 653787766 VWNGYSAFZTYHTK-JOCHJYFZSA-N 453.455 4.064 5 1 JIBF Cc1ccccc1-c1cc(C(=O)NCc2ccco2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 61959439 PYUVAVVCXGUAEE-NRFANRHFSA-N 485.500 4.483 5 3 JIBF O=[N+]([O-])c1cc([C@@H](NCc2ccccc2)[P@](=O)(O)Cc2ccccc2)c2nc(O)c(O)nc2c1 13440535 QYCNPBCEFWOVKA-QHCPKHFHSA-N 480.417 4.208 5 1 JIBF COc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 73312077 KDPHBLJQLLWQSD-UHFFFAOYSA-N 491.552 4.174 5 1 JIBF CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3s2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 43121820 HURHXZDLKDAVCF-UHFFFAOYSA-N 467.526 4.097 5 1 JIBF O=C(CCCCCn1cc(C(=O)Nc2nc3ccccc3s2)c(=O)c2cc(F)ccc21)NO 138878285 NXPPBSCLWJCJKL-UHFFFAOYSA-N 468.510 4.068 5 1 JIBF CC(=O)c1ccc2c(c1)[C@@](C)(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962619908 HPUGZRABCWJALO-GBXCKJPGSA-N 499.476 4.216 5 1 JIBF CN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2NC(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 1772580096 YEDLGSGWZKSCHJ-UHFFFAOYSA-N 479.468 4.313 5 1 JIBF Cn1cnnc1Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587614843 VKTUFOZYQADCCU-KNQAVFIVSA-N 476.470 4.283 5 1 JIBF CC[C@@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 587666569 DIKOENXFYLSULB-NRFANRHFSA-N 490.520 4.012 5 1 JIBF CC[C@@H]1Oc2c(ccc3c(=O)c4c(O)cc(O)cc4oc23)O[C@H]1c1cc(OC)c(O)c(OC)c1 2356558943 RFKZLHGGNRZIBK-WNSKOXEYSA-N 466.442 4.371 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 13878895 UDOXRFYLEIYVNO-DEOSSOPVSA-N 483.528 4.031 5 3 JIBF Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc([N+](=O)[O-])c2)cc1F 103222406 RCYQCPXNUAUYDB-HXUWFJFHSA-N 471.514 4.115 5 1 JIBF N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F 587143087 VRZPWHQOBAMZCU-NSHDSACASA-N 458.085 4.378 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)nn2)c1 587269292 KHSYQHGTBHCQPX-UHFFFAOYSA-N 495.908 4.173 5 1 JIBF C[C@H](n1cnc(Sc2ncccc2[N+](=O)[O-])n1)[C@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963099660 ATHZBZUEJTYADP-GZWGPKMKSA-N 454.531 4.369 5 1 JIBF O=C(CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 1857608290 LRIYYEGIQBBNRJ-UHFFFAOYSA-N 487.532 4.143 5 1 JIBF COc1cc(Br)c([C@@H](N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC 586975219 JWTBFMXNYJBGIU-CYBMUJFWSA-N 486.120 4.061 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)ncc2[nH]1 587057394 WDORQSWOYJHXOM-HNNXBMFYSA-N 452.696 4.409 5 1 JIBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 587407637 BBRDCCVIOSSQKO-QFIPXVFZSA-N 498.513 4.277 5 1 JIBF Nc1ccc2c(c1)oc1c(N3CCC(N4CCCCC4)CC3)c(F)cc3c(=O)c(C(=O)O)cn2c13 1772616697 HHDZCZBZRYJKST-UHFFFAOYSA-N 478.524 4.073 5 1 JIBF CCOC(=O)c1ccc(OCCCCCCSc2ncc([N+](=O)[O-])n2C)c([N+](=O)[O-])c1 169347001 YMQCWKXXUWRTFN-UHFFFAOYSA-N 452.489 4.145 5 1 JIBF Cc1oc(-c2nc3cc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)ccc3[nH]2)cc1[N+](=O)[O-] 587268513 BEIXTUYBDFURTM-UHFFFAOYSA-N 488.548 4.082 5 1 JIBF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1 653793622 ANSWUIBOAMGTKA-JOCHJYFZSA-N 495.923 4.308 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(OC(F)(F)F)c3)nc1)C2 66167167 HOMQQXXWOYAXBR-ZDUSSCGKSA-N 470.791 4.383 5 1 JIBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCOc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 78972986 KGGBFBDAZHLTNB-JTHBVZDNSA-N 466.490 4.228 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 586941128 ODSOFPZJTIEJFI-UHFFFAOYSA-N 480.877 4.344 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 587747904 QWNFJXWCJMGMDX-BIBXISHDSA-N 467.291 4.364 5 1 JIBF COc1ccc2c(c1OC)C[N@+]1(CCCCCC(=O)O)CCc3cc4c(cc3[C@H]1C2)OCO4 1857558932 HHUNSMJXLZOMGF-ZBLYBZFDSA-O 454.543 4.248 5 1 JIBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCOc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 78972976 KGGBFBDAZHLTNB-FYYLOGMGSA-N 466.490 4.228 5 1 JIBF O=[N+]([O-])c1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5o4)CC3)o2)cc1 103180142 FJSAJQDBUQOYTC-UHFFFAOYSA-N 466.523 4.090 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 587753384 VNMHGUGPNZJFIU-YUNKPMOVSA-N 461.291 4.353 5 1 JIBF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 775115 ZCVSOIKAHIVELQ-GUYCJALGSA-N 487.484 4.210 5 1 JIBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586946877 UJRHPRHSGXPVFG-INIZCTEOSA-N 473.558 4.092 5 1 JIBF Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cccc([N+](=O)[O-])c23)c2ccccc21 587648270 AWIJOPFDOKYODY-UHFFFAOYSA-N 452.470 4.235 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(O)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 587664744 HXTHLORJSWPUCF-UHFFFAOYSA-N 488.500 4.112 5 1 JIBF CC[S@@](=O)c1ccc(Nc2ncnc(N3CCC(c4nc(C(C)C)no4)CC3)c2[N+](=O)[O-])cc1 40874083 LRRVBSWONIPJOF-UMSFTDKQSA-N 485.570 4.146 5 1 JIBF COc1cc(CCNC[C@H](O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)cc(OC)c1OC 45167206 DJLQSABZBOCZTJ-QFIPXVFZSA-N 482.533 4.065 5 1 JIBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1 82082144 UUIAWJNICMXPTA-FQEVSTJZSA-N 456.568 4.479 5 1 JIBF CCC[N@+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2cccc(OC)c2C1 253851621 JKDNPVDWERGGAV-KCWXNJEJSA-N 457.635 4.345 5 1 JIBF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1OC 586948684 KNEGOETZASOQIE-UHFFFAOYSA-N 468.491 4.265 5 1 JIBF CC(C)Oc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br 587263492 AMKDAWNIKVJZQW-YPMLDQLKSA-N 494.302 4.463 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214121 VSYHBIIJQAWIGQ-VEHDBQEHSA-N 477.558 4.046 5 1 JIBF CCOC(=O)[C@@H](C)[C@@]1(C)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963014726 JSKVSGDLACHWRU-YBWNPWGMSA-N 483.568 4.249 5 1 JIBF COCCCNC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 82147772 FQSCOQOGDANYNN-UHFFFAOYSA-N 489.454 4.449 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 587668065 XYXJNWBVHXDOBQ-UHFFFAOYSA-N 488.500 4.243 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 587843545 ISJZCVVJDAJUPC-MLCYQJTMSA-N 478.347 4.400 5 1 JIBF COc1ccc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)o2)cc1[N+](=O)[O-] 962627608 HCKTVJQNPPQDQH-MGPUTAFESA-N 478.379 4.450 5 1 JIBF CS(=O)(=O)c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc([N+](=O)[O-])c1Cl 586928164 YLEBKUAPHOQFOI-UHFFFAOYSA-N 453.867 4.291 5 1 JIBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962771049 URYPIECGDRWYAO-IFMALSPDSA-N 459.399 4.254 5 1 JIBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccncc3)[C@H]1C2 73140201 VTGYCLNFOBFNOU-CVDCTZTESA-N 459.462 4.172 5 1 JIBF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586956903 YZGZKLTYIHWPFK-UHFFFAOYSA-N 464.503 4.207 5 1 JIBF CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3s2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 43122490 OYWSFIGNRMNYBZ-LBPRGKRZSA-N 485.516 4.283 5 1 JIBF CCOC(=O)C1=C(COC(=O)c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169723439 OKCUJCHXFIGAPX-VXKWHMMOSA-N 494.500 4.006 5 1 JIBF COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 586949142 REONMQKJWBZFNK-UHFFFAOYSA-N 466.475 4.034 5 1 JIBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] 587471806 VIFHCVWVLVEABW-SANMLTNESA-N 473.437 4.405 5 1 JIBF Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587512355 NBSCGEUGKLLJKS-HHHXNRCGSA-N 484.464 4.207 5 1 JIBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCOc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 78972990 KGGBFBDAZHLTNB-GMAHTHKFSA-N 466.490 4.228 5 1 JIBF COc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134956 QDTFHGZKRQAEHG-UHFFFAOYSA-N 463.538 4.443 5 1 JIBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](NC(C)=O)[C@@H]1CCCN1C3 73310967 CLRSFVJSKWSRET-RXFWQSSRSA-N 450.535 4.183 5 1 JIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 587869001 ZSXGIRNMQYLTFC-LBPRGKRZSA-N 450.373 4.297 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587865547 BCSUZASCEBXFTP-UHFFFAOYSA-N 475.383 4.402 5 1 JIBF CSN1C(=O)C[C@@H]1N(OCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 653746700 PJISELLHKJOEJS-MRXNPFEDSA-N 455.414 4.024 5 1 JIBF C[C@]1(c2ccccc2[N+](=O)[O-])c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963416129 MXSHATJXHGSECY-NVQXNPDNSA-N 455.470 4.491 5 1 JIBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576392 OFVBMUPFFDCYDU-SQJMNOBHSA-N 462.458 4.087 5 1 JIBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748885 BHKUWEXYWXXDMV-ZSEKCTLFSA-N 464.335 4.312 5 1 JIBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC[C@H]4COC(C)(C)O4)ccc3n(C)c12 26270926 VJKOLLMFMKGPPQ-IBGZPJMESA-N 490.604 4.010 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135211 NMBRZFARAVPRFE-UHFFFAOYSA-N 485.585 4.312 5 1 JIBF COc1cccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)c1 103247817 PXEOHQYWEWFGEP-UHFFFAOYSA-N 450.546 4.300 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587053482 FNQKJUJXGCMLNS-NRFANRHFSA-N 471.945 4.084 5 1 JIBF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cc(F)cc([N+](=O)[O-])c5)[nH]c4c3)cc2)CC1 587160095 GKOHULQZASXIMZ-UHFFFAOYSA-N 488.523 4.277 5 1 JIBF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCn1cc([N+](=O)[O-])cn1 587748920 BPGBFUZEOAOOSB-QKVFXAPYSA-N 491.317 4.362 5 1 JIBF CCN(CC)c1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(=O)c3ccccc23)c(O)c1 587667684 PYPGWOBWOOMTLS-UHFFFAOYSA-N 470.489 4.389 5 1 JIBF C[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275852 HCDKJRPKUVVTDS-NSHDSACASA-N 480.428 4.097 5 1 JIBF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3c(Br)cccc3[N+](=O)[O-])N12 962666332 MYPRXSCHCLSECP-WIYYLYMNSA-N 456.296 4.094 5 1 JIBF COC(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2[N+](=O)[O-])c(OC)c1 962904949 OIHFKFBNSASEGM-FDDCHVKYSA-N 496.447 4.010 5 1 JIBF COc1cc(CCNC[C@@H](O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)cc(OC)c1OC 45167208 DJLQSABZBOCZTJ-JOCHJYFZSA-N 482.533 4.065 5 1 JIBF Cc1ccnc([C@]2(c3cccc([N+](=O)[O-])c3)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962666203 MJBGHLVWCVYZSH-SVBPBHIXSA-N 468.513 4.237 5 1 JIBF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4153415 XSJWAENJUJHBMW-GUBFDYSESA-N 487.940 4.158 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215210 PTXHRWYEJMRQHI-MUDRNCSBSA-N 479.574 4.149 5 1 JIBF CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3c(O)cccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 14714963 YVTHZQUVPBXOSO-RYNPMXEVSA-N 482.540 4.060 5 1 JIBF biogenic NS(=O)(=O)c1cc([N+](=O)[O-])c(N(CC2CCCCC2)CC2CCCCC2)c([N+](=O)[O-])c1 58576032 YEOUISMCFMPIGL-UHFFFAOYSA-N 454.549 4.117 5 1 JIBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1=O 4214944 AECDNBKPCUPOEM-FGZHOGPDSA-N 478.977 4.391 5 1 JIBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OCCCCC(=O)O)ccc3n(C)c12 26270909 AHRCTBROLPTJBX-UHFFFAOYSA-N 476.577 4.113 5 1 JIBF O=C(Nc1nc(Nc2ccc(C(=O)O)cc2)c2cc([N+](=O)[O-])ccc2n1)NC1CCCCC1 71329325 BLTSONYHXPTAAX-UHFFFAOYSA-N 450.455 4.434 5 1 JIBF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21 587575049 HUTALYKPMPFRAY-WNCULLNHSA-N 481.416 4.456 5 1 JIBF O=C(COc1ccc(F)cc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656428 ZZTVKQVGPXCVPT-UHFFFAOYSA-N 455.348 4.108 5 1 JIBF COc1cc(-c2ccc3c(c2)Nc2c(cccc2OCCN2CCOCC2)NC3=O)ccc1[N+](=O)[O-] 71788612 FNAOLRABVJJTRC-UHFFFAOYSA-N 490.516 4.291 5 1 JIBF in-vitro CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 82081917 KBNPDSXATLNRQQ-FQEVSTJZSA-N 456.568 4.479 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102580334 KYKZJOSAKACDDO-NBJYBMASSA-N 470.957 4.124 5 1 JIBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(OC)n1 587860601 YWNOFPLUWFJIRD-JTQLQIEISA-N 454.270 4.270 5 1 JIBF COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2[N+](=O)[O-])c(OC)c1 962904957 OIHFKFBNSASEGM-MBSDFSHPSA-N 496.447 4.010 5 1 JIBF CC(=O)c1c(OCCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc2c(C)cc(=O)oc12 1857751441 JUKJVSZUOYFQIL-UHFFFAOYSA-N 479.533 4.193 5 1 JIBF COc1cc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)ccc1[N+](=O)[O-] 587573852 DHBNHQDXCUWPCA-QFIPXVFZSA-N 462.458 4.310 5 1 JIBF COc1cc(OC)c2c(=O)cc(C(=O)Nc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1 1857757085 DMGRBZKVPRHREO-UHFFFAOYSA-N 461.430 4.498 5 1 JIBF CC1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82135729 PPOZXRBBAZXRMB-UHFFFAOYSA-N 463.513 4.400 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 587748650 AVYDIPWRVOFVFU-FKIZINRSSA-N 461.291 4.353 5 1 JIBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1cccn1Cc1ccccc1[N+](=O)[O-] 963146333 MZMKMCBRVXARJN-OALUTQOASA-N 484.534 4.237 5 1 JIBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1N 4080451 BZFQGRRVQZDGOT-DHIUTWEWSA-N 468.510 4.236 5 1 JIBF Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1 38151296 KTDSYSXUSWADOW-UHFFFAOYSA-N 455.492 4.199 5 1 JIBF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 587172828 NPMCBMHQTPPINE-CQSZACIVSA-N 476.512 4.245 5 1 JIBF CCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br 587265836 XPQBGPAESWBOPV-MLCYQJTMSA-N 494.302 4.465 5 1 JIBF O=[N+]([O-])c1ccc(-n2cc(-c3cccc(Nc4ncnc5cc6c(cc45)OCCO6)c3)nn2)cc1 1857606428 NKAVDNAOGPXWNX-UHFFFAOYSA-N 467.445 4.301 5 1 JIBF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206271 SRBBKKVDRKIEJM-LIUKBUMOSA-N 465.337 4.060 5 1 JIBF O=C(Oc1ccc(F)cc1)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+](=O)[O-])c4ccccc34)c(=O)n12 169718529 OLGCFXNPBJIGKJ-XOBRGWDASA-N 476.420 4.046 5 1 JIBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587265672 HCKJVEJRWQOJKW-ASSNKEHSSA-N 461.434 4.144 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 587579415 ZSDJHXWPXABTLE-URXFXBBRSA-N 459.414 4.236 5 1 JIBF CCOC(=O)[C@](Cc1ccccc1)(Nc1ccc(OC)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 206047381 KGGGOODFNUMBAB-ILBGXUMGSA-N 450.491 4.294 5 3 JIBF COC(=O)[C@@H]1CCCN1C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95579081 GMSIXEBBKDOFRZ-INIZCTEOSA-N 482.276 4.290 5 1 JIBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586938015 TYRGMGYIVNEAFT-ZDUSSCGKSA-N 485.385 4.006 5 1 JIBF Cc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 40411922 XOKNCSICAANHSO-UHFFFAOYSA-N 489.509 4.148 5 1 JIBF O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 253633293 IQBJCVXYFIDHQY-WGSAOQKQSA-N 468.579 4.018 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586948445 IJQOBMPJOZWUDQ-UHFFFAOYSA-N 453.436 4.156 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)nn2)c1 587268894 CQYARXSWNJDUIZ-UHFFFAOYSA-N 464.077 4.244 5 1 JIBF N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587183643 FSSABEDEKRMTCB-LLVKDONJSA-N 487.095 4.081 5 1 JIBF COc1ccc(-n2cccc2[C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c([N+](=O)[O-])c1 962698635 NKBWMJPRSCDQGT-JXFKEZNVSA-N 479.386 4.240 5 1 JIBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCC[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-] 13553376 YKANMRHOEMPXDO-KZFRKFNSSA-N 461.559 4.312 5 1 JIBF O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085086 BBLBDRPUASDXKK-FQEVSTJZSA-N 454.552 4.330 5 1 JIBF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1ccnc1[N+](=O)[O-] 299829663 HVFMZQWDMHJYLI-UHFFFAOYSA-N 458.837 4.358 5 1 JIBF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 586999511 DORVILOBBXCJQB-UHFFFAOYSA-N 481.056 4.475 5 1 JIBF O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 40915688 XRBAANKNSRDGQL-UHFFFAOYSA-N 469.973 4.193 5 1 JIBF O=C(Cc1ccccc1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 1857547782 IBSJVRKAUPRSTR-QHCPKHFHSA-N 460.559 4.420 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)n2c(Cl)nc3cc(Br)c(Br)cc32)cc1 1857638558 XVGSGFQWZGJBDI-UHFFFAOYSA-N 495.536 4.360 5 1 JIBF O=C([C@H]1CCCCN1Cc1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66148717 FZECPIBQWJVZLT-AREMUKBSSA-N 458.562 4.451 5 1 JIBF CC1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82149907 UQDHSSAYVLLIJC-UHFFFAOYSA-N 463.513 4.400 5 1 JIBF O=C(Nc1nc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1)c1cccc(O)c1 587019217 HWCDXEKQQSJQMG-UHFFFAOYSA-N 474.296 4.239 5 1 JIBF Oc1nc(O)c(I)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)n1 587183435 YNJWKGZWBJKETA-UHFFFAOYSA-N 454.227 4.342 5 1 JIBF COC(=O)c1cc([C@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 963863107 OIEOCLLRNNRWAQ-GCJKJVERSA-N 484.505 4.416 5 1 JIBF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586935891 JOWVEVFIULXIMQ-GOSISDBHSA-N 463.588 4.432 5 1 JIBF Cc1ccc(C)c(COc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2N(C)S(C)(=O)=O)c1 