smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)n1 6229112 AEYDYHKPOBIKGO-IZZDOVSWSA-N 439.453 3.146 5 50 IGBA CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3672089 WNLAQWLQGDAFBH-SJKOYZFVSA-N 435.414 3.482 5 50 IGBA O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1124905 AIOVDPLEMIOGQE-UHFFFAOYSA-N 425.466 3.368 5 50 IGBA O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 16399436 PNSSDGKCNINLIH-HDICACEKSA-N 440.500 3.020 5 50 IGBA CCc1cccc(CC)c1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 2876210 OFGXUACQRJTDBM-UHFFFAOYSA-N 435.502 3.133 5 50 IGBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CCN1S(=O)(=O)c1ccccc1 4162533 PHCKSQDWFOMUGX-SFHVURJKSA-N 444.557 3.485 5 50 IGBA COc1cc(C(CC(=O)O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC 12418224 RLJRQLXQVUWUQJ-UHFFFAOYSA-N 436.373 3.144 5 50 IGBA COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1I 13896587 GCYCNQUEMKHLIK-UHFFFAOYSA-N 448.238 3.317 5 50 IGBA Cc1ccc2nc(CNc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])cn2c1 253415391 XIDVVPYKGSDFQG-UHFFFAOYSA-N 429.502 3.338 5 50 IGBA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 6732293 QNZOSOHNEWCYFL-VCBXAZPMSA-N 432.410 3.461 5 50 IGBA COCCCNC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2668420 PZQNXXBBBQVQGD-UHFFFAOYSA-N 447.513 3.319 5 50 IGBA O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 9694210 RVRHHDYYSZAWOI-UHFFFAOYSA-N 441.403 3.373 5 50 IGBA COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)cc3C)c2)CC1 9971908 NXSNQIAIBWLUFC-UHFFFAOYSA-N 435.484 3.368 5 50 IGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c(=O)oc12 1075316 HAFSQNZBZVNQIM-UHFFFAOYSA-N 437.452 3.289 5 50 IGBA CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 9234594 PSFFETLGKAMQBE-WEVVVXLNSA-N 427.388 3.259 5 50 IGBA O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 2942689 LXZCLPIPAPWRBU-UHFFFAOYSA-N 430.372 3.435 5 50 IGBA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 6491950 YHPDPVVGNKRPQT-CXUHLZMHSA-N 432.410 3.463 5 50 IGBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 9010580 WCSTVDKUEKPMFP-UHFFFAOYSA-N 429.420 3.433 5 50 IGBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC[C@@H]4CCCO4)c3)CC2)cc1 9197222 WISBTPVIQNFPNZ-FQEVSTJZSA-N 440.500 3.157 5 50 IGBA O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 9065525 UBXCHRCQEZBZAJ-IBGZPJMESA-N 428.464 3.287 5 50 IGBA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1O 16361320 BMADEUSFNLZGCW-MRXNPFEDSA-N 432.820 3.229 5 50 IGBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1[N+](=O)[O-] 239038745 DVPFLIMJWPWIAV-XMTFNYHQSA-N 445.388 3.205 5 50 IGBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1I 170617417 MMHPOTBLCNDHFF-UHFFFAOYSA-N 440.165 3.278 5 50 IGBA COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 1195499 FTWYZBSCCHBQNX-NFJKTXFASA-N 426.428 3.480 5 50 IGBA CCc1ccc(OCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 1891975 FEWVYGFDYIMMMN-UHFFFAOYSA-N 447.494 3.464 5 50 IGBA O=C(Nc1ccc(Cl)c(Cl)c1)OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4012585 ZVWMMJYVIPQWSN-UHFFFAOYSA-N 434.257 3.429 5 50 IGBA CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C(=O)N=C1S 245254796 CAWPIMQXEPMBLE-PGRDOPGGSA-N 438.509 3.378 5 50 IGBA COc1ccc(Br)cc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 19889255 JGXXFWDEMKXQCL-UHFFFAOYSA-N 