73222369 BRLNDGOTGQYIFW-UHFFFAOYSA-N 483.546 4.439 5 1 JIBF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586945352 DQCZNIHFKJPQKZ-UHFFFAOYSA-N 461.528 4.459 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 587744650 FANQGKIPHSCYMO-WHEQGISXSA-N 478.362 4.329 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 253977458 KYKZJOSAKACDDO-LRGYGIHKSA-N 470.957 4.124 5 3 JIBF COc1ccc2c(c1OC)[C@@](CCC1OCCCO1)(c1ccc([N+](=O)[O-])cc1)N(C)[C@H](C)C2 962566777 IYMHQIRPGQPNQB-CRICUBBOSA-N 456.539 4.275 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](c2cccn2Cc2ccccc2[N+](=O)[O-])c2scnc2C[C@@H]1C(=O)O 963146330 MZMKMCBRVXARJN-MOPGFXCFSA-N 484.534 4.237 5 1 JIBF COc1cccc(Cn2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(Cc3ccc4c(c3)OCO4)c2=O)c1 28764216 OWAYUCFFCRXHKY-UHFFFAOYSA-N 459.458 4.128 5 1 JIBF O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)OCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 73198635 LUZXTSQOFASCJX-INIZCTEOSA-N 478.383 4.044 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(Br)ccnc2[nH]1 586949171 SPMKLIKBKZUQIO-UHFFFAOYSA-N 488.323 4.405 5 1 JIBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC 2483479 HJXRVWHKRPFMQF-UHFFFAOYSA-N 469.494 4.373 5 1 JIBF CCCCCCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(CCCCCC)S1(=O)=O 66251707 NYOFDDSZSZOEEB-UHFFFAOYSA-N 465.572 4.054 5 1 JIBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)nc1C(F)(F)F 587118903 RMQUARPQEZMYIJ-UHFFFAOYSA-N 486.454 4.234 5 1 JIBF CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163872 FRDUWDZKZAHDRT-UHFFFAOYSA-N 458.478 4.230 5 1 JIBF COc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1 586996825 ZSYHPKKDQSMPMN-UHFFFAOYSA-N 498.293 4.322 5 1 JIBF Cc1onc(-c2nc3cc(F)c(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080721 XVNLGBPZJDUXNT-UHFFFAOYSA-N 455.631 4.234 5 1 JIBF COC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587577635 TYJOIAGWOAOTQM-CVDCTZTESA-N 450.403 4.356 5 1 JIBF COc1ccc([N+](=O)[O-])c([C@@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)n1 963916156 SBDXRSXYDWPPJS-VFNWGFHPSA-N 457.483 4.033 5 1 JIBF Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767948 AKGOYWCYCCJDBM-RBBKRZOGSA-N 450.882 4.239 5 1 JIBF O=C1C[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 13521551 JVSFLIHZBUUABK-WWNPGLIZSA-N 482.334 4.452 5 1 JIBF CN[C@H]1C[C@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 100833864 JZLFYMHIISZQCZ-GKHVWRADSA-N 482.540 4.060 5 1 JIBF COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 105175231 RUSLOBPTXFKFNW-JKMAKKBCSA-N 467.570 4.301 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNC(=O)OC(C)(C)C)c(C)c2c1 587621753 ZDJBFVHNQQJHRM-UHFFFAOYSA-N 490.538 4.219 5 1 JIBF COc1ccc(C(=O)c2[nH]c3ccccc3c2Nc2nc(N3CCSCC3)ncc2[N+](=O)[O-])cc1 1772592643 QDSNIOSKJACXGL-UHFFFAOYSA-N 490.545 4.403 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214123 VSYHBIIJQAWIGQ-FERXELFHSA-N 477.558 4.046 5 1 JIBF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055638 GOBLFGOWZKGYDW-PKOBYXMFSA-N 452.294 4.146 5 1 JIBF Cn1c(=O)c([C@H](c2ccc([N+](=O)[O-])cc2)c2c(O)c3ccccc3n(C)c2=O)cc2ccccc21 102957839 YGWMJNLZUQMRMY-QHCPKHFHSA-N 467.481 4.184 5 1 JIBF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=S)Nc3cccc([N+](=O)[O-])c3)CC1)C2 103277309 BLEOEGMIKLUXCV-QGZVFWFLSA-N 469.563 4.466 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Br)nc2[nH]1 586948086 DKWAMVODRZJUBK-UHFFFAOYSA-N 488.323 4.405 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 587667164 IBFAOOSWVOVZQP-UHFFFAOYSA-N 458.474 4.212 5 1 JIBF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434791 ZRRWDAAGSCJBNQ-RBISFHTESA-N 485.540 4.414 5 1 JIBF O=C1CN(c2cc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CCN1CC1CCCCC1 1857600619 WOIQANRGBDJRHG-UHFFFAOYSA-N 469.485 4.417 5 1 JIBF O=[N+]([O-])[C@@H]1[C@H](Cc2cnc[nH]2)N[C@@]2(c3ccccc3-c3nc4ccccc4nc32)[C@@H]1c1ccccc1 1911571091 LOSDALWTUOUYIS-PAXQOXJBSA-N 474.524 4.221 5 1 JIBF Cc1ccc(Cl)cc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1 2462749 VFQHOJSVXXQZDZ-RTBURBONSA-N 467.890 4.371 5 1 JIBF CCOC(=O)c1ccccc1[C@@]1(c2ccc([N+](=O)[O-])cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963032848 VOMKTBIEWKDTDR-CBZJRKILSA-N 471.513 4.117 5 1 JIBF Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)cc1F 103222398 VKTWARNEQIWHBG-HXUWFJFHSA-N 471.514 4.115 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3cccc(Nc4ncnc5cc6c(cc45)OCO6)c3)nn2)c1 1857618430 CWBDALWHIHFIDG-UHFFFAOYSA-N 453.418 4.258 5 1 JIBF CC1CCN(C(=O)c2sc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)nc2C(F)(F)F)CC1 84690138 ADOIUCPAWXGJSR-UHFFFAOYSA-N 477.486 4.013 5 1 JIBF CO[C@@H]1[C@H](N(C)C=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 85894016 YPVWBABADFXCPH-QNGCTEGKSA-N 494.551 4.223 5 1 JIBF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1C 104108323 VUOJHSHIVWBYAP-BJUBFADDSA-N 451.435 4.204 5 1 JIBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCc1ccc(F)cc1 775519 IZBLMRNNXUNWGM-UHFFFAOYSA-N 455.442 4.388 5 1 JIBF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCCN2CCCC2)cc1 4040148 ZTTBNOMULUCCGO-LADGPHEKSA-N 499.999 4.008 5 1 JIBF COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H](N)Cc5ccccc5)c4)cc3c2cc1OC 44675807 XNXUJUXYVTYIGP-LJQANCHMSA-N 481.556 4.393 5 1 JIBF in-vitro O=C(C1CCCCC1)n1nc(-c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 96932257 WNIVGUCUMQZOLD-UHFFFAOYSA-N 494.573 4.426 5 1 JIBF Cc1cc(CC(N)=O)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)c1 29408377 NKWLLRUWWYBFPT-QGZVFWFLSA-N 498.967 4.416 5 1 JIBF Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1 40892272 YXFQOUPPZMLTFI-UHFFFAOYSA-N 465.959 4.213 5 1 JIBF CC[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 587186501 YTQFMSVXCIBERT-NSHDSACASA-N 490.099 4.343 5 1 JIBF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc([N+](=O)[O-])cn1 587754624 ZJWLRTOVLXHGMQ-LAJNKCICSA-N 475.318 4.373 5 1 JIBF O[C@@H]1C[N+]2(Cc3ccc(/C=C/c4ccc(C[N+]56CCC(CC5)[C@@H](O)C6)cc4)cc3)CCC1CC2 71341797 HGRQUYQWMOHZCS-KIJPFTKTSA-N 460.662 4.060 5 1 JIBF O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)s2)o1 73292258 GGEDBFCJQKDETB-UHFFFAOYSA-N 452.283 4.265 5 1 JIBF COc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCCCN(C)C)c3nc12 299870619 WPWPFCDQHYRSII-UHFFFAOYSA-N 473.577 4.181 5 1 JIBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCc3ccccc3)cc2[nH]1 587266632 MDWZOAQZMTWVJH-JLCFBVMHSA-N 463.450 4.492 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N3CCCC[C@H]3C)c2c1 587621651 YZTNVCJCAYVKBW-CQSZACIVSA-N 486.550 4.209 5 1 JIBF O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82081861 SOSBPFKXRXSFCT-UHFFFAOYSA-N 450.520 4.274 5 1 JIBF O=C(NCc1ccc2c(c1)OCO2)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148736 WMOIRKVSALDZRZ-UHFFFAOYSA-N 461.478 4.065 5 1 JIBF COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431428 DYXZCWUVPAUMBY-CLOONOSVSA-N 475.453 4.458 5 1 JIBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962771065 URYPIECGDRWYAO-UNMCSNQZSA-N 459.399 4.254 5 1 JIBF O=C(Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82160899 TZCIGUXDACKEGC-INIZCTEOSA-N 464.356 4.367 5 1 JIBF O=S(=O)(NCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1c(Cl)cccc1Cl 586942277 IRDFIZOYIODARY-UHFFFAOYSA-N 472.357 4.487 5 1 JIBF O=[N+]([O-])c1ccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 587263508 AVHVBHUKOAHAML-UHFFFAOYSA-N 456.050 4.495 5 1 JIBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 587264682 PKQCAZXATNIPJM-UOWDBTKRSA-N 470.667 4.329 5 1 JIBF COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4049581 CMQOWYOXXLMLMY-ILBGXUMGSA-N 493.491 4.202 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@H]3CCCc4cc([N+](=O)[O-])ccc43)C(F)(F)F)cc12 101509259 VUBJMTZAKOQLNY-JLCFBVMHSA-N 491.422 4.147 5 1 JIBF Cc1onc(-c2nc3c(F)cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079077 GPMZIEWAROXGES-UHFFFAOYSA-N 455.631 4.234 5 1 JIBF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]21 1857614004 AXLDLBLLMYCFFE-LEDOBFOHSA-N 485.433 4.212 5 1 JIBF CSCC[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NC[C@H]1CCCO1 82195820 GSYJZKHIOPEIOO-HIFRSBDPSA-N 471.004 4.201 5 1 JIBF O=C(c1ccccc1Cl)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 210459406 OXWKEVFQFCKVCT-UHFFFAOYSA-N 498.870 4.199 5 1 JIBF O=[N+]([O-])c1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1[N+](=O)[O-] 587170254 MDDYLLJZRKKBGA-UHFFFAOYSA-N 463.428 4.048 5 1 JIBF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587129649 YOAKARFCENNNGZ-UHFFFAOYSA-N 463.423 4.083 5 1 JIBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336814 AUYVAQYEOYFZMY-ISKFKSNPSA-N 451.406 4.257 5 1 JIBF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587511510 QLQSZQUONPJSRN-RBZFPXEDSA-N 455.463 4.431 5 1 JIBF C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968644 PPHPUMGWUUJZER-LJEKWUKDSA-N 489.258 4.133 5 1 JIBF O=C(NCc1ccc2c(c1)CCN(Cc1cccc(F)c1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857768901 MATOUUUTVNKKFQ-UHFFFAOYSA-N 464.453 4.130 5 1 JIBF O=C(NCc1ccco1)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 82081667 JYMZDDGPZSREHY-UHFFFAOYSA-N 462.487 4.171 5 1 JIBF CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)c(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-] 84690548 YEVSHPJPZMOPOG-UHFFFAOYSA-N 471.560 4.415 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)N3CCCCCC3)c2c1 587620715 FLFKMVXFIPFWFM-UHFFFAOYSA-N 486.550 4.210 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 587863387 YZFJJLUIHJJELJ-UHFFFAOYSA-N 471.395 4.419 5 1 JIBF COc1cc([C@@H]2NCCc3c2sc(C)c3C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 963014308 USMSVKZRMHQQQA-NRFANRHFSA-N 474.560 4.285 5 1 JIBF NC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCN(C(=O)Nc1ccccc1Cl)C2 1857569884 UZFQSNUMRHRYSB-UHFFFAOYSA-N 499.936 4.251 5 1 JIBF O=C(c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 82147646 VQKCFVBQTGWAKO-UHFFFAOYSA-N 487.438 4.155 5 1 JIBF COCCOc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] 587266009 TUOBGNIMZBEGPR-UHFFFAOYSA-N 472.093 4.083 5 1 JIBF CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963191260 STPSXWYDXLWMGE-RUZDIDTESA-N 451.523 4.398 5 1 JIBF Cc1nc2c(-c3ccc(Cl)cc3)nc3ccc(Br)cc3c2c(=O)n1CC(=O)O 1857749105 IVIGQRMKKAJXSB-UHFFFAOYSA-N 458.699 4.421 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 15936214 CQFXTIDLYAJFGG-HSZRJFAPSA-N 460.534 4.378 5 3 JIBF CC(=O)N1CCN(c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82219619 DFPHDKMGACYFKX-UHFFFAOYSA-N 484.516 4.351 5 1 JIBF CC[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 587185258 IZZDMTSDJYZUGO-NSHDSACASA-N 490.099 4.343 5 1 JIBF COC(=O)c1c(C2CC(F)(F)C2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620749 ZVWHJLSXAOKOBR-UHFFFAOYSA-N 495.460 4.185 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(OC(F)(F)F)c3)cn1)C2 66259508 GFPNXLLLSBTTKX-AWEZNQCLSA-N 470.791 4.383 5 1 JIBF Cc1c(-c2nc3cc(I)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980457 ZWHSEELDPFGSNF-UHFFFAOYSA-N 459.041 4.209 5 1 JIBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)nc1C(F)(F)F 587118464 NGTXJKTUGGFYSR-UHFFFAOYSA-N 457.294 4.211 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3(C)CC3)c(C(=O)C(F)F)c2c1 587619189 BUVRVCCBJBQOMD-UHFFFAOYSA-N 479.461 4.385 5 1 JIBF COc1ccc2c(c1OC)[C@@](CCC1OCCCO1)(c1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C)C2 962566788 IYMHQIRPGQPNQB-SSOJOUAXSA-N 456.539 4.275 5 1 JIBF O=C(NCCCCc1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 103765536 UZSJSDASZRZPIR-LITSAYRRSA-N 498.583 4.339 5 3 JIBF CSc1ccc(S(=O)(=O)NCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1[N+](=O)[O-] 586940826 HDLLFJRYEBRSCN-UHFFFAOYSA-N 484.559 4.251 5 1 JIBF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1F 586949146 RJXZYHNZRUMWCS-UHFFFAOYSA-N 456.455 4.395 5 1 JIBF O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)n1ncc2ccc(Cl)cc2c1=O 587651426 SSKVNRPVDLKKDG-UHFFFAOYSA-N 460.229 4.472 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 587841439 AYCHOLJUBWXBST-MGNBDDOMSA-N 478.347 4.400 5 1 JIBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774645 VLGRYAYBOQFZST-MLGOLLRUSA-N 487.896 4.436 5 1 JIBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)c4cccnc4)ccc3n(C)c12 26277591 ITINPRIVPMWHGG-UHFFFAOYSA-N 481.556 4.094 5 1 JIBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587434682 YJNASLWMCKLHTI-CYFREDJKSA-N 495.532 4.149 5 1 JIBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4295014 IOGSYPLUTNJWOF-MISYRCLQSA-N 464.950 4.047 5 1 JIBF Cc1nn(Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c(C)c1[N+](=O)[O-] 587577685 UERRUIFTWIUTDN-YKSBVNFPSA-N 461.430 4.458 5 1 JIBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 587409947 OKQOFNXHYSKGLJ-OAQYLSRUSA-N 498.513 4.277 5 1 JIBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579077 YFFJUPJWDJKSNA-RCZVLFRGSA-N 463.442 4.197 5 1 JIBF O=C(O[C@@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857543946 VDIVMUYGUBLIHS-DLPZQXBVSA-N 458.578 4.154 5 1 JIBF O=C1c2ccccc2[C@@](OCC2(CO)CC2)(c2ccc(F)cc2)N1Cc1ccc([N+](=O)[O-])cc1 142713793 IMSAUDJGAFQJKH-SANMLTNESA-N 462.477 4.380 5 1 JIBF Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336779 AOQWMHZFXJMUMP-WIOPSUGQSA-N 459.433 4.476 5 1 JIBF CCOC(=O)C(C)(C)N(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8690912 AQVPICIQVRNFNH-UHFFFAOYSA-N 454.932 4.089 5 3 JIBF Cc1c([C@H](c2ccccc2[N+](=O)[O-])c2c(O)oc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 103949601 XNYTVFDXIYYSCM-QHCPKHFHSA-N 483.480 4.385 5 1 JIBF Cc1ccnc([C@@]2(c3cccc([N+](=O)[O-])c3)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c1 962666200 MJBGHLVWCVYZSH-RRPNLBNLSA-N 468.513 4.237 5 1 JIBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1 963226254 DOSUCHQSNLBKSZ-NOZRDPDXSA-N 455.470 4.410 5 1 JIBF O=C1NC(=O)c2c1c1c3ccc(C(F)(F)F)cc3[nH]c1c1c2c2cccc3c2n1C[C@H](CO)C3 14945606 MNRDIPITARDCSE-SNVBAGLBSA-N 463.415 4.496 5 1 JIBF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4054064 ZZNTXGYNEHSROP-XJUOHMSHSA-N 465.893 4.190 5 1 JIBF O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82080931 NDPJFKISBLIQJX-LJQANCHMSA-N 464.547 4.072 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82135354 JFNXVFJXYRUIOT-PMACEKPBSA-N 499.612 4.049 5 1 JIBF CCCc1c(O)ccc2c1O[C@@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1[N+](=O)[O-])CC2=O 587473133 QELBNJNMCGLTEK-MHZLTWQESA-N 486.480 4.410 5 1 JIBF C[C@@](O)(COc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857579984 QEBKLWWXDQXYTE-MRXNPFEDSA-N 468.306 4.281 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 586948773 NRDWATHKEFFYRZ-UHFFFAOYSA-N 495.561 4.188 5 1 JIBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587272888 BFAOAUJLIZNNFO-LBPRGKRZSA-N 494.455 4.291 5 1 JIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748446 USNKRLGIBZRFLZ-VATIQMLTSA-N 453.308 4.378 5 1 JIBF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1 963633422 HYOBDGBVLAIYRJ-CPJLOUKISA-N 482.558 4.210 5 1 JIBF CCc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2cc(OC)c(OC)c(OC)c2)nn1 1911583991 QQCIZMLYIXNZLF-UHFFFAOYSA-N 484.556 4.431 5 1 JIBF CC[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 587185257 IZZDMTSDJYZUGO-LLVKDONJSA-N 490.099 4.343 5 1 JIBF COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC 587574692 GKJYQGIWMAQHGQ-ZJSXRUAMSA-N 451.431 4.281 5 1 JIBF CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)cc1OCC 587668366 AQPVVPPYDLXFFN-INIZCTEOSA-N 491.504 4.175 5 1 JIBF Nc1c(-c2nc3ccccc3s2)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1cccc(C(=O)O)c1 1652626 RAQLQSRNYDEINT-UHFFFAOYSA-N 458.455 4.456 5 1 JIBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587274791 SQSPLZJWLJJOFG-UHFFFAOYSA-N 462.363 4.435 5 1 JIBF O=C(NCCCCc1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 59785501 AJVHLBIZFWJCAE-GGXMVOPNSA-N 498.583 4.339 5 3 JIBF aggregator CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 587092223 SKXFNVUGKRMOIS-UHFFFAOYSA-N 462.400 4.415 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 587551437 FJCGVDXWDXSHKF-GHTZIAJQSA-N 467.821 4.495 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 587748057 SACLJNSRGMWJRN-PRWKNARSSA-N 467.291 4.364 5 1 JIBF CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 169327974 ICTDYXJAQHRXCT-WRALFONMSA-N 459.458 4.115 5 1 JIBF Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc([N+](=O)[O-])cnc5[nH]4)c3n2)cnn1C 587128980 GXFHGVBCBYATBU-UHFFFAOYSA-N 479.451 4.183 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587261883 DNXZNUMGRALQGF-VIFPVBQESA-N 479.243 4.493 5 1 JIBF CCOc1c(OC(C)=O)ccc([C@H]2c3ccsc3CCN2Cc2cccn2C)c1[N+](=O)[O-] 962371989 IPZPAGSMDUDFCS-OAQYLSRUSA-N 455.536 4.467 5 1 JIBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 775114 ZCVSOIKAHIVELQ-DYVFJYSZSA-N 487.484 4.210 5 1 JIBF CC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@]1(O)CO 28475241 ONSKSKMJNHEONW-WINIVTDRSA-N 455.514 4.093 5 1 JIBF in-vivo O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](Cc2ccc([N+](=O)[O-])cc2)(c2cccnc2)N1 962694484 HLYNCLFAYAIANX-IFMALSPDSA-N 475.398 4.233 5 1 JIBF COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N+]1([O-])C3 14649164 JYCZYCGDUQUXGC-CNTXJNPSSA-N 455.507 4.060 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)N1 587752610 SFUSBBUCYDGKEN-MPBGBICISA-N 461.291 4.353 5 1 JIBF O=C1c2ccccc2[C@@]2(N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2c1cccc2[N+](=O)[O-] 962699329 IPFUGEFZFAIBLW-JPYJTQIMSA-N 486.377 4.188 5 1 JIBF CC1(C)NC(=O)N([C@@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1=O 13587505 CWFGTQRBOWQTSL-QFIPXVFZSA-N 474.517 4.367 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148757 ZJVQCNKJUNEIHW-PMACEKPBSA-N 499.612 4.049 5 1 JIBF CCOC(=O)C1CCN(c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])CC1 587430855 CCGVZHYPWLYEPL-NIYFSFCBSA-N 480.517 4.046 5 1 JIBF CCN(CC)CCc1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621206 QJNFLEVKIXCINU-UHFFFAOYSA-N 460.556 4.078 5 1 JIBF CCOc1ccc(-c2nn(C(=O)CCn3ncc([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC 587669472 NJBIDTADKGQFOR-UHFFFAOYSA-N 491.504 4.005 5 1 JIBF CCOc1cc([C@@H]2NCCc3cc4cccc(OC)c4nc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963040261 VRWMIIKNTYGWQC-QHCPKHFHSA-N 475.505 4.311 5 1 JIBF CCC[C@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)O)cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O 591967 UILRBVIPTXHVIG-CUMRGQLISA-N 494.496 4.274 5 1 JIBF in-vitro CC[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@@H]12)c1ccc(Cl)cc1 299815118 CGYCEJGQMYDKDT-OXKSBSDWSA-N 486.952 4.125 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(N)c3)c(C)c2c1 587621280 RRVJMUWNAKEVFM-UHFFFAOYSA-N 452.492 4.443 5 1 JIBF CCOP(=O)(OCC)[C@]1(c2ccccc2)N=C[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]21 1857614007 AXLDLBLLMYCFFE-XQFWAAQXSA-N 485.433 4.212 5 1 JIBF O=C1C[C@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccncc1 26503073 JPGAJGWNMXXUEW-MZYLBHOOSA-N 482.334 4.452 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(Cl)nc3Cl)c2c1 587618732 SUVBVTHDKDYRKS-UHFFFAOYSA-N 497.320 4.081 5 1 JIBF CN(C)CCOc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1 14970322 BDQGMZNFBFBBEL-UHFFFAOYSA-N 461.537 4.426 5 1 JIBF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4053486 SPWZWIPQENWXGS-ZCYQVOJMSA-N 491.500 4.029 5 1 JIBF COc1ccc2c(CN3CCC[C@H]3C(N)=O)c(Br)c3cc(OC)c(OC)cc3c2c1 103203485 HLGXONYPFZQCGJ-IBGZPJMESA-N 473.367 4.231 5 1 JIBF COc1cc(O)cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2COC(C)=O)c1 209088512 SJURZXHCGJQOET-FYYLOGMGSA-N 478.453 4.113 5 1 JIBF COc1ccccc1CCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82150018 KENNSRXZVUISKZ-UHFFFAOYSA-N 461.522 4.341 5 1 JIBF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(O)CC(C)(C)CC2=N1 104103996 VKQIJLYJNBYKHA-JLCFBVMHSA-N 484.505 4.490 5 1 JIBF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 773529 ZPWHQVHVORMEIR-GUYCJALGSA-N 487.484 4.210 5 1 JIBF O=C(O)CCCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1 71789104 WSKBRFDZDFZNSQ-UHFFFAOYSA-N 489.480 4.343 5 1 JIBF in-vitro Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)c1[N+](=O)[O-] 587264200 DCBRHNSWPFNZSM-UHFFFAOYSA-N 470.283 4.460 5 1 JIBF Cc1cc(C)nc(NS(=O)(=O)c2ccc(NN=c3c4ccccc4n(C)c4ccccc34)cc2)n1 5538214 ZCXDVCZDXCBIPR-UHFFFAOYSA-N 484.585 4.467 5 1 JIBF Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc([N+](=O)[O-])c2)cc1F 103222403 RCYQCPXNUAUYDB-FQEVSTJZSA-N 471.514 4.115 5 1 JIBF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4c5cccnc5c5ncccc5c4[nH]3)cccc12 586941065 CXSJJRNRJFFKOH-UHFFFAOYSA-N 482.569 4.357 5 1 JIBF CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H]([N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 95558594 HIOVPMQGACDEML-ZFOJZKTOSA-N 476.746 4.491 5 1 JIBF COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587744788 FQEJDIMLYYADNQ-ODXCJYRJSA-N 451.292 4.032 5 1 JIBF CCOC(=O)C1=C(C)N(c2ccccc2[N+](=O)[O-])C(C)=C(C(=O)OC)[C@@H]1c1ccc2c(c1)OCO2 96917944 QWUKZVHTUUICOM-QHCPKHFHSA-N 480.473 4.211 5 1 JIBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 586969419 KPKQTIKILQTFSP-OKILXGFUSA-N 450.524 4.320 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN1CCCC1 4212007 KWVBRORTAGNJBQ-RPWUZVMVSA-N 490.601 4.228 5 1 JIBF CCOC(=O)C1=C(C)N=C(C)N(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 26490840 BGESPNAQTXZTCW-XMMPIXPASA-N 494.548 4.476 5 1 JIBF O=C(NCc1ccco1)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 82081727 ZXUKCWRSCCJXJY-UHFFFAOYSA-N 462.487 4.171 5 1 JIBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](O)[C@@H](OC(=O)c1ccccc1)C(C)(C)O2 27527026 GIPBGWMLNRHUAB-JWQCQUIFSA-N 459.498 4.130 5 1 JIBF O=[N+]([O-])c1ccc(-n2cc(-c3cccc(Nc4ncnc5cc6c(cc45)OCO6)c3)nn2)cc1 1857602807 DKFDNKBYODVQCZ-UHFFFAOYSA-N 453.418 4.258 5 1 JIBF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206267 SRBBKKVDRKIEJM-OACQNMCBSA-N 465.337 4.060 5 1 JIBF COC(=O)c1cc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1OC 587053848 HDAWRSPGGLPMRF-SFHVURJKSA-N 460.874 4.047 5 1 JIBF COc1ccc2c(c1OC)C[N@@+]1(CCCCCC(=O)O)CCc3cc4c(cc3[C@@H]1C2)OCO4 1857558931 HHUNSMJXLZOMGF-KDYSTLNUSA-O 454.543 4.248 5 1 JIBF CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(=O)oc2c1ccc1ccccc12 1857746954 CPZOZZDGOHXMFW-NRFANRHFSA-N 481.460 4.310 5 1 JIBF Cc1ccc(Cl)cc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1 2462745 VFQHOJSVXXQZDZ-OALUTQOASA-N 467.890 4.371 5 1 JIBF CN[C@@H]1C[C@@]2(C)O[C@@H]([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 13818322 XTGJCWHCHWNXSE-WQGXBGQBSA-N 466.541 4.354 5 1 JIBF biogenic COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC1)C2 103276012 LPOQCSUDLGWENR-QGZVFWFLSA-N 469.563 4.466 5 1 JIBF O=C(Nc1ccccc1)N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 26733153 CVHOUKFODHRRLD-UHFFFAOYSA-O 453.425 4.160 5 1 JIBF O=C([C@H]1CCCCN1Cc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 84669922 AWDXTIULFGSRCC-AREMUKBSSA-N 458.562 4.451 5 1 JIBF CCN(CC)C(=O)c1cccc(CN(C(=O)CCCCCC(=O)NO)c2ccccc2OC)c1 207586542 JQAMBMDOIAWNJG-UHFFFAOYSA-N 469.582 4.166 5 1 JIBF COc1ccccc1NS(=O)(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 587263119 MVMFBUXKLQTKIH-UHFFFAOYSA-N 482.518 4.210 5 1 JIBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCn3cc([N+](=O)[O-])cn3)c(OC)c1)CC2=O 587471197 OSULBZLJLUAESS-NRFANRHFSA-N 453.451 4.201 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(Oc3ccc(OC(F)(F)F)cc3)cc1)C2 1772589435 NUOHMRGGGNRHBF-KRWDZBQOSA-N 451.357 4.460 5 1 JIBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 587407634 BBRDCCVIOSSQKO-JOCHJYFZSA-N 498.513 4.277 5 1 JIBF CCOc1ccc(-c2nn(C(=O)c3cc(N)cc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC 587669831 QBNKVAYXYBYAFZ-UHFFFAOYSA-N 474.473 4.040 5 1 JIBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 963184844 JSNIGAYYJQUKSW-DYVFJYSZSA-N 468.771 4.062 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(O)c([N+](=O)[O-])c1 587539841 KEAZAOSUIPKWSS-OXQOHEQNSA-N 458.220 4.471 5 1 JIBF CCOc1ccc(-c2nn(C(=O)CCn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC 587670156 PEYXGVVPYWVQEK-UHFFFAOYSA-N 491.504 4.005 5 1 JIBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCOc1ccccc1 2483475 PWAMOIAABBDFHP-UHFFFAOYSA-N 453.451 4.085 5 1 JIBF COC(=O)c1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c(F)c1Nc1ccccc1 586920417 PWQKAFJOJPFWKJ-UHFFFAOYSA-N 484.465 4.114 5 1 JIBF CC1=C([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)[C@@H](c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 963117201 CUNUHMAHBQSKEZ-IRLDBZIGSA-N 471.348 4.496 5 1 JIBF Cc1ccc([C@@H]2[C@H]3CSCN3[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23C(=O)Oc2ccccc23)cc1 1772657722 CURODZKUGYDRMS-LFKDDQTCSA-N 499.548 4.080 5 1 JIBF CCOC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(C)=C(C(=O)OC)[C@H]1c1ccc2c(c1)OCO2 96917950 ABLKEHZMFLWIDA-HSZRJFAPSA-N 480.473 4.211 5 1 JIBF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 586931076 UWFSCQDFSICCNO-UHFFFAOYSA-N 457.556 4.159 5 1 JIBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 587937393 QRJOHLDGKRRMDM-HNNXBMFYSA-N 481.391 4.127 5 1 JIBF CCO/C(O)=C1\C(C)=NC(=S)N(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 26578076 IDBHHAZJRAVAIA-PMIVHWTLSA-N 455.492 4.352 5 1 JIBF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21 587576940 QFLYDFAHGVQVQQ-HOFKKMOUSA-N 481.416 4.456 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587743940 CAQHRRMUMVAPTK-GIPWTMENSA-N 466.307 4.283 5 1 JIBF CN(c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1)[C@H]1CCN(Cc2ccccc2)C1 95575303 PJJWLNRKJJVXDD-HNNXBMFYSA-N 464.469 4.294 5 1 JIBF C[C@H](NS(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1)c1ccccc1 95582000 UVVNHLGXPBGUMO-SFHVURJKSA-N 484.581 4.329 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(C)nn(C)c3C)c(C)c2c1 587620491 CZYVXJUPOHBJFE-UHFFFAOYSA-N 469.523 4.211 5 1 JIBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215278 PSSJOCNSEWDUHG-RIEVBORMSA-N 497.548 4.057 5 1 JIBF COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc([N+](=O)[O-])cc1 13676654 ZWJVFWQBNXKWES-UHFFFAOYSA-N 468.506 4.238 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1Oc1ccccc1)C2 72179904 LYGZAZGQYINPIK-AWEZNQCLSA-N 450.373 4.033 5 1 JIBF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 96177300 QCAXQYNYBXEQHI-UHFFFAOYSA-N 469.436 4.236 5 1 JIBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586936834 NRPWOMZKMVZCPR-AWEZNQCLSA-N 485.385 4.006 5 1 JIBF O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1CCCCC1 28818774 UJRTUUXAXARWOT-AREMUKBSSA-N 478.593 4.394 5 1 JIBF COc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148537 GKMOCXAMDPVGQG-UHFFFAOYSA-N 463.538 4.443 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)nn2)c1 587268829 BLEVGXRMKWPFIX-UHFFFAOYSA-N 495.908 4.173 5 1 JIBF O=[N+]([O-])c1cccc(CNc2nc(C(F)(F)F)nc3ncc(-c4cnn(C5CCNCC5)c4)cc23)c1 95562026 OIYLUARXJZNDPY-UHFFFAOYSA-N 498.469 4.352 5 1 JIBF in-vitro Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1ccc2ccccc2n1)C(Cl)(Cl)Cl 1857602645 YSOCVTNGFADWIX-INIZCTEOSA-N 487.731 4.183 5 1 JIBF O=[N+]([O-])c1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(I)cc3)cc2)no1 653692158 YIERWESBCKSLEJ-UHFFFAOYSA-N 475.202 4.432 5 1 JIBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1 963184838 JSNIGAYYJQUKSW-CXAGYDPISA-N 468.771 4.062 5 1 JIBF O=C(O)CCCCCCCOc1ccc(NC(=O)C2=C(O)CN(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 13440317 ATIOCNGHDSWCGA-UHFFFAOYSA-N 497.504 4.196 5 1 JIBF COC(=O)c1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 587265176 LQTUNCIDRDVROM-HNNXBMFYSA-N 465.441 4.089 5 1 JIBF CCOC(=O)[C@@](Cc1ccccc1)(Nc1ccc(OC)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 206047411 KGGGOODFNUMBAB-NOZRDPDXSA-N 450.491 4.294 5 3 JIBF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCC(N4CCCCC4)CC3)c([N+](=O)[O-])cc2c1=O 40862459 PQWOTXFUZNCHGT-UHFFFAOYSA-N 494.523 4.191 5 1 JIBF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 169352595 GCXOJSSBLOSPBR-NRFANRHFSA-N 455.902 4.145 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586948129 FBDKUOYVNWOOEG-UHFFFAOYSA-N 471.426 4.295 5 1 JIBF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CCc5cccc([N+](=O)[O-])c5)[nH]c4c3)cc2)CC1 587269444 CPYPWMALQKDZDJ-UHFFFAOYSA-N 498.587 4.256 5 1 JIBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748882 BHKUWEXYWXXDMV-ASSNKEHSSA-N 464.335 4.312 5 1 JIBF O=C1c2ccccc2C(=O)N1COC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 40939679 XXYSLMHFBCXEDJ-UHFFFAOYSA-N 495.900 4.450 5 1 JIBF COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC 587574691 GKJYQGIWMAQHGQ-XUZZJYLKSA-N 451.431 4.281 5 1 JIBF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21c2cc([N+](=O)[O-])ccc2-c2nn(C)c(C(C)(C)C)c21 963639356 UZXPQFCAUDMFSW-IYJVBRSBSA-N 462.550 4.450 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1F)C2 113987891 XRFJSLRWSQZSIS-INIZCTEOSA-N 453.348 4.474 5 1 JIBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1ccco1 113051233 GMOMIMMYIDECGN-IZTJEQOUSA-N 462.566 4.137 5 1 JIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587268227 XSQUZXPMOLWSQZ-LBPRGKRZSA-N 460.903 4.040 5 1 JIBF CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC 587669361 KOCSLQHLHXSYQR-INIZCTEOSA-N 491.504 4.175 5 1 JIBF COc1ccc(OC)c2c1C[C@H](C)N[C@]21c2cc([N+](=O)[O-])ccc2-c2nn(C)c(C(C)(C)C)c21 963639363 UZXPQFCAUDMFSW-RMKBEBRYSA-N 462.550 4.450 5 1 JIBF COc1cc2c(c3c1c(=O)c1c4ccc(Br)cc4ccc1n3C)[C@@H](O)[C@@H](O)C(C)(C)O2 71333733 JMQIIOCKVKCRKK-DHIUTWEWSA-N 484.346 4.181 5 1 JIBF Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O 100373860 ZNEQEOGXKINPPR-HDICACEKSA-N 480.568 4.285 5 1 JIBF C[N@+]12CC[C@@H]1[C@H](NC(=O)c1ccccc1Nc1ccc3c(/C=C/c4ccccn4)[nH]nc3c1)C2 1772577832 YWVYBHKMCXGZFF-AHYUKCMYSA-O 451.554 4.203 5 1 JIBF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(c3ccccc3[N+](=O)[O-])=NO2)cc1O 1772657626 XFMPROGNKNFFBZ-VWLOTQADSA-N 480.473 4.403 5 1 JIBF Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1[N+](=O)[O-] 586949817 BHEZYHZEQHKVLG-UHFFFAOYSA-N 466.475 4.019 5 1 JIBF CNC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)CC1 13863816 QNPSGQWAWDUUBG-PKNBQFBNSA-N 468.579 4.366 5 1 JIBF Cn1c(=O)c([C@@H](c2ccc([N+](=O)[O-])cc2)c2c(O)c3ccccc3n(C)c2=O)cc2ccccc21 102957837 YGWMJNLZUQMRMY-HSZRJFAPSA-N 467.481 4.184 5 1 JIBF Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123330 CXFYDIRFEQKJEQ-UHFFFAOYSA-N 479.234 4.471 5 1 JIBF O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 587655251 YEMGDRGKSFTJDO-UHFFFAOYSA-N 491.312 4.402 5 1 JIBF CCC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 27210765 QNIDOVMPJOUCSQ-IBGZPJMESA-N 471.457 4.444 5 1 JIBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2ccccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 49781480 PNDFQQDVFPOEOP-JOCHJYFZSA-N 486.908 4.278 5 1 JIBF CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 103293859 VMPOXWLPFHATJS-INIZCTEOSA-N 450.167 4.354 5 1 JIBF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21 587575051 HUTALYKPMPFRAY-YIXXDRMTSA-N 481.416 4.456 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1 587579419 ZSPWYODXQRUOCO-JYFHCDHNSA-N 476.485 4.212 5 1 JIBF CCc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1=O 72176452 FSORIHUWKZSZAA-UHFFFAOYSA-N 464.547 4.168 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 587668082 YXVFOGYGFKJVLR-UHFFFAOYSA-N 488.500 4.243 5 1 JIBF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 2481101 CWBIWEYUQSHNFY-UHFFFAOYSA-N 475.885 4.354 5 1 JIBF NC(=O)c1cc([N+](=O)[O-])c2c(c1)nc(NCc1ccccc1Cl)n2C[C@H]1CCCCC[C@H]1O 49110770 YYFQARLZPMIZTA-FOIQADDNSA-N 471.945 4.250 5 1 JIBF O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H](O)COc1cccc2[nH]c3ccccc3c12 64447371 IJADQMRMZYBTRL-QGZVFWFLSA-N 472.457 4.231 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 587748055 SACLJNSRGMWJRN-GIPWTMENSA-N 467.291 4.364 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 587749744 FDUAKJISQSEMOH-YUNKPMOVSA-N 461.291 4.353 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@H]3CCCc4c3cccc4[N+](=O)[O-])C(F)(F)F)cc12 101395450 BFPGMZNBQDECJA-MCMMXHMISA-N 491.422 4.147 5 1 JIBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccncc3)[C@H]1C2 73140198 VTGYCLNFOBFNOU-WMZHIEFXSA-N 459.462 4.172 5 1 JIBF O=C(NCC1CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081279 FSJPOSHIYKLIGA-QGZVFWFLSA-N 456.568 4.267 5 1 JIBF Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336777 AOQWMHZFXJMUMP-RDGATRHJSA-N 459.433 4.476 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586943084 NYYYTYDUECSJPR-UHFFFAOYSA-N 494.154 4.061 5 1 JIBF O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cncc([N+](=O)[O-])c5[nH]4)(C3)C1)C2 587087251 CICYRGFTBJOUDG-GZSHBGDESA-N 475.336 4.268 5 1 JIBF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c(C)cc4[nH]2)cn3C2CC2)CC1 