434.290 3.324 5 50 IGBA COc1cc(C=O)cc(I)c1OC(=O)c1ccc([N+](=O)[O-])cc1 1162921 LWILVWOHAKUXQK-UHFFFAOYSA-N 427.150 3.240 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 10060542 FGVNAQCMJDDDNQ-ZDUSSCGKSA-N 429.816 3.276 5 50 IGBA COC(=O)Cc1c(C)c2ccc(OCC(=O)c3cccc([N+](=O)[O-])c3)c(C)c2oc1=O 1120601 YTWVZOQOWPLEEH-UHFFFAOYSA-N 425.393 3.295 5 50 IGBA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)n1 1779625 AZMAITOPJQJZDO-UHFFFAOYSA-N 447.860 3.400 5 50 IGBA O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCN(S(=O)(=O)c2ccccc2)CC1 929084715 RMWSQUOCVQKBRA-UHFFFAOYSA-N 432.889 3.307 5 50 IGBA CNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 9891886 NEKRKCLMJZTUPO-UHFFFAOYSA-N 445.328 3.454 5 50 IGBA CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCC(=O)O)cc1 12381667 FOBCKHUBSQCUJZ-RGEXLXHISA-N 439.468 3.254 5 50 IGBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)c1 4522171 DREUHQAQUQXRJL-UHFFFAOYSA-N 433.467 3.196 5 50 IGBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1I 2980850 NAUBUSXDBLAOFZ-UHFFFAOYSA-N 445.213 3.465 5 50 IGBA Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 2978957 ALWSDRQHLOWUGO-ACSPXDACSA-N 439.468 3.290 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1N1CCCCC1 16424996 IULVRPTYLVZHCP-UHFFFAOYSA-N 436.559 3.158 5 50 IGBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C(=O)N(C)C)c1C 657229 KOVYIZFNVIPOKT-UHFFFAOYSA-N 425.850 3.359 5 50 IGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4ccc(C)c(C)c4)CC3)c(=O)oc12 1121209 HZDFWFRAYQUXSG-UHFFFAOYSA-N 437.452 3.289 5 50 IGBA O=C(O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 16247917 MJGGCGYBUPPFMU-HRZAVBMWSA-N 440.411 3.170 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(CCOc3nonc3-c3ccccc3)CC2)c2ncccc12 13896726 KLFVOMYALSMFCK-UHFFFAOYSA-N 446.467 3.394 5 50 IGBA CC(=O)Nc1ccc(S(=O)(=O)c2cc3c(=O)c4cc(Cl)ccc4oc3nc2N)cc1 170626164 KMNJGWCQUSXOIQ-UHFFFAOYSA-N 443.868 3.368 5 50 IGBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 2870455 LSJCMALZPSFLIW-UHFFFAOYSA-N 448.284 3.315 5 50 IGBA CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 245256792 SYYZSHSUUWGNRU-FSTATDAESA-N 445.475 3.461 5 50 IGBA Cc1n[nH]c(O)c1C(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1c(C)n[nH]c1O 252499264 RYAXRRXSRONQPR-UHFFFAOYSA-N 449.423 3.468 5 50 IGBA COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 8741468 IZEUOUANXZFUSF-UHFFFAOYSA-N 442.472 3.287 5 50 IGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239038820 DZEQQNBGZQZUPH-HXIANDDZSA-N 429.432 3.405 5 50 IGBA O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccc(Br)cc1 9934605 LKDXJRMYTCXMNN-UHFFFAOYSA-N 434.699 3.401 5 50 IGBA CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 9846625 KIRHDAVSZBKJKY-UHFFFAOYSA-N 448.932 3.484 5 50 IGBA Cc1cccc(-n2nc([N+](=O)[O-])c(Nc3ccc(I)cc3)[n+]2[O-])c1 16349914 RMZWETCJMVLJBG-UHFFFAOYSA-N 437.197 3.071 5 50 IGBA Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(Cc4ccco4)c3nc12 100627296 MHQNWKAQKJYVOG-UHFFFAOYSA-N 431.496 3.141 5 50 IGBA COc1c(O)ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)c1[N+](=O)[O-] 16349604 RMROLULPGGBUNK-INIZCTEOSA-N 428.470 3.049 5 50 IGBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C(F)(F)F)c1 242722972 YABQIIGFNSYPCZ-UHFFFAOYSA-N 432.376 3.427 5 50 IGBA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 3105452 XFMYTBARQCLKRB-UHFFFAOYSA-N 447.513 3.260 5 50 IGBA C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CC[C@@H](O)c4ccccc4C3)c([N+](=O)[O-])c2)C1 222208198 DNWBGKPRMMFMNQ-KSFYIVLOSA-N 445.541 3.459 5 50 IGBA Cc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 678163 YDLTXQKVPJNCPI-UHFFFAOYSA-N 439.493 3.415 5 50 IGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 10059729 KYUHMXKOSNOFGT-UHFFFAOYSA-N 439.515 3.007 5 50 IGBA Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c([N+](=O)[O-])c2Cl)cc1 12649560 KRCBKJYYEGVVFE-UHFFFAOYSA-N 435.849 3.333 5 50 IGBA CC(=O)Nc1ccc(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)cc1 38829442 SBQBJLNXHFNVPD-UHFFFAOYSA-N 437.459 3.102 5 50 IGBA O=C1[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4510961 RHLNRSGMTBMLNN-ZKKFKWFVSA-N 426.428 3.138 5 50 IGBA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1C 2861111 VNBFZQKHHTYUSX-UHFFFAOYSA-N 447.513 3.260 5 50 IGBA O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1117547 DOBSCZBZHXMBOK-UHFFFAOYSA-N 425.418 3.467 5 50 IGBA O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H](C(=O)O)c1ccccc1 170672766 BDXLODMDQAHJON-AWEZNQCLSA-N 425.363 3.400 5 50 IGBA Cc1cc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)ccc1Br 1061828 IHANSWSMDJHSAG-UHFFFAOYSA-N 442.291 3.070 5 50 IGBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Br)cc1F 1430647 GSBSFNJIRVIOAK-UHFFFAOYSA-N 436.035 3.403 5 50 IGBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cccc(I)c1 2982290 SXUMFNUIRQKBFO-UHFFFAOYSA-N 427.223 3.326 5 50 IGBA O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccccc2C1=O 16394029 GGGZREATRDDMKV-UHFFFAOYSA-N 436.468 3.365 5 50 IGBA CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)cc1 2835678 SKKDXVMEPGZPRU-UHFFFAOYSA-N 426.458 3.080 5 50 IGBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)n1 1015900 CZQKFRUTIAUJMN-UHFFFAOYSA-N 432.433 3.194 5 50 IGBA O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(O)cc2)C(=O)N1Cc1ccccc1 137585174 GZEQEFZTLJYHLO-FDFHNCONSA-N 445.431 3.347 5 50 IGBA O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 8854823 OYXBIPVIGMLNOH-MNJKBJKMSA-N 440.484 3.274 5 50 IGBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)C)c3)CC2)cc1 9971681 PJVYNMNFJSRLQD-UHFFFAOYSA-N 432.546 3.482 5 50 IGBA Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl 19202516 RNAQFUZWUHGIFW-LBPRGKRZSA-N 437.671 3.029 5 50 IGBA COCCNc1ccc(C(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[N+](=O)[O-] 253396952 OPPXWECBBJJOQV-OAQYLSRUSA-N 433.892 3.438 5 50 IGBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2cccnc2)ccc1Cl 8857472 KMYBQVIYOIMNRC-UHFFFAOYSA-N 446.872 3.374 5 50 IGBA COc1ccc(C)c2c1N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 110604542 RAAAILIRWXKIAQ-CQSZACIVSA-N 427.432 3.383 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(CCOc3ccccc3Cl)CC2)cc1N1CCOCC1 55526908 PVYLVFNPEKLIQR-UHFFFAOYSA-N 446.935 3.286 5 50 IGBA O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccc(Br)cc2)C2CCNCC2)cc1 725374818 QJPZRCWGKDYZHL-UHFFFAOYSA-N 440.319 3.305 5 50 IGBA CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCCCO[C@H]1CCCCO1 225843204 JIZPSMMJTLAECG-ROUUACIJSA-N 442.896 3.479 5 50 IGBA Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c1 229901354 QKPDXHQQDFESEK-CVDCTZTESA-N 434.452 3.088 5 50 IGBA Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c(O)c1 754968 