587172912 PZFZGRLVJRTBJZ-UHFFFAOYSA-N 490.539 4.377 5 1 JIBF CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587664833 JTQKMORTTKAXDT-UHFFFAOYSA-N 458.474 4.212 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 587753381 VNMHGUGPNZJFIU-FKIZINRSSA-N 461.291 4.353 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 587841448 AYCHOLJUBWXBST-XTZNXHDOSA-N 478.347 4.400 5 1 JIBF O=[N+]([O-])c1ccc(Br)c(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 95601647 LWARHGWPHSANOQ-UHFFFAOYSA-N 468.355 4.060 5 3 JIBF CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 73218903 JANRMCXRMGOMQW-HXUWFJFHSA-N 452.400 4.063 5 1 JIBF COC(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1OC 587118581 PEKZKDLJZARBMP-UHFFFAOYSA-N 475.383 4.197 5 1 JIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 587390375 PWISUCICQOVAED-JOCHJYFZSA-N 482.537 4.249 5 1 JIBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccncc2[N+](=O)[O-])N1C(=O)c1ccc(Cl)cc1 963022148 OHHQJPOZGCVULZ-UGKGYDQZSA-N 476.876 4.366 5 1 JIBF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c3cccnc3c3ncccc3c2[nH]1 586965110 KYFAIFIZLFCVDD-UHFFFAOYSA-N 455.551 4.116 5 1 JIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748444 USNKRLGIBZRFLZ-MCGXXNDWSA-N 453.308 4.378 5 1 JIBF CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4 14714932 JZLFYMHIISZQCZ-FYTWVXJKSA-N 482.540 4.060 5 1 JIBF biogenic CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148758 ZJVQCNKJUNEIHW-WOJBJXKFSA-N 499.612 4.049 5 1 JIBF COc1cc(N)c(I)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587180947 UBQIHXXZTMTNJB-UHFFFAOYSA-N 489.067 4.096 5 1 JIBF O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 26651817 XPVXOZXRPWBCDK-VHEBQXMUSA-N 476.302 4.240 5 1 JIBF CC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@]1(O)CO 28520877 ONSKSKMJNHEONW-XHCCPWGMSA-N 455.514 4.093 5 1 JIBF in-vivo COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(OC)c2c1 587620981 KTNCLEZOHTULMQ-UHFFFAOYSA-N 498.473 4.469 5 1 JIBF O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1[N+](=O)[O-] 29468344 HSLDNWXWECCTSZ-UHFFFAOYSA-N 453.458 4.252 5 1 JIBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 49781477 ROJXAKIYKFGECC-QFIPXVFZSA-N 470.909 4.442 5 1 JIBF COc1ccc2cc3[n+](cc2c1OC(=O)c1ccccc1[N+](=O)[O-])CCc1cc2c(cc1-3)OCO2 1857579140 HSYGXILDMZZQLK-UHFFFAOYSA-N 471.445 4.215 5 1 JIBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 773528 ZPWHQVHVORMEIR-DYVFJYSZSA-N 487.484 4.210 5 1 JIBF O=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 1857585189 VCIVPGYOXZKBQH-UHFFFAOYSA-N 460.471 4.224 5 1 JIBF CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)C[C@H]1C(=O)O 13863828 PUAUSJUWVGDGCP-ZUURVNMSSA-N 497.573 4.027 5 1 JIBF CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 169327965 QVWNIVGEFNMABY-WRALFONMSA-N 459.458 4.115 5 1 JIBF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCn1c([N+](=O)[O-])cnc1C 587390966 TVJWOLWIJDQLTD-NRFANRHFSA-N 466.494 4.175 5 1 JIBF Cc1cc(C)n2nc(SCc3nnc(SCc4ccc(C)c([N+](=O)[O-])c4)s3)nc2n1 96928627 RBNSEJNVJRZVTN-UHFFFAOYSA-N 459.582 4.394 5 1 JIBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135406 KUTYZIDGXUFIDO-CALCHBBNSA-N 489.532 4.193 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(I)c2[nH]1 587264039 QLCZNIUTIDCXIN-SNVBAGLBSA-N 481.246 4.427 5 1 JIBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 587265569 GBJZSJDGBGUJGK-GTNSWQLSSA-N 459.422 4.010 5 1 JIBF CCNc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587657405 VWMNYFNRBBQWNB-UHFFFAOYSA-N 450.401 4.370 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 587748652 AVYDIPWRVOFVFU-ODXCJYRJSA-N 461.291 4.353 5 1 JIBF O=C(NCC1CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081278 FSJPOSHIYKLIGA-KRWDZBQOSA-N 456.568 4.267 5 1 JIBF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3C3(c4cc([N+](=O)[O-])ccc4-c4ccc([N+](=O)[O-])cc43)N12 962649543 XKLDLWBRPFLMTG-SANMLTNESA-N 496.479 4.422 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1cc2ccccc2cn1)C(Cl)(Cl)Cl 1857582078 QAUXBDQGNSEMTD-INIZCTEOSA-N 487.731 4.183 5 1 JIBF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CC2)cc1 586954795 ISMHIOUTLIYMEY-UHFFFAOYSA-N 479.356 4.110 5 1 JIBF O=[N+]([O-])c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 587179259 STNCDXFTPGLOAV-UHFFFAOYSA-N 491.026 4.347 5 1 JIBF CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 587748252 SVFVXZRBJVGPRS-WSVYEEACSA-N 489.301 4.091 5 1 JIBF O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772573695 GKLSXZUQANTCKH-UHFFFAOYSA-N 457.446 4.167 5 1 JIBF COc1ccc2c(=O)c3cc(OC)c4c(c3oc2c1)O[C@H](OC)[C@@H](c1ccc(O)c(OC)c1)O4 2356504492 UGBLMIVVSHFUSS-BWKNWUBXSA-N 466.442 4.163 5 1 JIBF O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 82153612 FJRCJIKNBKKQGO-KRWDZBQOSA-N 462.384 4.165 5 1 JIBF O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857543947 VDIVMUYGUBLIHS-VTIINTLQSA-N 458.578 4.154 5 1 JIBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 774975 LQWOYOIXYWPTEA-AEFFLSMTSA-N 485.468 4.106 5 1 JIBF COc1ccccc1Sc1cc(C)c(/C=C/C(=O)N2CCC(C(=O)O)CC2)cc1[N+](=O)[O-] 13470582 SFGHGDJVVBBNGB-BQYQJAHWSA-N 456.520 4.399 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 587747916 QWNFJXWCJMGMDX-PRWKNARSSA-N 467.291 4.364 5 1 JIBF Cc1ccc(C(=O)Nc2cccc([C@]3(C)NCCc4ccc(C(=O)N(C)C)cc43)c2)cc1[N+](=O)[O-] 962929690 VSMHYURZHGCHKK-MHZLTWQESA-N 472.545 4.267 5 1 JIBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774647 VLGRYAYBOQFZST-WBMJQRKESA-N 487.896 4.436 5 1 JIBF CCOc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 82149196 VEVJZEBQZVCBRN-UHFFFAOYSA-N 491.548 4.350 5 1 JIBF N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F 587143086 VRZPWHQOBAMZCU-LLVKDONJSA-N 458.085 4.378 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(F)cnc(Br)c2[nH]1 587261615 CTMOJKUXPHLBCJ-QMMMGPOBSA-N 453.224 4.119 5 1 JIBF Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O 587576905 QDPGNCHIAJCYDA-JYFHCDHNSA-N 470.437 4.357 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cc(C)ccn3)c2c1 587621334 UDKRFXPBMLOPSF-UHFFFAOYSA-N 495.517 4.150 5 1 JIBF COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H]1c1ccccc1Cl 587063616 XKCADCGUGQOJEW-RNODOKPDSA-N 473.873 4.126 5 1 JIBF COc1ccc([N+](=O)[O-])c([C@H]2c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)n1 963916153 SBDXRSXYDWPPJS-QVKFZJNVSA-N 457.483 4.033 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3Cl)cn1)C2 66259857 JQOVNQIUKPLNJL-AWEZNQCLSA-N 470.791 4.383 5 1 JIBF NC1CC(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C1 587255627 TVQMFBXARYNFEB-UHFFFAOYSA-N 455.470 4.125 5 1 JIBF CCOC(=O)C1=C(C(F)(F)F)NC(C(F)(F)F)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 49089534 ZOHZOFMNVRWBHI-UHFFFAOYSA-N 482.333 4.041 5 1 JIBF C[N+]1(CCOCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 34802164 SNNSMXBTHSLXDC-XIDOUCRZSA-O 456.610 4.391 5 1 JIBF O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051640 JXYUSLLNWJOSFE-APTRMMRNSA-N 479.920 4.060 5 1 JIBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 49781479 PNDFQQDVFPOEOP-QFIPXVFZSA-N 486.908 4.278 5 1 JIBF CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206553 FRGVICNEWRUCPU-FPOVZHCZSA-N 479.364 4.451 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 587749742 FDUAKJISQSEMOH-ODXCJYRJSA-N 461.291 4.353 5 1 JIBF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(F)cc1[N+](=O)[O-] 963072466 ZCTMWFWHEKCPSD-SXWKCWPCSA-N 499.495 4.302 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)c2scnc2C[C@@H]1C(=O)O 963155176 YAJIHHGFHLEFLM-MSOLQXFVSA-N 470.507 4.178 5 1 JIBF COc1cc2c(cc3c4c(cc5c(c42)OCO5)C(=O)N3CCCN(C)C)c(OC)c1OC(C)C 27102447 YNEJCTNLYYCANT-UHFFFAOYSA-N 466.534 4.438 5 1 JIBF CC(=O)c1cc(C(C)=O)c(OC(=O)c2ccccc2[N+](=O)[O-])cc1OC(=O)c1ccccc1[N+](=O)[O-] 103176835 HGVJJJNQJAKJNI-UHFFFAOYSA-N 492.396 4.347 5 1 JIBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c21 587469866 HNVDLOSWMVHTBD-SANMLTNESA-N 473.437 4.405 5 1 JIBF Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587511055 CWGREIRBJINQFD-HHHXNRCGSA-N 484.464 4.207 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1O 587540514 PCILSVWXQRLAQZ-OXQOHEQNSA-N 458.220 4.471 5 1 JIBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O 587447986 GWUXMVXJKDJSMV-CYFREDJKSA-N 465.483 4.066 5 1 JIBF Cc1cc([N+](=O)[O-])ccc1-n1cc(COc2cccc(-n3c(C)nc4ccccc4c3=O)c2)nn1 1857655085 VGOBYJLLHMYEOU-UHFFFAOYSA-N 468.473 4.070 5 1 JIBF O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051641 JXYUSLLNWJOSFE-UCFCWBNQSA-N 479.920 4.060 5 1 JIBF COc1ccc2nc(C)cc(N3CCC(NC(=S)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 299868511 ROUDTSLYGYFSMR-UHFFFAOYSA-N 451.552 4.415 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1c([N+](=O)[O-])cccc1C(F)(F)F 963155198 YDJVYWHHKQSUIA-TZMCWYRMSA-N 473.429 4.406 5 1 JIBF CCOc1ccc(CCNc2ncc(C(=O)N(C)CC)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 82150150 YUTLZMDVNVTWJR-UHFFFAOYSA-N 479.537 4.206 5 1 JIBF COc1ccc2cc3[n+](cc2c1OC(=O)c1cccc([N+](=O)[O-])c1)CCc1cc2c(cc1-3)OCO2 1857551258 SPFOVSQNMHEXHR-UHFFFAOYSA-N 471.445 4.215 5 1 JIBF CC1=C[C@H](CN2CCN(C)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356870886 HILQRGVCHRZHLZ-QZNHQXDQSA-N 453.587 4.289 5 1 JIBF CCCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832633 DEYPAOCOYLNSFR-UHFFFAOYSA-N 496.531 4.180 5 1 JIBF CC[N@+]1(C)CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 299849243 BCRZUMBMWZIXRV-GMYLUUGSSA-O 457.435 4.318 5 1 JIBF COc1ccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1S(=O)(=O)N1CCOCC1 586956808 JLNUPXOESTUGPH-UHFFFAOYSA-N 487.581 4.490 5 1 JIBF CCOc1ccccc1[C@](N)(c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(F)(F)F 587093582 VEORTZYUECOJNR-INIZCTEOSA-N 459.222 4.397 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)C3CC3)c2c1 587620153 QDHDPUNUGDMPJZ-UHFFFAOYSA-N 483.424 4.497 5 1 JIBF O=C(O)[C@@H]1Cc2c(ncn2Cc2ccc([N+](=O)[O-])cc2)CN1C(=O)C(c1ccccc1)c1ccccc1 13446841 QQNQXUSAHIZDLX-VWLOTQADSA-N 496.523 4.010 5 1 JIBF CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 214010536 ICTDYXJAQHRXCT-HWBMXIPRSA-N 459.458 4.115 5 1 JIBF Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O 253809462 ZNEQEOGXKINPPR-IYARVYRRSA-N 480.568 4.285 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586951492 WVLDTXMGPFMPEK-UHFFFAOYSA-N 494.371 4.166 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CN3CCCCC3)c2c1 587620987 MYNSLRZZDKYGLN-UHFFFAOYSA-N 458.540 4.180 5 1 JIBF CCOC(=O)[C@@H](C)[C@]1(C)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963014723 JSKVSGDLACHWRU-WJWNGFAUSA-N 483.568 4.249 5 1 JIBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCN(C)CC1 4213209 YBUJVRDQQBJVIX-XZOQPEGZSA-N 494.036 4.016 5 1 JIBF CC[C@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 82135752 YUQAPVKCVHOVKU-KRWDZBQOSA-N 493.564 4.276 5 1 JIBF Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@H]3CCCc4c3cccc4[N+](=O)[O-])C(F)(F)F)cc12 101395440 BFPGMZNBQDECJA-XMHCIUCPSA-N 491.422 4.147 5 1 JIBF CCOC(=O)C1CCN(c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])CC1 587389880 NNYOXEYCDJSSIS-VWLOTQADSA-N 467.522 4.146 5 1 JIBF O=C1C[C@H](c2cc([N+](=O)[O-])cc(I)c2O)Oc2c1ccc1c2CCCC1 587502000 BGYGPCSQLXVANA-QGZVFWFLSA-N 465.243 4.490 5 1 JIBF O=C1C(=O)N(Sc2ccccc2[N+](=O)[O-])c2c(Br)cc(Br)cc21 95596172 SLTFQKUBFCVCTD-UHFFFAOYSA-N 458.087 4.356 5 1 JIBF COc1cc2nc(Sc3cc([N+](=O)[O-])ccc3C(=O)O)n(-c3ccccc3)c(=O)c2cc1OC 96258067 BLRLDYSSWDTDOS-UHFFFAOYSA-N 479.470 4.161 5 1 JIBF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587280434 WWZNPXSEDFLFDG-QFIPXVFZSA-N 464.499 4.422 5 1 JIBF CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579078 YFFJUPJWDJKSNA-RDGATRHJSA-N 463.442 4.197 5 1 JIBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc([N+](=O)[O-])c(OC)n1 587859985 KPLIFQRKPGQCMK-UHFFFAOYSA-N 454.270 4.099 5 1 JIBF O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051643 JXYUSLLNWJOSFE-KWOQKUFVSA-N 479.920 4.060 5 1 JIBF Cc1cc(Cl)ccc1N1C(=O)[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H]1c1cccs1 2462772 CVEMNAHTMODJAN-OALUTQOASA-N 467.890 4.371 5 1 JIBF COc1cc(Nc2ccc([N+](=O)[O-])c3nonc23)c(Cl)cc1C(=O)OCCN1CCCCC1 26579436 MWUASDQCNUTMQZ-UHFFFAOYSA-N 475.889 4.179 5 1 JIBF O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=S)NNc1ccccc1[N+](=O)[O-] 27766022 RDLJFYDPHNQKHM-QFIPXVFZSA-N 475.574 4.166 5 1 JIBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCOc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 78972981 KGGBFBDAZHLTNB-GGAORHGYSA-N 466.490 4.228 5 1 JIBF CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@]12C(=O)Nc1ccc(F)cc12 299849593 OJEXDCVVMDBSDN-OTNCWRBYSA-N 477.448 4.049 5 1 JIBF Cc1onc(-c2nc3c(C)cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079325 IXPHSXFUTQWSDB-UHFFFAOYSA-N 451.668 4.404 5 1 JIBF N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1F 587142601 HPMQSBQQUUPJKL-LLVKDONJSA-N 458.085 4.378 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587186000 CMJUCYABVOKFND-UHFFFAOYSA-N 484.051 4.153 5 1 JIBF COc1ccc2c(c1OC)[C@@](C)(c1ccc([N+](=O)[O-])c(F)c1)N(C(=O)c1ccccc1N)CC2 963157441 QOVVHBJZPZPQTH-RUZDIDTESA-N 465.481 4.295 5 1 JIBF O[C@H]1[C@H](O)CO[C@@H](n2c3ccc(Cl)cc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@@H]1O 85599963 JEOAJYYDZYNEAH-YJSIEXFISA-N 457.313 4.347 5 3 JIBF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 767734 SPWZWIPQENWXGS-NOZRDPDXSA-N 491.500 4.029 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215276 PSSJOCNSEWDUHG-MUEKUWCCSA-N 497.548 4.057 5 1 JIBF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc5nc6ccccc6nc5cc4[nH]3)cccc12 586942248 UNMPFNKCFVELGE-UHFFFAOYSA-N 482.569 4.357 5 1 JIBF CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587500943 FBIOFRYFHDXJSZ-SANMLTNESA-N 499.491 4.216 5 1 JIBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587269095 POVFCLPOPXJGKK-UHFFFAOYSA-N 492.439 4.298 5 1 JIBF C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(Nc5cnn(C)c5)cc4c32)ccc1C 1772598319 FBOHLYJWGQLGSG-UHFFFAOYSA-N 450.502 4.449 5 1 JIBF O=c1c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 13137083 XBKXBRCTEOYKDB-UHFFFAOYSA-N 457.394 4.399 5 1 JIBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCC(C)C)cc1 774442 PIAZJQUAXKNUHQ-UHFFFAOYSA-N 455.467 4.328 5 1 JIBF CSc1nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c(-c2ccccc2[N+](=O)[O-])n1 29323648 OZWTVYFJBZOGIW-UHFFFAOYSA-N 452.536 4.371 5 1 JIBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 82082825 LFIRNUUTIPLCBT-LBPRGKRZSA-N 494.451 4.052 5 1 JIBF O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 100802832 IQBJCVXYFIDHQY-KDURUIRLSA-N 468.579 4.018 5 1 JIBF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586938014 TYRGMGYIVNEAFT-CYBMUJFWSA-N 485.385 4.006 5 1 JIBF COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 105175234 RUSLOBPTXFKFNW-IAECCPNBSA-N 467.570 4.301 5 1 JIBF COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1CC=C(C)C 299825265 FBZKPKVQLIILQZ-XFXZXTDPSA-N 464.478 4.370 5 1 JIBF O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1[N+](=O)[O-] 587140828 GNZVUIYIRXZAEN-UHFFFAOYSA-N 475.389 4.125 5 1 JIBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21c2cc([N+](=O)[O-])ccc2-c2nn(C)c(C(C)(C)C)c21 963639360 UZXPQFCAUDMFSW-PTFIGZPYSA-N 462.550 4.450 5 1 JIBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4295019 IOGSYPLUTNJWOF-YZGWKJHDSA-N 464.950 4.047 5 1 JIBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OCc3ccccc3)c2[nH]1 587266720 NKUKSLJIYXPZJI-LHSJRXKWSA-N 463.450 4.492 5 1 JIBF CCOc1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC 587669788 PFTZEEZPQAPCGS-UHFFFAOYSA-N 459.458 4.458 5 1 JIBF COC[C@@]1(c2ccccn2)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963026016 RNLHAADYBHGMQH-FREGXXQWSA-N 490.563 4.119 5 1 JIBF Cc1c(O)nc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nc1Cc1c(Cl)cccc1Cl 13677593 TUCIHFZVPUQSMQ-UHFFFAOYSA-N 468.318 4.270 5 1 JIBF CN(Cc1ccccc1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F 84690137 OAFVIBMMYOJKFW-UHFFFAOYSA-N 499.492 4.413 5 1 JIBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1ccc([N+](=O)[O-])n1 587578807 RVQGVHUZHQJQJE-RCZVLFRGSA-N 473.441 4.257 5 1 JIBF CC(=O)c1ccc(-c2ccc3ncc4c(O)nc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1 1772639951 UOLZSRROTRNVDP-UHFFFAOYSA-N 477.402 4.318 5 1 JIBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055676 BJUPUJUHLPDZBH-SAJDGTNDSA-N 478.332 