KHKPWNSEHCTWAE-HXUWFJFHSA-N 445.431 3.455 5 50 IGBA O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 17976012 RVDJWRUDDQFPFI-RTBURBONSA-N 434.404 3.090 5 50 IGBA CNS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 328592911 VQWSIIKZMIVONS-FUHWJXTLSA-N 427.429 3.193 5 50 IGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 951457 OYUYVOHAGCEZPF-HXUWFJFHSA-N 445.431 3.449 5 50 IGBA O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 9581337 SBVGVAYAJMYSNC-UHFFFAOYSA-N 447.378 3.270 5 50 IGBA CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 3991693 YVXVTLGIDOACBJ-SFHVURJKSA-N 441.362 3.341 5 50 IGBA biogenic,in-vivo COC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 22289071 HLYMTRUDLJRPMN-LICLKQGHSA-N 428.422 3.383 5 50 IGBA COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 1194248 GAAXVYQNQCFKBA-ZKKFKWFVSA-N 426.428 3.480 5 50 IGBA COc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 9934667 AWSPMYBHKVRPKQ-UHFFFAOYSA-N 439.390 3.350 5 50 IGBA O=C(c1ccccc1)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 16393767 FHQBYYBGNFHTQR-KRWDZBQOSA-N 428.464 3.287 5 50 IGBA Cc1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1N 9242945 JELGKMSHTHKGSI-UHFFFAOYSA-N 426.498 3.150 5 50 IGBA C[C@H]1CCc2[nH]c3ccc(C(=O)NCCS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3c2C1 170594827 GZICDCWGBKCXIZ-AWEZNQCLSA-N 441.509 3.405 5 50 IGBA O=C(c1ccccc1I)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9554229 IPFQFCPJNNXZTJ-UHFFFAOYSA-N 437.237 3.162 5 50 IGBA O=C(NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 225669801 AELZQYXEZOLZJZ-GFCCVEGCSA-N 448.775 3.244 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239212592 SZXYXMSXHZEREB-HQZQWKOLSA-N 429.432 3.405 5 50 IGBA CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cccc(N)c1 9849858 PFBHRLHJAYMTNA-UHFFFAOYSA-N 428.474 3.195 5 50 IGBA CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 13946286 JWZWJMDEOUBTIG-UHFFFAOYSA-N 442.497 3.499 5 50 IGBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1 19852386 VCFFJGMDYZSIIT-UHFFFAOYSA-N 429.420 3.120 5 50 IGBA COc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 9891383 JWLXAMJINPZMIK-UHFFFAOYSA-N 443.378 3.481 5 50 IGBA Cc1cc(C(=O)NC(=S)Nc2ccc(I)cn2)ccc1[N+](=O)[O-] 1134376 ZTYGVKHZBDEWHY-UHFFFAOYSA-N 442.238 3.030 5 50 IGBA C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1 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CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C12CCC2 170638850 ATIXMRUJWLXGBI-ZIAGYGMSSA-N 430.242 3.277 5 50 IGBA COc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1122165 IXOBZFSQIJPTFY-UHFFFAOYSA-N 441.465 3.437 5 50 IGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 1073124 YUPMPBIVTRJVAC-UHFFFAOYSA-N 441.893 3.261 5 50 IGBA C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O 2891942 GAXKUUHNTKDJGS-RMENWYJGSA-N 439.468 3.253 5 50 IGBA COC(=O)c1ccc(OC(=O)C[S@](=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 6580078 DQWCKRMSORCXIS-GDLZYMKVSA-N 431.344 3.113 5 50 IGBA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCOCC2)cc1[N+](=O)[O-] 12731703 VLZKCKGIQFYCNP-NTMALXAHSA-N 434.452 3.328 5 50 IGBA O=[N+]([O-])c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1 15746291 HIRFAAAROUCSHV-UHFFFAOYSA-N 437.423 3.135 5 50 IGBA Cc1nn(-c2cc(N3CCN(C(=O)C(C)(C)C)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 4199564 DXJQAJAAWIBPIR-UHFFFAOYSA-N 449.511 3.297 5 50 IGBA COCCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 26964530 OYVNUDWBVZUXSH-HMMYKYKNSA-N 435.436 3.388 5 50 IGBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCO[C@H]1CCCCO1 225534721 PZJOMQSQYPLCSP-IBGZPJMESA-N 427.523 3.115 5 50 IGBA COc1ccccc1C(=O)N=[S@@]1(=O)CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 2332238864 ONGJEBJZCZSKOD-GDLZYMKVSA-N 438.893 3.170 5 50 IGBA O=C(O)c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)O)c([N+](=O)[O-])c1 4542425 GLQDWQVVIVSOTH-UHFFFAOYSA-N 449.375 3.496 5 50 IGBA Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c(=N)n3C3CCCC3)c(=O)n2c1 100633068 BVWZCPYJXDDNAD-UHFFFAOYSA-N 434.521 3.385 5 50 IGBA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 138563422 GOHDMJMWXUVVEM-OKZBNKHCSA-N 447.278 3.437 5 50 IGBA C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CC[C@@H](O)c4ccccc4C3)c([N+](=O)[O-])c2)C1 222208149 DNWBGKPRMMFMNQ-OPAMFIHVSA-N 445.541 3.459 5 50 IGBA O=C(NC(=S)Nc1cccc2ncccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16448716 VEHWWKIRQPHTPV-UHFFFAOYSA-N 437.481 3.106 5 50 IGBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CCC2 672874 JASRLHQUFSIVEJ-UHFFFAOYSA-N 426.454 3.429 5 50 IGBA COC(=O)c1c(C(=O)OC)c2cc(-c3ccco3)ncn2c1C(=O)c1ccc([N+](=O)[O-])cc1 19798675 XCFYZWVIDZUCHA-UHFFFAOYSA-N 449.375 3.307 5 50 IGBA COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1 9282078 VKQFSUWJDOQQET-UHFFFAOYSA-N 444.447 3.447 5 50 IGBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101696465 RXISNDPMGJSKJZ-NHUSPQTBSA-N 433.464 3.176 5 50 IGBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1I 672210 MBFXOLRXGLPQHS-UHFFFAOYSA-N 428.182 3.469 5 50 IGBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Cl 9906288 WYQTUITUOROUJV-UHFFFAOYSA-N 444.919 3.356 5 50 IGBA O=C(O)CCCC(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 19630680 XKYZVOWOAWNBEY-UHFFFAOYSA-N 439.877 3.002 5 50 IGBA CC(C)CN1CCC(Nc2nc(N)nc(NC3CCN(CC(C)C)CC3)c2[N+](=O)[O-])CC1 225650303 LJZCRKFBEORPGL-UHFFFAOYSA-N 448.616 3.032 5 50 IGBA Cc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Br)c1 850480 JKNYDJZRMHJGBA-UHFFFAOYSA-N 432.230 3.291 5 50 IGBA CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 2762072 ITQONYRGECIXCZ-UHFFFAOYSA-N 445.453 3.317 5 50 IGBA Cc1ccc(Cl)cc1NC(=O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 16425122 LEVZBCWMKQDKIG-UHFFFAOYSA-N 430.848 3.370 5 50 IGBA COCCCNC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 3000706 BVRUPILTNKOZHP-UHFFFAOYSA-N 447.513 3.319 5 50 IGBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101696475 RXISNDPMGJSKJZ-JPKZGUTDSA-N 433.464 3.176 5 50 IGBA COc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1I 1150953 OMVFGYWEACDLGZ-UHFFFAOYSA-N 441.177 3.248 5 50 IGBA O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 100736367 OHQJZGUTAFDIPH-JJRVBVJISA-N 443.765 3.352 5 50 IGBA O=[N+]([O-])c1cnc(N2CCOC[C@@H]2c2nnc(-c3ccccc3)o2)c(Br)c1 241121785 JDVVPZPRODWATK-CQSZACIVSA-N 432.234 3.380 5 50 IGBA COc1ccc(CNC2=NC(=O)C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3C)S2)cc1 8682410 HPMSEWWBWDKPEY-QGZVFWFLSA-N 428.470 3.028 5 50 IGBA CCOc1ccc(NC(=S)NC(=O)c2nn(CC)cc2Br)c([N+](=O)[O-])c1 8782549 PUKNLHKWHKXKMX-UHFFFAOYSA-N 442.295 3.099 5 50 IGBA O=c1[nH]c(/C=C/c2ccc(OCc3ccccc3)c(Br)c2)c([N+](=O)[O-])c(=O)[nH]1 