4.413 5 1 JIBF CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 214010598 ICTDYXJAQHRXCT-FBLLAGFSSA-N 459.458 4.115 5 1 JIBF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccccc3)[nH]c3ccc([N+](=O)[O-])cc23)c1 71318087 NIVASVQLFPNGLI-UHFFFAOYSA-N 463.515 4.456 5 1 JIBF COc1ccccc1NS(=O)(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 587136604 HHNUPNSBBJXQKF-UHFFFAOYSA-N 499.524 4.364 5 1 JIBF Cc1c(O)ccc2c1[C@](c1cccc([N+](=O)[O-])c1)(c1cnc3ccccc3c1)N[C@H](C(=O)O)C2 963493763 WUOPJZNLAQAARW-NVQXNPDNSA-N 455.470 4.048 5 1 JIBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCOc2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 169723564 VFPQFQROYHNIGP-IRLDBZIGSA-N 486.908 4.492 5 1 JIBF Cc1cc2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587109159 UGPIHOKUHYCCEQ-OAHLLOKOSA-N 454.430 4.324 5 1 JIBF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](Cc2ccc([N+](=O)[O-])cc2)(c2cccnc2)N1 962694510 HLYNCLFAYAIANX-IRLDBZIGSA-N 475.398 4.233 5 1 JIBF COCCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 82149601 IZOYFEUHOXOQAM-UHFFFAOYSA-N 455.902 4.084 5 1 JIBF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(NCCOC)c([N+](=O)[O-])c3)nc2c1 587262661 ZETPDLFMBYHZCU-UHFFFAOYSA-N 463.288 4.136 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN1CCCC1 4212004 KWVBRORTAGNJBQ-DNQXCXABSA-N 490.601 4.228 5 1 JIBF O=[N+]([O-])c1cccc(CSc2nc3nncc-3c(O)n2-c2ccccc2Br)c1 103903383 XXKCZRQXUOYWAS-UHFFFAOYSA-N 458.297 4.436 5 1 JIBF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587140701 IZULNZFCQTWRRD-INIZCTEOSA-N 458.874 4.468 5 1 JIBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCc2ccccc2N)cc1 770350 XTERHDQHGUCBQH-UPVQGACJSA-N 493.951 4.305 5 1 JIBF CCOC(=O)c1cc(Br)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 587136893 KRWPDWQTRNTZNQ-UHFFFAOYSA-N 465.279 4.494 5 1 JIBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215207 PTXHRWYEJMRQHI-WBMPXIIWSA-N 479.574 4.149 5 1 JIBF CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587743804 BUYOXNVKKLROLI-ODXCJYRJSA-N 451.292 4.227 5 1 JIBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCC[C@H]([N+](=O)[O-])C2)N1C(=O)c1ccc(Cl)cc1 963005206 AGVDGHNNNNJSBK-YFBXQHAESA-N 467.909 4.388 5 1 JIBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587744822 FXXFFMLAKZIQSU-LRTDBIEQSA-N 465.319 4.422 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 587862805 KICJRCZGEZOYRE-UHFFFAOYSA-N 471.395 4.419 5 1 JIBF C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968642 PPHPUMGWUUJZER-CQKJPXBLSA-N 489.258 4.133 5 1 JIBF COc1cc2c3ccccc3[n+](C)c3c4ccc(/C=C/C(=O)N5CCOCC5)cc4n(C)c(c1)c23 13675631 ZTDKXDRFWKAUMI-PKNBQFBNSA-N 466.561 4.343 5 1 JIBF CCCCCc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163659 BCTUAMBEGJZVLG-SFHVURJKSA-N 478.553 4.450 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586949186 UGQOIOYEZXAJFI-UHFFFAOYSA-N 478.412 4.008 5 1 JIBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 4040143 ZTTBNOMULUCCGO-VWNXMTODSA-N 499.999 4.008 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3F)cc1)C2 45254807 QNLUPZDISCKWNR-HNNXBMFYSA-N 453.348 4.474 5 1 JIBF COc1ccc(CCNc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82150096 UADAVUSSYITUPI-UHFFFAOYSA-N 461.522 4.341 5 1 JIBF Cc1c2c(nn1-c1ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc1)-c1ccccc1S(=O)(=O)N2C 169307436 SXUFXUTYBKWMDO-UHFFFAOYSA-N 486.513 4.438 5 1 JIBF CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(F)(F)F 587093583 VEORTZYUECOJNR-MRXNPFEDSA-N 459.222 4.397 5 1 JIBF CCOC(=O)c1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587619488 HCDOFESCQGAVEG-UHFFFAOYSA-N 487.412 4.081 5 1 JIBF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4053489 SPWZWIPQENWXGS-UKILVPOCSA-N 491.500 4.029 5 1 JIBF O=Cc1ccc2c(c1)c1c3c(c4c5cc(Br)ccc5n5c4c1n2C[C@@H](CO)C5)C(=O)NC3 28819537 AXLOGRDFIXPWFY-CYBMUJFWSA-N 488.341 4.343 5 1 JIBF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587434436 VJMBTEOHGVSMHR-IVZQSRNASA-N 451.435 4.017 5 1 JIBF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccncc2[N+](=O)[O-])N1C(=O)c1ccc(Cl)cc1 963022146 OHHQJPOZGCVULZ-KNQAVFIVSA-N 476.876 4.366 5 1 JIBF Cc1c(Cl)cccc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1 2462741 SEOVFPNGIRFJCB-MOPGFXCFSA-N 467.890 4.371 5 3 JIBF aggregator CC[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@H]12)c1ccc(Cl)cc1 5767219 CGYCEJGQMYDKDT-VDFWEUAESA-N 486.952 4.125 5 1 JIBF CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)CC1 962962396 XNUWYPXBYITMIT-HSZRJFAPSA-N 490.526 4.106 5 1 JIBF O=[N+]([O-])c1ccc(CNCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1 27643047 UWRGNXFDDJKACU-UHFFFAOYSA-N 497.043 4.396 5 1 JIBF O=C(CC1CCCCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 210463040 ZZBRPKBSURWLDP-UHFFFAOYSA-N 484.500 4.203 5 1 JIBF C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 4050790 XVNYNXRFNGMDNB-FKIJXQQXSA-N 477.448 4.432 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cncc(Br)c2[nH]1 586949573 ZETHPNXGELKMLO-UHFFFAOYSA-N 488.323 4.405 5 1 JIBF O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 100916060 JWYHGTVIHUDYLN-KDURUIRLSA-N 468.579 4.018 5 1 JIBF CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 103245399 PEMRBKSFLIGUSD-AWNIVKPZSA-N 452.511 4.304 5 1 JIBF Cc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(Br)cc1[N+](=O)[O-] 586980039 NPNXVHKLKXCEON-UHFFFAOYSA-N 455.272 4.268 5 1 JIBF C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(CC2CCCCC2)c1=N)c1ccccc1 1857639252 NNVCHRBKUOJOII-SFHVURJKSA-N 455.562 4.200 5 1 JIBF CCCCCc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174559 XVAWMJJVVGSQSI-SFHVURJKSA-N 478.553 4.450 5 1 JIBF O=C(CSc1nnc(-c2cc3ccccc3oc2=O)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 103186140 WTDSVUHKSRUITM-UHFFFAOYSA-N 481.471 4.092 5 1 JIBF CCOC(=O)C1=C(C)NC(SCCN(C)Cc2ccccc2)=N[C@@H]1c1cccc([N+](=O)[O-])c1 299857646 OHCOMYVNJCPWRT-JOCHJYFZSA-N 468.579 4.297 5 1 JIBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055675 BJUPUJUHLPDZBH-BOFXEDATSA-N 478.332 4.413 5 1 JIBF O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 103244251 JVIXVRCXSJUHMY-AWNIVKPZSA-N 474.492 4.348 5 1 JIBF CCNc1nc(NCC(C)(C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 82119516 HTSAQIZKSIFUMS-UHFFFAOYSA-N 496.568 4.164 5 1 JIBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Br 587857481 QPORDNPCTIRBEQ-UHFFFAOYSA-N 475.086 4.338 5 1 JIBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 962898693 MJHMEHVFLKYRTI-URXFXBBRSA-N 458.449 4.275 5 1 JIBF Nc1ccc(-c2cc3c(cc2F)ncc2ncc(=O)n(C4CCN(C(=O)c5ccccc5)CC4)c23)cn1 1772630149 HETSAZYADKRKEE-UHFFFAOYSA-N 494.530 4.205 5 1 JIBF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 13878900 BQZUFIHXKCQHOK-OAQYLSRUSA-N 466.925 4.249 5 3 JIBF NC(=O)[C@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82163661 CMSQYFZGIWGODB-HNNXBMFYSA-N 460.519 4.030 5 1 JIBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 102600801 ZQSGUVZPLSWORF-LXQIZEMBSA-N 450.875 4.219 5 1 JIBF O=[N+]([O-])c1cccc(-c2ccc(OC[C@@H](CCc3ccncc3)N3CCCS3(=O)=O)cc2)c1 13587492 ZNAXHHPPQQZYEU-HSZRJFAPSA-N 467.547 4.073 5 1 JIBF CO[C@H]1[C@@H](N)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 14714868 JJIDUOWALRMQNQ-ZHRWAWIBSA-N 452.514 4.093 5 1 JIBF COCCCNc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82135912 MEBFIGRWZBNROU-UHFFFAOYSA-N 489.454 4.449 5 1 JIBF COC(=O)[C@@H]1CCCCN1C(=O)c1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 103175463 BOLGISBOGIJPET-FQEVSTJZSA-N 467.518 4.195 5 1 JIBF COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055637 GOBLFGOWZKGYDW-MJGOQNOKSA-N 452.294 4.146 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1O[C@H](CCN1CCC(n2c(=O)nc3cccc[c-]32)CC1)C(C)C 169718685 BDLXCVFPACECOZ-HSZRJFAPSA-N 451.547 4.463 5 1 JIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 587865991 RWTIBOVJROMMBA-UHFFFAOYSA-N 486.410 4.204 5 1 JIBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 587944473 CNFCFYSZDPQSFO-LBPRGKRZSA-N 475.502 4.083 5 1 JIBF COCCN1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C(C)C)CC1 2356840930 MCZGJBLURXPFBX-SONWIMMPSA-N 497.640 4.306 5 1 JIBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2cc1Cl 586943591 ADRWRQSJWCRPER-UHFFFAOYSA-N 462.940 4.374 5 1 JIBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 586962350 WORAQVKNUPOBQU-DUXSXAKTSA-N 471.495 4.074 5 1 JIBF CC1=C(c2ccc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)NNC(=O)C1 587054091 JALHTQLKMHTJSP-FQEVSTJZSA-N 482.928 4.007 5 1 JIBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCc3ccccc3)cc2[nH]1 587266634 MDWZOAQZMTWVJH-RCDICMHDSA-N 463.450 4.492 5 1 JIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587268226 XSQUZXPMOLWSQZ-GFCCVEGCSA-N 460.903 4.040 5 1 JIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])O2 587391878 ZQXYVTIZPURAFY-SANMLTNESA-N 496.564 4.423 5 1 JIBF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587573723 COWKIKIRICBPQB-MXMTWJBOSA-N 495.440 4.254 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576682 PITIOBLYRRFYQC-XUZZJYLKSA-N 464.430 4.058 5 1 JIBF O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 13443354 QLOPXXURXBHVMH-UHFFFAOYSA-N 470.551 4.408 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1 82148481 GWYHREKIASJHTF-UHFFFAOYSA-N 497.552 4.081 5 1 JIBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1ccc(Br)cc1 169321883 FUQAETOLINWHNR-ZZLPTCMGSA-N 464.319 4.370 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCCCC(=O)O)ccc2[N+](=O)[O-])N1 587747914 QWNFJXWCJMGMDX-GIPWTMENSA-N 467.291 4.364 5 1 JIBF CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4080200 WFTGDMODGBEGLL-HKUYNNGSSA-N 466.321 4.128 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576680 PITIOBLYRRFYQC-URXFXBBRSA-N 464.430 4.058 5 1 JIBF O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657013 PWSKGOBYVVSDFS-UHFFFAOYSA-N 487.422 4.183 5 1 JIBF O=C(NCCCCc1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 59785499 UZSJSDASZRZPIR-GGXMVOPNSA-N 498.583 4.339 5 3 JIBF Cc1ccc([C@@H]2c3c(-c4ccccc4)nn(-c4ccc([N+](=O)[O-])cc4)c3Nc3[nH]c(=O)[nH]c(=O)c32)cc1 40424671 ZKMAXEQBIKWYAG-HXUWFJFHSA-N 492.495 4.370 5 1 JIBF O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085085 BBLBDRPUASDXKK-HXUWFJFHSA-N 454.552 4.330 5 1 JIBF COc1ccc([N+](=O)[O-])cc1[C@H](O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748445 USNKRLGIBZRFLZ-RBOBLBHYSA-N 453.308 4.378 5 1 JIBF O=c1c2ccc(OCCN3CCCCC3)cc2oc2cc(OCCN3CCCCC3)cc(O)c12 1911578318 NZGQUNIPKNIUQU-UHFFFAOYSA-N 466.578 4.381 5 1 JIBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 774974 LQWOYOIXYWPTEA-WMZOPIPTSA-N 485.468 4.106 5 1 JIBF CN(CC(=O)NCc1cccc(OC(F)(F)F)c1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085613 ADJHXRRWPNZGPC-UHFFFAOYSA-N 494.451 4.005 5 1 JIBF Cc1onc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587081045 ZVADRXAMDARVEE-UHFFFAOYSA-N 482.638 4.003 5 1 JIBF O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576657 PGKKNYSTQPWIFN-QPPBQGQZSA-N 465.414 4.247 5 1 JIBF O=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1857612545 CDIRXVZEOAULDC-UHFFFAOYSA-N 458.201 4.415 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OCc4ccccc4)nc3)c1)C2 66258997 VQKGALHTXPGSDA-QFIPXVFZSA-N 458.474 4.410 5 1 JIBF Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)cc1F 103222394 VKTWARNEQIWHBG-FQEVSTJZSA-N 471.514 4.115 5 1 JIBF CO[C@@H]1C[C@@]2(C)O[C@@H]([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 2356690748 IPUGEHXWDXTWIF-OHEMFHMQSA-N 453.498 4.127 5 1 JIBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4275105 XMGZDJUEDZUGKW-NKKJXINNSA-N 483.521 4.187 5 1 JIBF O=C(O)C(=O)Nc1ccc(NC(=O)c2cc3ccc([N+](=O)[O-])cc3s2)cc1C(=O)c1ccccc1 84632406 RGLSYKWDGRWJSN-UHFFFAOYSA-N 489.465 4.316 5 1 JIBF Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101521938 YGULJBMUJUDJHX-OYHNWAKOSA-N 477.608 4.471 5 1 JIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Br)ccc(Br)c2[nH]1 587268703 BUBBNBVRGBAYSH-UHFFFAOYSA-N 455.062 4.388 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N1 587843547 ISJZCVVJDAJUPC-XTZNXHDOSA-N 478.347 4.400 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215212 PTXHRWYEJMRQHI-NPCGQVANSA-N 479.574 4.149 5 1 JIBF Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2[N+](=O)[O-])cc1F 103200741 ZZKGNFKALLTDFL-FQEVSTJZSA-N 471.514 4.115 5 1 JIBF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5ccc([N+](=O)[O-])cc5)[nH]c4c3)o2)cc1 587269503 CWVZBCGVAOHCQQ-IBGZPJMESA-N 456.462 4.439 5 1 JIBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN(C)c1ccc([N+](=O)[O-])c2nonc12 587860295 QHQCWSZMFQAKFK-UHFFFAOYSA-N 491.291 4.477 5 1 JIBF C[C@@](O)(COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857578021 WESHTGJBRWDLFA-MRXNPFEDSA-N 452.307 4.401 5 1 JIBF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=S)S[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 1857652183 GQUBATSDZRRGEJ-HRCADAONSA-N 458.005 4.370 5 1 JIBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCc1ccccc1F 775963 ORJBNGHOXRGWHR-UHFFFAOYSA-N 455.442 4.388 5 1 JIBF COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 776283 QPEKQQBBWNGTTM-UHFFFAOYSA-N 497.504 4.266 5 1 JIBF O=C(c1ccc(Cl)cc1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 299865540 UFXXKMLUQWRYQP-UHFFFAOYSA-N 498.870 4.199 5 1 JIBF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 586999534 GDEGMHIRVXMGNL-UHFFFAOYSA-N 481.056 4.475 5 1 JIBF CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2[N+](=O)[O-])c2[nH]c3ccccc3c2C[C@H]1[C@@H](O)CC(=O)O 963072460 ZCTMWFWHEKCPSD-JTAQYXEDSA-N 499.495 4.302 5 1 JIBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC 773387 SUJWHTPQOPBJKB-SJLPKXTDSA-N 485.468 4.106 5 1 JIBF CC(C)CCc1c(OCCCOc2cccc(/C=C/C(=O)NO)c2)ccc2c1OC(=O)CC2 224940078 KCEGWSHXYKRAFC-MDWZMJQESA-N 453.535 4.493 5 1 JIBF Cc1ccc2c(c1)ncc1c(=O)n(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cnc12 72108006 MGALHGBMFOSZPU-UHFFFAOYSA-N 467.495 4.094 5 1 JIBF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586935941 KFBGGCARVVOKHV-GOSISDBHSA-N 463.588 4.432 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 586940733 DRYXBRNEPHTDNF-UHFFFAOYSA-N 491.776 4.087 5 1 JIBF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587785980 ABSAFJPQSQCCKF-UHFFFAOYSA-N 465.418 4.445 5 1 JIBF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 962634513 KFDMOMQYQWMIOZ-AVRDEDQJSA-N 456.376 4.365 5 1 JIBF CC(N)=[N+]1CCC(Oc2ccc(NCc3cccc(-c4cccc(C(=N)N)c4)c3)cc2[N+](=O)[O-])CC1 169717359 XZUDLMLPCQEKES-UHFFFAOYSA-O 487.584 4.089 5 1 JIBF O=[N+]([O-])c1ccc(CN2CCC(n3cc(Cc4ccc(Br)cc4)nn3)CC2)cc1 1857535052 MYWPLSGJYYMFDL-UHFFFAOYSA-N 456.344 4.377 5 1 JIBF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4055273 SEPHBPOTFTVDHM-TZIWHRDSSA-N 461.902 4.274 5 1 JIBF CCCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 13472363 IFNPTXPWWYFXLK-UHFFFAOYSA-N 461.442 4.086 5 1 JIBF CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 772513 PMPFLIDXLPZXPU-MJGOQNOKSA-N 466.321 4.128 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82135353 JFNXVFJXYRUIOT-BGYRXZFFSA-N 499.612 4.049 5 1 JIBF O=c1nc(N2[C@H]3C[C@@H]2CN(CC2CCCCC2)C3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857566685 OTZJZJDJRYZXRZ-GASCZTMLSA-N 468.501 4.427 5 1 JIBF NC(=O)c1cc(N2CCC(c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262526 BMPDVZUXMMYFAQ-UHFFFAOYSA-N 451.380 4.112 5 1 JIBF CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc([N+](=O)[O-])ccc5[nH]4)c3)CC2)CC1 618009435 QOGCSASIXKSUDD-UHFFFAOYSA-N 490.652 4.328 5 1 JIBF Cc1cc(Cl)ccc1N1C(=O)[C@@H](N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H]1c1cccs1 2462775 CVEMNAHTMODJAN-MOPGFXCFSA-N 467.890 4.371 5 1 JIBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587050658 ZIHSHGNEMUOHQN-UHFFFAOYSA-N 474.861 4.343 5 1 JIBF CSCC[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NC[C@@H]1CCCO1 82195819 GSYJZKHIOPEIOO-ZFWWWQNUSA-N 471.004 4.201 5 1 JIBF COc1ccc(-c2ccc([C@@H]3N[C@@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)o2)cc1[N+](=O)[O-] 962627601 HCKTVJQNPPQDQH-FOIQADDNSA-N 478.379 4.450 5 1 JIBF CN1C(=O)C[C@@H]2CN[C@H](c3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)CC3)c3cccc1c32 963017495 CSWOIPKZLJXGBJ-GDJIYFAZSA-N 483.572 4.064 5 1 JIBF O=c1nc(N2CCC3(CCN(Cc4ncco4)C3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857608834 QEXDHIRRFLYRKR-UHFFFAOYSA-N 495.483 4.064 5 1 JIBF O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 40424262 CHPCAIBZNWKXLF-LJQANCHMSA-N 478.468 4.061 5 1 JIBF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586985412 WHVPGDSYLPGUNN-AWEZNQCLSA-N 482.132 4.416 5 1 JIBF C[C@@H]1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3o2)CCN1CC1CCCCC1 1857576027 JYYWDNHQGOZTMJ-CYBMUJFWSA-N 454.449 4.206 5 1 JIBF CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 95596540 LGVAHROYOHSZDL-UHFFFAOYSA-N 496.516 4.105 5 1 JIBF COc1ccc2c(Br)c(CN3CCC[C@H]3C(N)=O)c3cc(OC)c(OC)cc3c2c1 103202464 JVUKMCDJCALZCH-IBGZPJMESA-N 473.367 4.231 5 1 JIBF CC[N@@+]1(C)CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 299849247 BCRZUMBMWZIXRV-POXGOYDTSA-O 457.435 4.318 5 1 JIBF COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511054 MXPBWGREHOZNBG-IUGBQFMMSA-N 497.544 4.156 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)OCc2ccc([N+](=O)[O-])cc2)N1 587751157 LBPAOYIARMRUHM-YUNKPMOVSA-N 451.292 4.379 5 1 JIBF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2ccccc2[N+](=O)[O-])n1 1857640161 NVGNQWINCGJSAT-UHFFFAOYSA-N 470.917 4.335 5 1 JIBF CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 772511 PMPFLIDXLPZXPU-IEBWSBKVSA-N 466.321 4.128 5 1 JIBF COCC[N@@+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 253686531 XEKBKFPFVCGCBX-VCTRWQRLSA-O 486.636 4.270 5 1 JIBF COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587744789 FQEJDIMLYYADNQ-YUNKPMOVSA-N 451.292 4.032 5 1 JIBF C[N@+]1(C[C@@H](CC(=O)O)c2cccc(O[C@@H]3CCOC3)c2)CC[C@@H](CCc2ccc3c(n2)NCCC3)C1 1857618241 YWTMANCVOUNUAR-VSDOEORASA-O 494.656 4.265 5 1 JIBF COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)[C@H](N)C(C)C)ccc32)cc(OC)c1 64527749 XYPMYKHSERTICN-RUZDIDTESA-N 459.546 4.142 5 1 JIBF O=C1N[C@@H](c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)Nc2c(I)cc(Cl)cc21 1857747547 VPCIWOYZMIDUFD-INIZCTEOSA-N 495.664 4.097 5 1 JIBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCC[C@H](C(=O)O)C2)ccc1[N+](=O)[O-] 13553377 YKANMRHOEMPXDO-NIRMNWTQSA-N 461.559 4.312 5 1 JIBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 774761 PJDBSYBDRZGDQV-UHFFFAOYSA-N 489.912 4.336 5 1 JIBF O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cccn2c(=O)c3cc(Cl)ccc3nc12 9475114 UNIODZABJRSZDP-UHFFFAOYSA-N 474.992 4.186 5 1 JIBF CC(C)CN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1 82148038 XYLRVPIVKQWTQM-UHFFFAOYSA-N 463.494 4.121 5 1 JIBF C[C@H](C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)c(F)c1 103200288 BGPVRFYZOGJGNF-XMHCIUCPSA-N 455.467 4.403 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)cnc2[nH]1 586949132 QRNWVZBISMOPFD-UHFFFAOYSA-N 488.323 4.405 5 1 JIBF COc1cc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)ccc1[N+](=O)[O-] 587573846 DHBNHQDXCUWPCA-JOCHJYFZSA-N 462.458 4.310 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 587749238 CYQBUUPJGUVSDK-CYBMUJFWSA-N 462.319 4.162 5 1 JIBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587751717 OGGZZZQTGBLWJH-ASSNKEHSSA-N 464.335 4.312 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 587862801 KFPDAMSYLCCTRP-UHFFFAOYSA-N 450.329 4.391 5 1 JIBF O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(Nc2ccc([N+](=O)[O-])cc2)o1 1857587533 SIIQMKKTVDYUCD-UHFFFAOYSA-N 467.445 4.055 5 1 JIBF CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 36285923 VLWPPHHWJYPARM-NRFANRHFSA-N 494.514 4.387 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OCc4ccccc4)nc3)cc1)C2 66263495 VJQPVAUJXSFSEC-QFIPXVFZSA-N 458.474 4.410 5 1 JIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587269760 GHSCRKHVLFHGPH-UHFFFAOYSA-N 486.893 4.317 5 1 JIBF COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1OC)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587432224 IOVUTUNVLSRZJN-FNZWTVRRSA-N 475.453 4.146 5 1 JIBF Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O 587576896 QDPGNCHIAJCYDA-BVAGGSTKSA-N 470.437 4.357 5 1 JIBF CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc2c(-c3nnn[nH]3)cc3ccccc3c(=O)c2c1 13742161 CWRWYPBWBJZCSR-UHFFFAOYSA-N 488.935 4.472 5 1 JIBF COCCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134823 KGIMQTYPBNSWLX-UHFFFAOYSA-N 469.929 4.126 5 1 JIBF COc1ccc(CCc2cnc3c(N)nc4cc(CCP(=O)(O)O)ccc4c3c2)c(C)c1 113407377 QDIIZWCSEUFKCD-UHFFFAOYSA-N 451.463 4.188 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)nn2)c1 587268884 CMKHDPVKYMSQHO-UHFFFAOYSA-N 464.077 4.244 5 1 JIBF O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccc(-c3ncccn3)cc2)CC1 72108676 UPVGQCXFZJQJEV-UHFFFAOYSA-N 491.599 4.004 5 1 JIBF CN[C@H]1C[C@@]2(C)O[C@@H]([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356314284 XTGJCWHCHWNXSE-WDKUTHSVSA-N 466.541 4.354 5 1 JIBF CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1CCCCCC(=O)O 8020500 WKACPIQEGBUQPN-QHCPKHFHSA-N 481.505 4.324 5 3 JIBF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCCOc3ccccc3)[nH]c3ccc([N+](=O)[O-])cc23)c1 71315826 VUEZMPSIZZGUAM-UHFFFAOYSA-N 493.541 4.335 5 1 JIBF O=c1c2ccccc2oc2c(OC[C@@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)cccc12 95597363 OCFHFZOXGSVKHU-KXOMFBTKSA-N 470.569 4.017 5 1 JIBF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C2CC2)n1 587232652 YAQSYCSQHLARBX-UHFFFAOYSA-N 454.443 4.343 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 587551439 FJCGVDXWDXSHKF-RXVVDRJESA-N 467.821 4.495 5 1 JIBF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccc([N+](=O)[O-])n1 587750110 GPSYDGALDCITIP-GTJPDFRWSA-N 475.318 4.373 5 1 JIBF COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 653710189 GGWZIAAWFHZFRV-GGAORHGYSA-N 450.447 4.156 5 1 JIBF Cc1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1 1617772 SZAXVQXCAWBQNQ-UHFFFAOYSA-N 472.801 4.009 5 1 JIBF COc1ccccc1CCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82214858 XGSQXQWDINLTNA-UHFFFAOYSA-N 461.522 4.341 5 1 JIBF COc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 473133161 YMKFBIPVGOJBCG-KRWDZBQOSA-N 465.384 4.343 5 1 JIBF COC(=O)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c12 586948845 PHEHYOURCFUWBJ-UHFFFAOYSA-N 466.475 4.034 5 1 JIBF COc1cc(Br)c([C@H](N)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1OC 586974155 CCCOHEBIXMMRKN-KRWDZBQOSA-N 464.323 4.487 5 1 JIBF CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587744805 FSIHPBSBQNLMKD-FKIZINRSSA-N 451.292 4.227 5 1 JIBF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccc([N+](=O)[O-])n1 587750116 GPSYDGALDCITIP-XUSGNXJCSA-N 475.318 4.373 5 1 JIBF CCOC(=O)[C@](Cc1ccccc1)(Nc1ccc(OC)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 206047439 KGGGOODFNUMBAB-UKILVPOCSA-N 450.491 4.294 5 3 JIBF Cc1ccc(CNc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135259 PZQFVQGYAVUFDP-UHFFFAOYSA-N 487.472 4.224 5 1 JIBF COCCNC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 82136137 MGAQILDUHJEFSE-UHFFFAOYSA-N 475.427 4.059 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1c(F)c(F)c(F)c(F)c1F 473118630 KUTFYJYUYWTRBD-UHFFFAOYSA-N 471.338 4.231 5 1 JIBF COc1ccc2c(c1OC)[C@](CCC1OCCCO1)(c1ccc([N+](=O)[O-])cc1)N(C)[C@H](C)C2 962566784 IYMHQIRPGQPNQB-NSYGIPOTSA-N 456.539 4.275 5 1 JIBF CN1C(=O)C[C@H]2CN[C@@H](c3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)CC3)c3cccc1c32 963017501 CSWOIPKZLJXGBJ-HMILPKGGSA-N 483.572 4.064 5 1 JIBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H](C)O1 586969625 XZLJYFJCUIBLRY-STQMWFEESA-N 468.514 4.459 5 1 JIBF Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126226 WHWZKWPXTAJOOD-UHFFFAOYSA-N 479.234 4.471 5 1 JIBF CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579075 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COWKIKIRICBPQB-GQIHDASDSA-N 495.440 4.254 5 1 JIBF O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 587655007 RMPWFCNDUTUQQM-UHFFFAOYSA-N 491.312 4.402 5 1 JIBF COc1cc2c(cc1OC)S[C@H](C(=O)C[C@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2 38151244 RUCMPVRFPBFNLE-MZXDXGPSSA-N 456.628 4.098 5 1 JIBF O=[N+]([O-])[C@@H]1[C@H](Cc2cnc[nH]2)N[C@@]2(c3ccccc3-c3nc4ccccc4nc32)[C@H]1c1ccccc1 1911571093 LOSDALWTUOUYIS-XWZVPRMZSA-N 474.524 4.221 5 1 JIBF CN[C@]1(C(=O)OC)C[C@H]2C[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356790685 FVXOMLUAKMELPE-LNRIOIPUSA-N 478.552 4.341 5 1 JIBF O=C(NCCCCc1ccccc1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 103765580 AJVHLBIZFWJCAE-LITSAYRRSA-N 498.583 4.339 5 3 JIBF aggregator CCc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620728 FYOFTOUBCOMHBH-UHFFFAOYSA-N 484.490 4.141 5 1 JIBF CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587665932 ULSZMIHVNBJJTB-UHFFFAOYSA-N 475.461 4.421 5 1 JIBF Cc1ccc(-n2cc(COc3cccc(-n4c(C)nc5ccccc5c4=O)c3)nn2)cc1[N+](=O)[O-] 1857771618 TULCSJZBXIFQOW-UHFFFAOYSA-N 468.473 4.070 5 1 JIBF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 13878901 BQZUFIHXKCQHOK-NRFANRHFSA-N 466.925 4.249 5 3 JIBF CS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl 31501468 JWYJVZWICQYOBC-UHFFFAOYSA-N 475.188 4.371 5 1 JIBF CCC[C@H](NC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1)C(=O)c1nc2ccccc2o1 34313375 QPVVHYZSPYMYMQ-FQEVSTJZSA-N 492.532 4.337 5 1 JIBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 587409946 OKQOFNXHYSKGLJ-NRFANRHFSA-N 498.513 4.277 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)o1 587551438 FJCGVDXWDXSHKF-NQIIRXRSSA-N 467.821 4.495 5 1 JIBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82149286 LOXMSYGYDNKWOD-CALCHBBNSA-N 489.532 4.193 5 1 JIBF CN[C@H]1C[C@@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 149396479 HKSZLNNOFSGOKW-TUNJNWRGSA-N 466.541 4.354 5 1 JIBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCc3ccccc3)cc2[nH]1 587266633 MDWZOAQZMTWVJH-PEBXRYMYSA-N 463.450 4.492 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccncc3)c(C(C)=O)c2c1 587621082 ONUOCULEXFSUTF-UHFFFAOYSA-N 466.475 4.150 5 1 JIBF Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 587657367 UWFJRIOLZMVQJT-UHFFFAOYSA-N 451.385 4.278 5 1 JIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 587867031 QHATXUMDIADEED-UHFFFAOYSA-N 471.189 4.332 5 1 JIBF CCOC(=O)c1ccccc1[C@@]1(c2ccc([N+](=O)[O-])cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963032863 VOMKTBIEWKDTDR-XGCWNURASA-N 471.513 4.117 5 1 JIBF CC(=O)Nc1ccc(OC(=O)c2ccccc2N(CCO[N+](=O)[O-])c2ccc([N+](=O)[O-])cc2)cc1 98084371 FSAWICRPWXBQJA-UHFFFAOYSA-N 480.433 4.119 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)C(F)F)c2c1 587620530 VCPMUQUICKGJLN-UHFFFAOYSA-N 475.376 4.271 5 1 JIBF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1 653798207 AMGFBSMVLAHKRN-CMJOXMDJSA-N 493.495 4.182 5 1 JIBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 587269642 KWEWLAKVTXTDEO-UHFFFAOYSA-N 464.707 4.302 5 1 JIBF Cc1ccc(Cn2cc([N+](=O)[O-])c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1 587661076 MBNZPTYYRKADFN-UHFFFAOYSA-N 483.459 4.353 5 1 JIBF CCOc1ccc(-c2nn(C(=O)[C@@H](CC)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)cc1OCC 587668887 HQTQWBUHKGZOJL-HXUWFJFHSA-N 491.504 4.257 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747153 MRPXCQOFIXNWAX-PRWKNARSSA-N 466.307 4.283 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82148756 ZJVQCNKJUNEIHW-BGYRXZFFSA-N 499.612 4.049 5 1 JIBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1Cl)c1cccc2c1OCCO2 169333371 XFRYVBLZKUQTHU-HJWRWDBZSA-N 455.854 4.243 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ccc(C(F)(F)F)n3)c2c1 587619890 MBNOJVPTTXLVPC-UHFFFAOYSA-N 495.439 4.398 5 1 JIBF CCOc1ccc(-c2csc(NC(=O)CCN3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)n2)cc1 1857540046 YSDBIXURORQZRL-UHFFFAOYSA-N 495.605 4.263 5 1 JIBF O=C(Nc1ccccc1)Nc1ccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1 28656008 JSNWSVCFUBFHCB-UHFFFAOYSA-N 487.903 4.289 5 1 JIBF Cc1c(-c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cccc1[N+](=O)[O-] 587261162 WWPZKFAQHYEZIN-UHFFFAOYSA-N 484.560 4.446 5 1 JIBF COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511071 MXPBWGREHOZNBG-PPNCUWOSSA-N 497.544 4.156 5 1 JIBF COc1cc2c(cc1OC)S[C@@H](C(=O)C[C@@H](O)C1CC[N+](C)(Cc3ccccc3)CC1)C2 38151245 RUCMPVRFPBFNLE-KIBBWGSISA-N 456.628 4.098 5 1 JIBF CSc1ccc(Cc2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)o2)cc1 64436920 HMZMADVJJPVIEF-UHFFFAOYSA-N 457.581 4.206 5 1 JIBF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3cc([N+](=O)[O-])ccc23)n1 587647767 OSDWKLPLAUTPGG-UHFFFAOYSA-N 478.461 4.291 5 1 JIBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Br)cc1[N+](=O)[O-] 587654314 RYFFCQVDNWCDLM-UHFFFAOYSA-N 459.206 4.397 5 1 JIBF C[C@](O)(COc1ccccc1OC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857584513 OHBKIDFJJFHOPD-INIZCTEOSA-N 468.306 4.281 5 1 JIBF O=C(NCCN1CCCCC1)c1ccc2c3c1nc1ccccc1c3[nH]n2CCN1CCCCC1 26983550 KVHCRILFYPKXOQ-UHFFFAOYSA-N 472.637 4.372 5 1 JIBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586946902 VBMVGCLUMLSSDG-INIZCTEOSA-N 473.558 4.092 5 1 JIBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587090973 CZVLJIXSKUNWEI-UHFFFAOYSA-N 451.239 4.401 5 1 JIBF Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cncc([N+](=O)[O-])c5[nH]4)c3n2)cnn1C 587128938 GBJVCNFGZVXSPE-UHFFFAOYSA-N 479.451 4.183 5 1 JIBF O=c1nc(N2C[C@H]3C[C@@H]2CN3CC2CCCCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857551751 TVJRGGUZGAXNTP-HUUCEWRRSA-N 468.501 4.427 5 1 JIBF C[C@@](O)(COc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857595941 SYZSLFJPTDBMGH-MRXNPFEDSA-N 452.307 4.401 5 1 JIBF N=c1cc[nH]cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587249877 RBMFHMZLBPLNRJ-UHFFFAOYSA-N 464.437 4.319 5 1 JIBF CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961117 QTLMUJWFYRUYAX-HSZRJFAPSA-N 478.467 4.462 5 1 JIBF Cc1c(Cl)cccc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1 2462735 SEOVFPNGIRFJCB-RBUKOAKNSA-N 467.890 4.371 5 3 JIBF aggregator Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3 586948298 GPAIOQPNLUQRFS-UHFFFAOYSA-N 466.475 4.019 5 1 JIBF O=C(O)c1nn(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1I 587186558 ZBOCNFNLHZKCND-UHFFFAOYSA-N 468.254 4.417 5 1 JIBF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O 587431369 DMDZALNKDNCNJO-SIBVEZHUSA-N 475.453 4.362 5 1 JIBF O=[N+]([O-])c1ccccc1-n1cc(-c2cccc(Nc3ncnc4cc5c(cc34)OCCO5)c2)nn1 1857616300 RATHBCJOQLNQIV-UHFFFAOYSA-N 467.445 4.301 5 1 JIBF CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055159 JFBHBDCAALUNHX-CTNGQTDRSA-N 479.364 4.451 5 1 JIBF COC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587577637 TYJOIAGWOAOTQM-WMZHIEFXSA-N 450.403 4.356 5 1 JIBF O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccccc3C(F)(F)F)[C@@H]12 653692040 OAWJWSBLZBWBMI-WLENULPWSA-N 451.404 4.221 5 1 JIBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 27725288 NGURHUORMNXUGO-SQYHMDOVSA-N 468.510 4.452 5 1 JIBF COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC 587574690 GKJYQGIWMAQHGQ-URXFXBBRSA-N 451.431 4.281 5 1 JIBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 587264320 LIAOFXALDHRSPJ-WJWGPLDTSA-N 470.667 4.329 5 1 JIBF CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1[N+](=O)[O-] 587749103 XAUZVTGSZVEYKU-MQJDWESPSA-N 489.301 4.091 5 1 JIBF O=C(NCCCCc1ccccc1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 103765541 UZSJSDASZRZPIR-WNJJXGMVSA-N 498.583 4.339 5 3 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)N1 587749738 FDUAKJISQSEMOH-FKIZINRSSA-N 461.291 4.353 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 15936215 CQFXTIDLYAJFGG-QHCPKHFHSA-N 460.534 4.378 5 3 JIBF C/C(=C/Sc1sc([N+](=O)[O-])cc1[N+](=O)[O-])n1c(C(=O)c2ccc(Cl)cc2)noc1=O 40952099 WAXKKXISETXVIA-FPLPWBNLSA-N 468.856 4.209 5 1 JIBF O=C([C@@H]1CCCCN1Cc1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66148720 FZECPIBQWJVZLT-SANMLTNESA-N 458.562 4.451 5 1 JIBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccc(Br)cc1 1772654053 RUBSUEJBRQYMCA-SFHVURJKSA-N 491.345 4.385 5 1 JIBF CCOC(=O)C1=C(COC(=O)c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169723441 OKCUJCHXFIGAPX-FCHUYYIVSA-N 494.500 4.006 5 1 JIBF CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743789 BMKGHICYMAASRK-YUNKPMOVSA-N 451.292 4.227 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2cc(C=O)n(C)c2)N1 587750355 HTUALTMVUXARQP-XMHCIUCPSA-N 472.314 4.474 5 1 JIBF O=[N+]([O-])c1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc(I)c1O 963115198 UVZZBDAFEXWXNW-CQSZACIVSA-N 465.074 4.447 5 1 JIBF O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 3933594 CFPVEUFKLQKJRS-QICJACQXSA-O 467.680 4.404 5 1 JIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c1)O2 587409190 KVNMHERSMALXFK-JOCHJYFZSA-N 