9234655 PGHZLOLSSYIAHA-SOFGYWHQSA-N 444.241 3.483 5 50 IGBA CCCN(C)C[C@@H]1CCN(c2nc(C)c([N+](=O)[O-])c(N3CC[C@@H](CN(C)CCC)C3)n2)C1 222016946 KYMUBVHZOIJLJT-PMACEKPBSA-N 447.628 3.029 5 50 IGBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 19853417 VERQNLZNFYTOQK-UHFFFAOYSA-N 429.420 3.120 5 50 IGBA CN(C[C@H]1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl 225834550 AUEPGRZRIVDAGL-SNVBAGLBSA-N 427.704 3.200 5 50 IGBA CCOc1ccc(N2C(=O)C[C@H](SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 16447952 WXUSHRAFSVDKIK-SFHVURJKSA-N 443.481 3.387 5 50 IGBA COc1ccc(NC(=S)N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 2682768 YZAXVYHJMWNGBM-GFCCVEGCSA-N 443.740 3.358 5 50 IGBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cccc(I)c1 8916905 UBXNOYKKYUWWQS-UHFFFAOYSA-N 427.223 3.326 5 50 IGBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 9601702 PFNODJUWNZGABE-UHFFFAOYSA-N 444.557 3.404 5 50 IGBA O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 239338965 LMPLCZLZKDYKHQ-LVNJIZSUSA-N 448.431 3.170 5 50 IGBA O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1csc(-c2cccc3ccccc23)n1 778313589 KDGRQYFIWXIVPK-UHFFFAOYSA-N 440.462 3.385 5 50 IGBA COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 2796957 QNAZRVWPOFOWIV-UHFFFAOYSA-N 426.400 3.447 5 50 IGBA COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl 8445173 FSHFPFCUUWYLTP-SOFGYWHQSA-N 429.816 3.383 5 50 IGBA COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16381682 VNYRAHKWZBGQAV-UHFFFAOYSA-N 429.454 3.016 5 50 IGBA CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 252492630 MQYNPKSPQCLGMV-UHFFFAOYSA-N 447.922 3.080 5 50 IGBA O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1099246 PETCELBDGZFNBV-UHFFFAOYSA-N 440.433 3.435 5 50 IGBA O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 16383031 VEVHJLOBJUDEEQ-UHFFFAOYSA-N 425.466 3.368 5 50 IGBA COc1ccc(CNC2=NC(=O)C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3C)S2)cc1 9353607 HPMSEWWBWDKPEY-KRWDZBQOSA-N 428.470 3.028 5 50 IGBA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 101345789 STBMWAAWDGFORN-HTAPYJJXSA-N 449.573 3.423 5 50 IGBA CCOc1ccc2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1875258004 XSRDTFAVGBBMJX-HNNXBMFYSA-N 427.432 3.465 5 50 IGBA Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 1187920 ONQSCDNLKPRECB-VUUXHMSQSA-N 440.455 3.446 5 50 IGBA CCOc1ccc(-c2c(=O)n(OCc3ccc([N+](=O)[O-])cc3)c3ccccc3[n+]2[O-])cc1 2845527 KMTLJRVAEHGFMD-UHFFFAOYSA-N 433.420 3.238 5 50 IGBA aggregator Cc1c(N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C)C)c(=O)n(-c2ccccc2)n1C 2902580 VZXNLGDGEQYGRR-UHFFFAOYSA-N 439.428 3.356 5 50 IGBA Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1 229905997 FBUZACFTWAVIGW-RDPSFJRHSA-N 448.479 3.396 5 50 IGBA CCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cccc(C)c3nc21 100679216 NDCKAWUJSHMJGQ-UHFFFAOYSA-N 442.928 3.333 5 50 IGBA COc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)c([N+](=O)[O-])c1 13881281 MUXIEXKLQAURRY-UHFFFAOYSA-N 443.485 3.350 5 50 IGBA O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1 229903653 QHIVKBRVVQMSNR-UWJYYQICSA-N 440.843 3.043 5 50 IGBA CCOC(=O)N[C@@H](NC(=S)Nc1cc([N+](=O)[O-])ccc1OC)C(Cl)(Cl)Cl 3130708 ONZYDWBCUQTVLC-SNVBAGLBSA-N 445.712 3.332 5 50 IGBA O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1cc(N2CCNCC2)ccc1[N+](=O)[O-] 263639741 