452.488 4.166 5 1 JIBF O=C(NN1C(=O)c2ccccc2C1=O)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 1911575685 ADIDYEXDPQMDLQ-UHFFFAOYSA-N 477.436 4.232 5 1 JIBF CCCCOCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080982 UJCXXEAAASXFPY-NRFANRHFSA-N 497.573 4.419 5 1 JIBF Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 84707385 KSJPANOFHAQMDD-HXUWFJFHSA-N 486.575 4.209 5 1 JIBF CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)CC1 962963120 XNUWYPXBYITMIT-QHCPKHFHSA-N 490.526 4.106 5 1 JIBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCC(C(=O)O)CC2)ccc1[N+](=O)[O-] 13553374 UXNUWZCKACDTJY-GTCCEBARSA-N 461.559 4.312 5 1 JIBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccc(F)c(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723530 WHUQHLYHGSJNGE-TZIWHRDSSA-N 458.417 4.238 5 1 JIBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1N 4080454 BZFQGRRVQZDGOT-XZOQPEGZSA-N 468.510 4.236 5 1 JIBF NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82174566 FHGWETADIYGZQX-OAHLLOKOSA-N 460.519 4.030 5 1 JIBF COc1cc2c(cc1OC)[C@H](c1cc(F)cc([N+](=O)[O-])c1)N(C(=O)c1ccccc1N)CC2 963156226 OZJALALYJGTUNK-QHCPKHFHSA-N 451.454 4.121 5 1 JIBF CC(=O)c1c(C)cc2oc(=O)cc(C)c2c1OCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1857655374 DAHFRCCKERJNGP-UHFFFAOYSA-N 479.533 4.112 5 1 JIBF CCOc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82135490 NMABASWQJXXAKP-UHFFFAOYSA-N 491.548 4.350 5 1 JIBF C[C@H](n1cnc(Sc2ncccc2[N+](=O)[O-])n1)[C@@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963099666 ATHZBZUEJTYADP-PGKMIFDNSA-N 454.531 4.369 5 1 JIBF COc1cc(OCC(C)C)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 40952159 SVCKNHDKHYLVFL-UHFFFAOYSA-N 487.604 4.039 5 1 JIBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 587266594 LHVVRSJDQSVJHO-FIKIJFGZSA-N 459.422 4.010 5 1 JIBF CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 95566136 DSXCMHIMULWTCP-OAQYLSRUSA-N 489.502 4.312 5 3 JIBF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccncc2[N+](=O)[O-])N1C(=O)c1ccc(Cl)cc1 963022145 OHHQJPOZGCVULZ-DENIHFKCSA-N 476.876 4.366 5 1 JIBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207624 CGDSQQDHBOJFLL-WQZMEWCLSA-N 478.332 4.413 5 1 JIBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586935895 JOWVEVFIULXIMQ-SFHVURJKSA-N 463.588 4.432 5 1 JIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587267811 RIEJBCUJZZPZEW-GFCCVEGCSA-N 494.455 4.405 5 1 JIBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O 587434683 YJNASLWMCKLHTI-YADARESESA-N 495.532 4.149 5 1 JIBF COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511067 MXPBWGREHOZNBG-MHLNXUHPSA-N 497.544 4.156 5 1 JIBF O=C(Nc1ccc(C(=O)Nc2cccc3cccc(S(=O)(=O)O)c23)cc1)c1ccc([N+](=O)[O-])cc1 1772630604 HFIJCWCLEQOFQY-UHFFFAOYSA-N 491.481 4.499 5 1 JIBF O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)nn1C[C@H](O)COc1cccc2[nH]c3ccccc3c12 64447369 ALSFTRAUZHVOMP-KRWDZBQOSA-N 472.457 4.231 5 1 JIBF CC(C)CCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br 587260635 XAEHTROYYBBWHI-MELADBBJSA-N 452.349 4.411 5 1 JIBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN1CCCC1 4212018 KWVBRORTAGNJBQ-ZEQRLZLVSA-N 490.601 4.228 5 1 JIBF COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 587270243 KUEFMDYXJWALNW-UHFFFAOYSA-N 452.492 4.066 5 1 JIBF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCn1c([N+](=O)[O-])cnc1C 587390967 TVJWOLWIJDQLTD-OAQYLSRUSA-N 466.494 4.175 5 1 JIBF Cc1ccc([C@]2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 17198264 XRMVGCUDTXEHCY-JOCHJYFZSA-N 455.854 4.010 5 1 JIBF CCCN(Cc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12)S(C)(=O)=O 101151366 YYXDAAHBKAJLJF-UHFFFAOYSA-N 475.680 4.340 5 1 JIBF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc([N+](=O)[O-])cn1 587754625 ZJWLRTOVLXHGMQ-QKVFXAPYSA-N 475.318 4.373 5 1 JIBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1cccc(Br)c1 1772580646 UWFFDBPYTBAMIP-GOSISDBHSA-N 491.345 4.385 5 1 JIBF CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CCCCCNc2ccc([N+](=O)[O-])c3nonc23)C1 95587571 GDIVWRNNXLWAKH-HNNXBMFYSA-N 479.474 4.336 5 1 JIBF CC[N@+]1(C)CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 299849245 BCRZUMBMWZIXRV-HJFSHJIFSA-O 457.435 4.318 5 1 JIBF O=C(O)c1cc2[nH]c([C@H](O)C3CCOCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586913164 IXNUKIJBKMPKEI-RUZDIDTESA-N 486.480 4.305 5 1 JIBF CC(C)(C)C1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1 1772625383 LXXJCYWGAGIGNV-UHFFFAOYSA-N 451.570 4.355 5 1 JIBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccc(Br)cc1 1772654052 RUBSUEJBRQYMCA-GOSISDBHSA-N 491.345 4.385 5 1 JIBF CC[S@](=O)c1ccc(Nc2ncnc(N3CCC(c4nc(C(C)C)no4)CC3)c2[N+](=O)[O-])cc1 40874085 LRRVBSWONIPJOF-UUWRZZSWSA-N 485.570 4.146 5 1 JIBF Cc1onc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079078 GRFJYAZYCZVNCW-UHFFFAOYSA-N 473.621 4.373 5 1 JIBF COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342326 NAWDTUCJPPXMFH-NOZRDPDXSA-N 465.433 4.343 5 1 JIBF CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587744807 FSIHPBSBQNLMKD-MPBGBICISA-N 451.292 4.227 5 1 JIBF C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 767129 XVNYNXRFNGMDNB-DXHOUVOYSA-N 477.448 4.432 5 1 JIBF COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NCc1ccc([N+](=O)[O-])cc1)CC2 95572236 UWIWXAQIECQOSK-NRFANRHFSA-N 492.528 4.434 5 1 JIBF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1Cl 586963707 NKIICUYIQVSHGY-UHFFFAOYSA-N 460.878 4.395 5 1 JIBF Nc1ccc(-c2ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3c2)cc1N 587270661 XXKJAKKMFQPOSR-UHFFFAOYSA-N 456.506 4.322 5 1 JIBF O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661579 QTYXSDHFASPFOI-UHFFFAOYSA-N 469.432 4.044 5 1 JIBF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccc([N+](=O)[O-])n1 587750113 GPSYDGALDCITIP-QKVFXAPYSA-N 475.318 4.373 5 1 JIBF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5cc6oc7ccccc7c6cc5oc2c34)C1 5596441 MVQGDECFIIBKAY-LBPRGKRZSA-N 471.444 4.473 5 1 JIBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1ccc(Br)cc1 299849292 FUQAETOLINWHNR-CUDBPUKSSA-N 464.319 4.370 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc([N+](=O)[O-])c1O 587540512 PCILSVWXQRLAQZ-JXFKEZNVSA-N 458.220 4.471 5 1 JIBF CC1=C([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)[C@H](c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 963117214 CUNUHMAHBQSKEZ-UNMCSNQZSA-N 471.348 4.496 5 1 JIBF CCOC(=O)c1cc2cc(N3CCN(C(=S)Nc4ccc([N+](=O)[O-])cc4)CC3)ccc2o1 299823651 SBNWUJWCMOPMKQ-UHFFFAOYSA-N 454.508 4.037 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586946526 ZQZPYLTUXCKQSC-UHFFFAOYSA-N 483.325 4.034 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)N1 587753383 VNMHGUGPNZJFIU-ODXCJYRJSA-N 461.291 4.353 5 1 JIBF O=C(NCC1CCN(Cc2nc3ccccc3s2)CC1)c1cc([N+](=O)[O-])c2cccnc2c1O 1857756764 QVOSCOAMLMFPKW-UHFFFAOYSA-N 477.546 4.100 5 1 JIBF CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 73218901 JANRMCXRMGOMQW-FQEVSTJZSA-N 452.400 4.063 5 1 JIBF NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc([N+](=O)[O-])c3)cc(-c3ccccc3)n2)CC1 299820852 HHSZSCUMRNHHCV-IRJFHVNHSA-N 460.538 4.368 5 1 JIBF CN[C@@]1(C(=O)OC)C[C@H]2C[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356790686 FVXOMLUAKMELPE-QCUADDGVSA-N 478.552 4.341 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NN/C=C1\C(C)=Nc2ccccc21 100564976 OVQIKNGGKSNQLG-NBVRZTHBSA-N 479.518 4.468 5 3 JIBF CO[C@H]1[C@@H](O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 14714904 OSJFVOAURBIGTC-SFDUFSHASA-N 453.498 4.127 5 1 JIBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 103244256 HFFKYLVSBPUGQC-LZWSPWQCSA-N 474.492 4.348 5 1 JIBF CCCc1c2nc(C(=O)O)cc(NC(=O)Nc3ccccc3)c2cc2c(=O)cc(C(=O)O)oc12 29230805 WWFMINPAMCBWDY-UHFFFAOYSA-N 461.430 4.334 5 1 JIBF COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82147778 KDPZYJULCIYAFR-JHOJWFKBSA-N 467.570 4.301 5 1 JIBF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)ccc2s1 587035297 RNCFSBQHITVKNG-UHFFFAOYSA-N 472.454 4.157 5 1 JIBF Cc1c(Cl)cccc1N1C(=O)[C@@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1 2462738 SEOVFPNGIRFJCB-OALUTQOASA-N 467.890 4.371 5 3 JIBF aggregator CCO/C(O)=C1\C(COCCc2ccncc2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 27711854 CKYYMTIQQDUUHD-LFIUJEBDSA-N 481.505 4.040 5 1 JIBF CCOC(=O)c1ccc(OCc2cn(-c3c([N+](=O)[O-])cnc4ccc(Br)cc34)nn2)cc1 103271672 KISGOJLLDIFQMS-UHFFFAOYSA-N 498.293 4.242 5 1 JIBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 587264683 PKQCAZXATNIPJM-WJWGPLDTSA-N 470.667 4.329 5 1 JIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)N1 587747095 LYRAYNPFZNFZFS-WHEQGISXSA-N 478.362 4.329 5 1 JIBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC 4153883 ZBOXRGIXWKYXDR-OIRDLVSDSA-N 489.956 4.262 5 1 JIBF O=C(NC[C@H]1CCCN(Cc2nc3ccccc3s2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O 473096925 BFYYEERFXQGFOZ-OAHLLOKOSA-N 477.546 4.100 5 1 JIBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 49781478 ROJXAKIYKFGECC-JOCHJYFZSA-N 470.909 4.442 5 1 JIBF C[C@H]1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3o2)CCN1CC1CCCCC1 1857576028 JYYWDNHQGOZTMJ-ZDUSSCGKSA-N 454.449 4.206 5 1 JIBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3cccc(CO)c3)cc(Cl)cn12 1857770688 YRKJIAQCPIMGEF-UHFFFAOYSA-N 457.895 4.029 5 1 JIBF O=c1oc2ccccc2c(O)c1C(c1cc([N+](=O)[O-])ccc1O)c1c(O)c2ccccc2oc1=O 40391095 ZFYAQCFDZHJAFS-UHFFFAOYSA-N 473.393 4.105 5 1 JIBF CC1CCN(C(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135703 XMOMMIXIXWSANS-UHFFFAOYSA-N 475.505 4.265 5 1 JIBF CC(=O)c1cc(C(C)=O)c(OC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cccc([N+](=O)[O-])c1 103176838 DTUIMDOLXCOQIK-UHFFFAOYSA-N 492.396 4.347 5 1 JIBF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccc([N+](=O)[O-])n1 587749669 FCGTWESWGYGCHZ-LAJNKCICSA-N 475.318 4.373 5 1 JIBF COc1cc(C[C@H](O)c2ccc(-c3cc(C(F)(F)F)nn3C)cc2)c([N+](=O)[O-])cc1OC 1857762644 IXSXNWYTNJTEMB-KRWDZBQOSA-N 451.401 4.307 5 1 JIBF CO[C@H]1[C@@H](O)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 100302634 PALHDCQITMKWPC-IPKXLFRFSA-N 453.498 4.127 5 1 JIBF in-vitro Cc1onc(-c2nc3c(Cl)ncc(Br)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079950 PNHGRMZRSCQSDP-UHFFFAOYSA-N 473.074 4.144 5 1 JIBF CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O 587622887 IWFHLUKHRYVWFA-UHFFFAOYSA-N 487.266 4.137 5 1 JIBF Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2ncc3ccc(Cl)cc3c2=O)c(C)c1 587653502 AYLTUPWONUJNRA-UHFFFAOYSA-N 484.921 4.365 5 1 JIBF CC/N=c1/cc2oc3cc(NCCC(=O)N[C@@H](C(=O)OC)C(C)C)c4ccccc4c3nc-2cc1C 29057760 LFCHELZYXSLVPZ-JDLXPMTISA-N 488.588 4.431 5 1 JIBF COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c(OC)c1OC 299837796 KXFDFCDDPIGSRW-SFHVURJKSA-N 455.470 4.177 5 1 JIBF CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])ccc3O)c(=O)c3ccccc23)cc1OCC 587668417 BRVOCBNLPJDTPN-UHFFFAOYSA-N 475.457 4.163 5 1 JIBF Cc1ccnc([C@@]2(c3cccc([N+](=O)[O-])c3)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962666197 MJBGHLVWCVYZSH-KAYWLYCHSA-N 468.513 4.237 5 1 JIBF CCC(CC)Nc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 13878942 CYOKRZDLGMGUDT-LJQANCHMSA-N 491.386 4.233 5 3 JIBF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCc2ccccc2N)cc1 4077855 XTERHDQHGUCBQH-VWNXMTODSA-N 493.951 4.305 5 1 JIBF O=[N+]([O-])c1cccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)c1 103247842 PPZCKHVGKBFGRM-UHFFFAOYSA-N 465.517 4.199 5 1 JIBF COc1cc(N)c(I)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587180352 NKTXLPRMEFOWGI-UHFFFAOYSA-N 489.067 4.096 5 1 JIBF CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 29038733 NLNAFNZFBHZFQC-AYPBNUJASA-N 493.995 4.038 5 1 JIBF CCCCOCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82081091 NNJWIGZSFOFCLZ-HXUWFJFHSA-N 497.573 4.419 5 1 JIBF COc1ccc2c(c1OC)C[N@+]1(CCCCCC(=O)O)CCc3cc4c(cc3[C@@H]1C2)OCO4 1857558929 HHUNSMJXLZOMGF-IDISGSTGSA-O 454.543 4.248 5 1 JIBF COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587748200 SPXOBXIGNSWJTE-ODXCJYRJSA-N 451.292 4.032 5 1 JIBF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc([N+](=O)[O-])cn1 587753346 VFACSOOCZLQIRY-GTJPDFRWSA-N 475.318 4.373 5 1 JIBF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=S)S[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 1857652184 GQUBATSDZRRGEJ-JYJNAYRXSA-N 458.005 4.370 5 1 JIBF O=C1C[C@@H](c2cccc(Br)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccncc1 13521524 JPGAJGWNMXXUEW-WWNPGLIZSA-N 482.334 4.452 5 1 JIBF CS(=O)(=O)c1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925245 GEMFRXHZMZVANK-UHFFFAOYSA-N 455.879 4.426 5 1 JIBF Cc1sc2nc(COC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 9445018 ZDUYNBHHQXJOBI-GFCCVEGCSA-N 456.524 4.103 5 3 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587743931 CAQHRRMUMVAPTK-BIBXISHDSA-N 466.307 4.283 5 1 JIBF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nsc4cc([N+](=O)[O-])ccc34)CC2)CC1)c1ccco1 1772606161 SVQJCNSOIUXANV-IYARVYRRSA-N 483.594 4.298 5 1 JIBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC 773386 SUJWHTPQOPBJKB-FUHWJXTLSA-N 485.468 4.106 5 1 JIBF Cc1ncc([N+](=O)[O-])n1CCNC(=O)N1CCC(c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)CC1 13864319 HISHPKCGBGQDHI-UHFFFAOYSA-N 492.367 4.386 5 1 JIBF N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 587172827 NPMCBMHQTPPINE-AWEZNQCLSA-N 476.512 4.245 5 1 JIBF CC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 95569630 HCPJMNLUQWCEMK-SFHVURJKSA-N 489.502 4.479 5 3 JIBF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 96177301 WEAIIEYARJCNTR-UHFFFAOYSA-N 469.436 4.236 5 1 JIBF O=c1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)cn1Cc1ccccc1 587005973 CMGXJKMVUOWUHM-UHFFFAOYSA-N 470.239 4.019 5 1 JIBF CCS(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587058003 ZGVWHJPPQMXQEI-GOSISDBHSA-N 464.931 4.045 5 1 JIBF O=[N+]([O-])c1cc(Br)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587119081 VNYCCXKPOYKKHH-UHFFFAOYSA-N 483.042 4.454 5 1 JIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCn2cc([N+](=O)[O-])cn2)c1 587574666 GFFCULJBBZONOK-URXFXBBRSA-N 459.414 4.236 5 1 JIBF O=c1nc(N2CCC3(CCN(Cc4ccc[nH]4)C3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857604376 SOAVBQGSTAWKQK-UHFFFAOYSA-N 493.511 4.404 5 1 JIBF CC[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)Nc3ccccc3)[C@H]12)c1ccc(Cl)cc1 5767226 CGYCEJGQMYDKDT-PSUMKXQKSA-N 486.952 4.125 5 1 JIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(CNC(=O)N3c4ccccc4CCc4ccccc43)nn1)C2 100597463 OQOJTNWJUISUFK-JOZNFPNDSA-O 457.602 4.367 5 1 JIBF O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576659 PGKKNYSTQPWIFN-URXFXBBRSA-N 465.414 4.247 5 1 JIBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCC[C@@H]([N+](=O)[O-])C2)N1C(=O)c1ccc(Cl)cc1 963005199 AGVDGHNNNNJSBK-AAORUROXSA-N 467.909 4.388 5 1 JIBF CCCCNC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 82148251 FZOCOFVCCIOEIX-UHFFFAOYSA-N 493.564 4.278 5 1 JIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)nc2[nH]1 587055244 NRGRYUMEBOBGQA-AWEZNQCLSA-N 452.696 4.409 5 1 JIBF Cc1c(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cccc1[N+](=O)[O-] 587260682 ACODLFLVIYATBP-UHFFFAOYSA-N 498.587 4.489 5 1 JIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587270320 MCICMUPEGCEZKC-UHFFFAOYSA-N 486.893 4.317 5 1 JIBF COc1ccc(C(=O)N2CC(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@@H](CCc3ccccc3)C2)cc1 1857615391 AWMNYBXIRCUIAC-DEOSSOPVSA-N 473.529 4.089 5 1 JIBF Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1cccc([N+](=O)[O-])c1)c1c(C)[nH]n(-c2ccccc2)c1=O 100547565 CSZZLYHNHCKPJN-UHFFFAOYSA-N 481.512 4.350 5 3 JIBF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055052 YUAUKBDSWYGACQ-OPURJYLOSA-N 465.337 4.060 5 1 JIBF CC(C)Oc1cccc(-n2c(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 27894691 LHZKJEZIPBYEMH-UHFFFAOYSA-N 473.489 4.403 5 1 JIBF CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c(C(=O)OCC)n1 587648012 YGHRUPHOKOMLJG-UHFFFAOYSA-N 478.461 4.291 5 1 JIBF CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660391 CQYUXGCWRAMMLN-UHFFFAOYSA-N 496.520 4.131 5 1 JIBF O=C(c1cccs1)c1[nH]c2cc(Cl)ccc2c1Nc1nc(N2CCOCC2)ncc1[N+](=O)[O-] 1772635690 OKXHAYMHFVLVNN-UHFFFAOYSA-N 484.925 4.392 5 1 JIBF Cc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Br 587079540 KRRLBTRRXIEMCB-UHFFFAOYSA-N 451.668 4.404 5 1 JIBF CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2c1c(Br)cc1n[nH]cc12 587623103 KVOCTXXCINCHEK-UHFFFAOYSA-N 487.266 4.142 5 1 JIBF CN(C)C[C@@H]1C[C@@H]2O[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 29329203 ITGFRLUEPQFFQP-LKZCTYKCSA-N 450.498 4.395 5 1 JIBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H](C)O)cc1 586938988 ZKGSEQFSRNJMNC-OYHNWAKOSA-N 461.543 4.278 5 1 JIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587267480 KWMCEDQDHCBTHM-GFCCVEGCSA-N 460.903 4.040 5 1 JIBF O=C(CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)Nc1ncc([N+](=O)[O-])s1 653891179 UVWAVCSQUMEPTE-OAQYLSRUSA-N 471.970 4.050 5 1 JIBF O=[N+]([O-])[C@@H]1[C@H](Cc2cnc[nH]2)N[C@]2(c3ccccc3-c3nc4ccccc4nc32)[C@@H]1c1ccccc1 1911571090 LOSDALWTUOUYIS-ONRXEWETSA-N 474.524 4.221 5 1 JIBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)C(=O)OC2 586915867 SGYOCUYWSXUTKQ-NYYWCZLTSA-N 482.449 4.194 5 1 JIBF CNc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] 587431468 FKXAWUSRTHWOBQ-CJAUYULYSA-N 460.442 4.035 5 1 JIBF C[C@H](NC(=O)c1cc2c(=O)n3cc(Cl)ccc3nc2n(Cc2ccccc2)c1=N)c1ccccc1 1857641855 BLHILRPTNSSYME-KRWDZBQOSA-N 483.959 4.321 5 1 JIBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(I)c1O)CC2=O 587470196 FHALVWXWTRHWKK-MRXNPFEDSA-N 469.231 4.270 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CNC(=O)OC(C)(C)C)c2c1 587620788 GCXXQNJWZFIPLO-UHFFFAOYSA-N 490.538 4.219 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 253977462 KYKZJOSAKACDDO-LVNJIZSUSA-N 470.957 4.124 5 3 JIBF O=C(NC1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 587239851 OVPXBLWQCIFGRJ-UHFFFAOYSA-N 485.500 4.411 5 1 JIBF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206264 SRBBKKVDRKIEJM-OPURJYLOSA-N 465.337 4.060 5 1 JIBF COc1ccccc1CCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135945 KTJDYBOEXOLMJP-UHFFFAOYSA-N 463.538 4.125 5 1 JIBF CC[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc([N+](=O)[O-])cc1C 587657431 WRLKIYDXATXSIU-SFHVURJKSA-N 453.405 4.046 5 1 JIBF COc1ccc([C@@]2(C)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 962635251 UULBHNHASAMFRC-CPJSRVTESA-N 484.505 4.316 5 1 JIBF COc1cccc2c3c(cnc12)CCN[C@@]3(C[C@@H]1CCC[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 963061923 ZLXZRGMUEMWNJD-FTVBGQFJSA-N 461.518 4.432 5 1 JIBF Cc1cccc2c1[C@H](c1ccc(Cn3cc([N+](=O)[O-])cn3)o1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963854339 OLVPBCIMWOBALC-HXOBKFHXSA-N 496.520 4.467 5 1 JIBF COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82134350 MMEVDRXBBBCHGV-SLWXAUBPSA-N 467.570 4.301 5 1 JIBF Cc1ccc(CNc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82148770 UWQGTOPRVAKGHG-UHFFFAOYSA-N 487.472 4.224 5 1 JIBF COc1ccc2c(c1OC)[C@](CCC1OCCCO1)(c1ccc([N+](=O)[O-])cc1)N(C)[C@@H](C)C2 962566781 IYMHQIRPGQPNQB-GKVSMKOHSA-N 456.539 4.275 5 1 JIBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 13878834 GNEVGARCEMLZIF-HXUWFJFHSA-N 458.946 4.268 5 3 JIBF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587243929 CQHUFKXEILFBLY-UHFFFAOYSA-N 456.256 4.373 5 1 JIBF COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCCCN)ccc32)cc(OC)c1 64528438 KALNASLFDKJWCW-UHFFFAOYSA-N 459.546 4.288 5 1 JIBF COc1cc([C@H]2NCCc3c2sc(C)c3C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 963014311 USMSVKZRMHQQQA-OAQYLSRUSA-N 474.560 4.285 5 1 JIBF O=C(CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 1857602473 SPZSFDOUWNNZCG-UHFFFAOYSA-N 469.542 4.004 5 1 JIBF COC(=O)[C@@]1(O)C[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)OC1(C)C 28521633 NLHBZNOOVZNUPE-GDJIYFAZSA-N 483.524 4.274 5 1 JIBF in-vivo Cc1cc2c(cc1C)[n+](Cc1ccc([N+](=O)[O-])cc1)cn2Cc1c2c(cc3c1OCC3)OCC2 1772631674 JBTYUBZTLWTDJB-UHFFFAOYSA-N 456.522 4.420 5 1 JIBF O=[N+]([O-])c1ccc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)c(Cl)c3)n2)nc1 1772656316 RVDISRWUOVLUNL-UHFFFAOYSA-N 471.308 4.463 5 1 JIBF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc([N+](=O)[O-])cn1 587754626 ZJWLRTOVLXHGMQ-XUSGNXJCSA-N 475.318 4.373 5 1 JIBF COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN/C=C2\C(C)=Nc3ccccc32)cc1 100534500 CYNXVSNBTSZULN-XSFVSMFZSA-N 479.518 4.468 5 3 JIBF COC(=O)c1cc(Br)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 587136500 FZPNQTCXGIKPMP-UHFFFAOYSA-N 451.252 4.104 5 1 JIBF O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 8666493 YQVXIZKDSRAPOD-INIZCTEOSA-N 461.318 4.442 5 3 JIBF CN(C)CCCNC(=O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 26724987 HPCPUHOULFPBCQ-UHFFFAOYSA-N 467.573 4.130 5 1 JIBF CCOCCN(CCOCC)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148581 GLJRKBASBAINMB-UHFFFAOYSA-N 485.585 4.312 5 1 JIBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCc3ccccc3)cc2[nH]1 587266631 MDWZOAQZMTWVJH-FPTDNZKUSA-N 463.450 4.492 5 1 JIBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587048913 CTLOIWXNUOALBI-SREVYHEPSA-N 472.845 4.423 5 1 JIBF CC1=C(c2ccc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3c2)NNC(=O)C1 587119498 XHKIRNPANVWMQM-UHFFFAOYSA-N 497.437 4.157 5 1 JIBF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434790 ZRRWDAAGSCJBNQ-DWACAAAGSA-N 485.540 4.414 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 13878835 GNEVGARCEMLZIF-FQEVSTJZSA-N 458.946 4.268 5 3 JIBF COC[C@H]1C[C@H](COC)[C@@H]2N[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 27551040 KZUFDOMTNKRDOD-BSXKMYNKSA-N 494.551 4.315 5 1 JIBF O=C(NCCN1CCOCC1)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12 73129513 FSHMWBVEOHUNHN-UHFFFAOYSA-N 452.352 4.299 5 1 JIBF Cc1c(Br)ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 587263144 NIJMYYLUQSOKNU-UHFFFAOYSA-N 458.316 4.025 5 1 JIBF C[C@H](n1cnc(Sc2ncccc2[N+](=O)[O-])n1)[C@@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963099652 ATHZBZUEJTYADP-DDVAMESESA-N 454.531 4.369 5 1 JIBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C(=O)OC2 586915149 HHOVGFNLUQWORV-NYYWCZLTSA-N 455.442 4.425 5 1 JIBF COc1ccc(CCNc2ccc([C@H](CC(N)=O)NC(=O)c3cc(C)cc(C)c3)cc2[N+](=O)[O-])cc1 15936245 AEZIKUPXULQGJB-DEOSSOPVSA-N 490.560 4.221 5 3 JIBF Cc1c2c(c3oc4oc5c6c(c(O)cc5c4c(=O)c3c1O)OC(C)(C)[C@@H](O)[C@H]6O)C=CC(C)(C)O2 14823715 BAVSLOUVTXDGGF-MBSDFSHPSA-N 480.469 4.162 5 1 JIBF biogenic Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C(F)(F)F)cc12 101046676 BGMFAXNBXUEDNN-FPTDNZKUSA-N 491.422 4.147 5 1 JIBF Cc1c(I)cnn1[C@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587182566 QKUWTBSMEXIDRP-LLVKDONJSA-N 454.275 4.378 5 1 JIBF Cc1cc2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2cc1[N+](=O)[O-] 587109156 UGPIHOKUHYCCEQ-HNNXBMFYSA-N 454.430 4.324 5 1 JIBF Cc1nn(Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c(C)c1[N+](=O)[O-] 587577667 UERRUIFTWIUTDN-GBXCKJPGSA-N 461.430 4.458 5 1 JIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 587752302 QRKHGGVQJIDLTK-MPBGBICISA-N 461.291 4.353 5 1 JIBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccc(CO)cc3)cc(Cl)cn12 1857764748 QWFIGNPZSFTYMR-UHFFFAOYSA-N 457.895 4.029 5 1 JIBF CC(C)(CO)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774757 CRZVDUHDVOSRKF-UHFFFAOYSA-N 473.869 4.047 5 1 JIBF COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055636 GOBLFGOWZKGYDW-HKUYNNGSSA-N 452.294 4.146 5 1 JIBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccc(F)c(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 169723533 WHUQHLYHGSJNGE-FPOVZHCZSA-N 458.417 4.238 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587264795 TUEJTDCSJIXLPA-SNVBAGLBSA-N 487.412 4.116 5 1 JIBF COc1ccc2c(=O)c3cc(OC)c4c(c3oc2c1)O[C@@H](OC)[C@H](c1ccc(O)c(OC)c1)O4 238742981 UGBLMIVVSHFUSS-SQJMNOBHSA-N 466.442 4.163 5 1 JIBF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82216968 OMNDDZYDAPZLSF-SLWXAUBPSA-N 465.554 4.007 5 1 JIBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 586949120 QFYNDOWCZSWQKB-UHFFFAOYSA-N 461.862 4.435 5 1 JIBF O=[N+]([O-])c1cc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2cc1F 587107591 LQBPZKJZTVUCSN-AWEZNQCLSA-N 458.393 4.155 5 1 JIBF O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1c(CO)oc2cc(Br)cnc12 587276694 RVFBZORZKRTQIP-UHFFFAOYSA-N 473.235 4.394 5 1 JIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(O)c([N+](=O)[O-])c1 587539842 KEAZAOSUIPKWSS-UZLBHIALSA-N 458.220 4.471 5 1 JIBF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587573725 COWKIKIRICBPQB-RNXZCGPXSA-N 495.440 4.254 5 1 JIBF C[N@@+]1(C[C@@H](CC(=O)O)c2cccc(O[C@@H]3CCOC3)c2)CC[C@@H](CCc2ccc3c(n2)NCCC3)C1 1857618240 YWTMANCVOUNUAR-GKCMXXCNSA-O 494.656 4.265 5 1 JIBF CCOC(=O)C1=C(C)N=C(CCn2ccnc2)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 27731296 HXENAAPIKVNMIC-SSRRSSPNSA-N 454.483 4.063 5 1 JIBF CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82221445 YLMBVXOLWHZPIS-UHFFFAOYSA-N 460.519 4.390 5 1 JIBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc(Cl)c1)c1cccc2c1OCCO2 169337248 MZZPDGXVJTVQEK-FPLPWBNLSA-N 455.854 4.243 5 1 JIBF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC 587056770 LFLCWYLSIDWHMR-UHFFFAOYSA-N 453.842 4.456 5 1 JIBF COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431431 DYXZCWUVPAUMBY-KBMIEXCESA-N 475.453 4.458 5 1 JIBF CN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1772649156 XJIVMMRBTQMQRL-UHFFFAOYSA-N 461.478 4.174 5 1 JIBF Cc1ccc(-c2csc(NC(=O)CCN3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)n2)cc1 1857545253 YUEXFKNKSCJXMH-UHFFFAOYSA-N 465.579 4.173 5 1 JIBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OS(=O)(=O)c1ccccc1 96935113 JEZWEDPYPPFOGY-UHFFFAOYSA-N 486.525 4.495 5 1 JIBF O=[N+]([O-])c1cccc(Cl)c1Oc1cccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1 653912818 CTJWXNVZDGCCSX-INIZCTEOSA-N 476.942 4.338 5 1 JIBF Cc1c2c(c3oc4oc5c6c(c(O)cc5c4c(=O)c3c1O)OC(C)(C)[C@@H](O)[C@@H]6O)C=CC(C)(C)O2 14823714 BAVSLOUVTXDGGF-JPYJTQIMSA-N 480.469 4.162 5 1 JIBF biogenic CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 103341395 ZQSGUVZPLSWORF-RESXULKUSA-N 450.875 4.219 5 1 JIBF CC[C@H](C)NC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 82149969 AYGQLYLIAOFXPI-KRWDZBQOSA-N 493.564 4.276 5 1 JIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587261882 DNXZNUMGRALQGF-SECBINFHSA-N 479.243 4.493 5 1 JIBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576669 PITIOBLYRRFYQC-QPPBQGQZSA-N 464.430 4.058 5 1 JIBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ncccc3C)c2c1 587621027 LXJPCMWCTPSHCJ-UHFFFAOYSA-N 495.517 4.150 5 1 JIBF O=C(COc1ccc([N+](=O)[O-])cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655761 QIMXZNMDGVRULP-UHFFFAOYSA-N 455.348 4.108 5 1 JIBF CC(=N)N1CCC(Oc2ccc(NC/C(C)=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1 13441107 QSDWNTLRSZADID-YUGVOMFCSA-N 450.543 4.235 5 1 JIBF Nc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1[N+](=O)[O-] 13538381 SWTZOAIMNPAZIO-UHFFFAOYSA-N 485.504 4.267 5 1 JIBF COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCc3ccc(C)cc3)n2)cc1[N+](=O)[O-] 82195668 GCGROJHKLNPFKT-LJQANCHMSA-N 452.536 4.321 5 1 JIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c1)C2 113987189 OAMFSVZGPGCNNM-HNNXBMFYSA-N 453.348 4.474 5 1 JIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Br)c2[nH]1 587266649 MJNYBVCKEIPNFT-LURJTMIESA-N 486.080 4.472 5 1 JIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 587869000 ZSXGIRNMQYLTFC-GFCCVEGCSA-N 450.373 4.297 5 1 JIBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1ccc([N+](=O)[O-])n1 587578802 RVQGVHUZHQJQJE-DHLKQENFSA-N 473.441 4.257 5 1 JIBF CCOC(=O)c1ccccc1[C@]1(c2ccc([N+](=O)[O-])cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963032859 VOMKTBIEWKDTDR-SOKVYYICSA-N 471.513 4.117 5 1 JIBF O=[N+]([O-])c1ccc(CO[C@H](Cn2c[n+](Cc3ccc([N+](=O)[O-])cc3)cn2)c2ccc(F)cc2F)cc1 1857538219 XKZCYQIKEJJKSU-XMMPIXPASA-N 496.450 4.272 5 1 JIBF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4055272 SEPHBPOTFTVDHM-PZJWPPBQSA-N 461.902 4.274 5 1 JIBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587265684 HCKJVEJRWQOJKW-LRTDBIEQSA-N 461.434 4.144 5 1 JIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)N1 587752051 PSXCZPHBLFVDTF-YUNKPMOVSA-N 461.291 4.353 5 1 JIBF COc1cc(OC)cc([C@@H]2CC(=O)N(Cc3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2[N+](=O)[O-])c1 653722015 IZBGSSYNMRTYOF-DMDYGQEQSA-N 462.502 4.312 5 1 JIBF COc1ccccc1-c1onc(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84671029 WCVHNDFHGCOJAR-UHFFFAOYSA-N 456.886 4.183 5 1 JIBF Cc1cc(Cn2cnc3c2C[C@H](CO)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1[N+](=O)[O-] 13446961 QLBDWGIESLMQEQ-XMMPIXPASA-N 496.567 4.226 5 1 JIBF CN[C@@H]1C[C@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 100151756 HKSZLNNOFSGOKW-KSDGZXGSSA-N 466.541 4.354 5 1 JIBF in-vitro COCC[N+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 34802179 XEKBKFPFVCGCBX-KOBZZRQBSA-O 486.636 4.270 5 1 JIBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 586969942 RCFFSAXSKRXBPL-BETUJISGSA-N 495.521 4.228 5 1 JIBF O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]12 653689993 MIKPDEJYQWRQDW-WLENULPWSA-N 467.403 4.101 5 1 JIBF CCOC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962629082 IMXDHYDALLQFCY-RPLLCQBOSA-N 457.530 4.148 5 1 JIBF CC1=Nc2cc(=O)n(C(=O)c3ccccc3)n2[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)OC(C)C 100859272 XUSZXGKBKDVVCS-JDSGXEOOSA-N 462.462 4.137 5 1 JIBF COc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261139 VWBWKYJITJJGBU-UHFFFAOYSA-N 458.066 4.075 5 1 JIBF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)N1 587754671 ZYNVFBVJKJHFSQ-CYBMUJFWSA-N 462.319 4.162 5 1 JIBF Cc1cc(Nc2ccc(N3CCN(C)CC3)cc2)n2nc(SCc3ccc([N+](=O)[O-])cc3)nc2n1 1857543801 NDOIKZONHAFDLC-UHFFFAOYSA-N 490.593 4.129 5 1 JIBF CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4208895 PMPFLIDXLPZXPU-HKUYNNGSSA-N 466.321 4.128 5 1 JIBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 141545189 XHEATHCDTLUVIM-GIFXNVAJSA-N 491.544 4.034 5 1 JIBF COc1cc(Br)c([C@@H](N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC 586976008 RLIZEGGXOMGEMX-CQSZACIVSA-N 486.120 4.061 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 586920809 YZVWVDAAGZYKLZ-UHFFFAOYSA-N 480.218 4.106 5 1 JIBF NC(=O)c1cc(N2CCC(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263302 RDDFGEWAIXWZPF-UHFFFAOYSA-N 467.489 4.050 5 1 JIBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 15937542 AEHYAILICRDZLQ-QFIPXVFZSA-N 496.951 4.015 5 3 JIBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1=O 4214948 AECDNBKPCUPOEM-YADHBBJMSA-N 478.977 4.391 5 1 JIBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 586919694 DVTJDHOQIXNSLS-UHFFFAOYSA-N 464.219 4.226 5 1 JIBF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)cc2)cc1 586944940 SOWOXAYCFQABRN-UHFFFAOYSA-N 464.503 4.128 5 1 JIBF O=C(Nc1nc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1)c1cccc(O)c1 587019905 SBAKWPRKAHQPIN-UHFFFAOYSA-N 474.296 4.239 5 1 JIBF CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)C(F)(F)F 587617434 FQBYIJCMDMVCBO-UHFFFAOYSA-N 471.413 4.193 5 1 JIBF Nc1ccccc1CNC(=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 82081664 YTXVZVUVDXSFRN-UHFFFAOYSA-N 487.541 4.161 5 1 JIBF NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCN(Cc1ccc([N+](=O)[O-])cc1)C2 1857562290 NXYQEVXDWXWTLB-UHFFFAOYSA-N 470.938 4.219 5 1 JIBF O=C(NCc1ccc2c(c1)CCN(Cc1ccc(F)cc1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857652115 JLJOXOPMDKOIFW-UHFFFAOYSA-N 464.453 4.130 5 1 JIBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1[N+](=O)[O-] 586941885 XWPVRLSDXVQXDN-UHFFFAOYSA-N 485.385 4.051 5 1 JIBF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 586969421 KPKQTIKILQTFSP-ZIAGYGMSSA-N 450.524 4.320 5 1 JIBF CNc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] 587431473 FKXAWUSRTHWOBQ-IQGLISFBSA-N 460.442 4.035 5 1 JIBF CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587745730 KHHLBQSONMNKFK-QQKBFRNYSA-N 497.317 4.371 5 1 JIBF O=[N+]([O-])c1cccc(CN2CCC(n3cc(Cc4ccc(Br)cc4)nn3)CC2)c1 1857539011 AGPHPFAUCHBPIG-UHFFFAOYSA-N 456.344 4.377 5 1 JIBF Cc1c(Cl)cccc1N1C(=O)[C@H](N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1 2462740 SEOVFPNGIRFJCB-RTBURBONSA-N 467.890 4.371 5 3 JIBF aggregator O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccc(Cl)cc3)n[nH]c2c1=O)c1ccccc1 49036644 NCNYVILNRVTJHC-UHFFFAOYSA-N 486.875 4.399 5 1 JIBF COc1cc(OC)cc(-n2c(N)c(-c3nc4ccccc4n3C)c3ccc([N+](=O)[O-])cc3c2=O)c1 1652631 TWQFVWAXIUGJAB-UHFFFAOYSA-N 471.473 4.052 5 1 JIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C 587862744 GZSPOHKGHORZIK-NSHDSACASA-N 451.405 4.276 5 1 JIBF