GWDPWPHUQDDCEQ-UHFFFAOYSA-N 443.813 3.002 5 50 IGBA CN1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@H]32)C1=O 245328703 WOFRBXRXDAHTHO-XTFZGKQASA-N 426.473 3.459 5 50 IGBA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 16003705 QTYJFTYJINJOKB-JLHYYAGUSA-N 433.486 3.286 5 50 IGBA COc1cc(-c2nnc(Cn3cc([N+](=O)[O-])c(-c4nccs4)n3)o2)cc(OC)c1OC 253427452 UGRGOXAHDIRHSR-UHFFFAOYSA-N 444.429 3.039 5 50 IGBA O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8991405 XBBOWWASKBUCMH-UHFFFAOYSA-N 444.451 3.418 5 50 IGBA COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OC(=O)c1ccccc1[N+](=O)[O-] 1165949 HPONBMWMFHLIED-UHFFFAOYSA-N 436.873 3.484 5 50 IGBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 100391821 YYGNSRHUKORFEV-UHFFFAOYSA-N 432.889 3.307 5 50 IGBA COc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)c([N+](=O)[O-])cc(c34)C2=O)cc1 4172223 CISIEIDINRIZBG-UHFFFAOYSA-N 433.420 3.394 5 50 IGBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1I 225694558 NLWQGUQAJPVYRS-UHFFFAOYSA-N 440.165 3.278 5 50 IGBA COc1ccccc1C(=O)NC(NC(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 1182041 VHZBCIRMICFDHP-UHFFFAOYSA-N 435.436 3.471 5 50 IGBA Cc1cc(Br)ccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9290498 AMIGQKRGKRNMIF-UHFFFAOYSA-N 434.290 3.393 5 50 IGBA O=C(c1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ncccc1[N+](=O)[O-] 104103876 OFFRLBINWIOXBJ-UHFFFAOYSA-N 437.324 3.293 5 50 IGBA COc1ccc([C@@H]2[C@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@H]2CCCO2)c(OC)c1 245225130 NKQSYAQTRNSYMG-UIFIKXQLSA-N 428.441 3.122 5 50 IGBA NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 16400355 CUFBUAUQJDIWIO-UHFFFAOYSA-N 439.902 3.083 5 50 IGBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100969760 GLCYRDXSNYNFEG-WZBLMQSHSA-N 433.420 3.167 5 50 IGBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(Cc4ccccc4)C3=O)[C@H]2C1 245255669 KFFPHOXYTVQCGS-VEQVNTQVSA-N 448.479 3.225 5 50 IGBA COc1ccc(NC(=S)N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 8687491 FPZDJMOTHRIVFY-LBPRGKRZSA-N 443.740 3.358 5 50 IGBA aggregator O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 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50 IGBA O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O)c1cccc([N+](=O)[O-])c1 990371 BLWQAVYSOWBKSY-UHFFFAOYSA-N 446.371 3.141 5 50 IGBA COC(=O)c1c(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])sc(C(=O)N(C)C)c1C 16361031 GKOCHEISAWDNRU-UHFFFAOYSA-N 440.478 3.401 5 50 IGBA O=C(NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CC1(c1ccccc1)c1ccccc1 22017775 ODTDGSHILYCCQQ-HXUWFJFHSA-N 427.416 3.228 5 50 IGBA COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 1148380 RXEBOCAIHPFTDJ-UHFFFAOYSA-N 448.284 3.315 5 50 IGBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(O)c(C(=O)O)c1)C2=O 2981398 NLTLNPYZHDWVTH-UHFFFAOYSA-N 432.344 3.030 5 50 IGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 1051116 YIQUPVNRKHGNII-LLVKDONJSA-N 427.866 3.050 5 50 IGBA O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 9065530 UBXCHRCQEZBZAJ-LJQANCHMSA-N 428.464 3.287 5 50 IGBA O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 36379971 BFJXGNDCJKJBPA-UHFFFAOYSA-N 438.352 3.419 5 50 IGBA Cc1c(S(=O)(=O)N2CCC([C@H]3CC3(F)F)CC2)ccc(N[C@@H]2CCOC2)c1[N+](=O)[O-] 1875343369 ZCPDEMIDONHHLQ-HUUCEWRRSA-N 445.488 3.160 5 50 IGBA CCOc1c(O)ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1[N+](=O)[O-] 16361860 TURWPYXWMGFTRW-QGZVFWFLSA-N 426.429 3.274 5 50 IGBA O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1)c1cc([N+](=O)[O-])ccc1O 43190941 PMVDLQNBBYTGBU-UHFFFAOYSA-N 438.352 3.419 5 50 IGBA CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 12412644 FQXHNDPJAXTFLP-LJQANCHMSA-N 444.875 3.209 5 50 IGBA COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O 36386159 ZHNYUYOPWLJLBZ-SXGWCWSVSA-N 443.437 3.292 5 50 IGBA O=C(CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 253429062 MGXNBJCFFSQUSS-MRXNPFEDSA-N 445.907 3.335 5 50 IGBA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1[N+](=O)[O-] 2874542 UAMMCJZXYFVRMK-UHFFFAOYSA-N 433.486 3.467 5 50 IGBA Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(OCC(F)(F)F)cc([N+](=O)[O-])c3)nc2n1 1071472 ALDSTRLGYORZNK-UHFFFAOYSA-N 446.292 3.472 5 50 IGBA CCOc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1875258005 XSRDTFAVGBBMJX-OAHLLOKOSA-N 427.432 3.465 5 50 IGBA O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 239377531 OBMUTBBPPYUMQF-LEZSPFLNSA-N 430.416 3.372 5 50 IGBA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16194306 PLRAXOKZRFDXDV-UHFFFAOYSA-N 428.470 3.108 5 50 IGBA N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 100633121 QVGODTZBXPDHQX-UHFFFAOYSA-N 434.521 3.467 5 50 IGBA COc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1[N+](=O)[O-] 12379435 AAWFAGRYAABNQO-UHFFFAOYSA-N 432.864 3.178 5 50 IGBA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 239121300 JRRUULMNUOHYJO-ZBWQPJPKSA-N 445.475 3.260 5 50 IGBA O=C(c1ccccc1)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 16393770 FHQBYYBGNFHTQR-QGZVFWFLSA-N 428.464 3.287 5 50 IGBA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)nc(C)n1 1770345 UTTFFGLHWOZDSX-UHFFFAOYSA-N 427.442 3.055 5 50 IGBA O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)c1 2968243 UOHKKTXDQLLVCU-UHFFFAOYSA-N 425.382 3.070 5 50 IGBA Cc1cc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c(C)cc1CN1CCOCC1 19618810 MRFUVZUTZHLIKL-UHFFFAOYSA-N 438.436 3.369 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCCOc1cccc2ccccc12 20058030 FJZPTWBYDRHVLN-UHFFFAOYSA-N 436.512 3.353 5 50 IGBA CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3672091 WNLAQWLQGDAFBH-YVEFUNNKSA-N 435.414 3.482 5 50 IGBA CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 8744474 FKVYVXJEGVNJGS-UHFFFAOYSA-N 446.891 3.324 5 50 IGBA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 3623209 KMNHZMYHCRXOQP-MRXNPFEDSA-N 442.877 3.230 5 50 IGBA O=C(Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O 43191569 HHPWDMRSBFHFEO-UHFFFAOYSA-N 438.352 3.419 5 50 IGBA Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 1063275 SDESUPKMZVTTIQ-UHFFFAOYSA-N 443.415 3.440 5 50 IGBA COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1 16671465 QTEKJJCGXRXMBB-UHFFFAOYSA-N 445.387 3.434 5 50 IGBA O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 100551999 OCNGPWPZLIULOE-GOSISDBHSA-N 449.294 3.356 5 50 IGBA O=C(Nc1cccc(O)c1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754962 BUEURRJYSBTGEQ-HXUWFJFHSA-N 431.404 3.146 5 50 IGBA CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)N2NC(SCc3ccccc3F)=NC2=N1 4176570 FGHRTZCTFFIMIA-KRWDZBQOSA-N 440.460 3.014 5 50 IGBA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 13370736 RRLRTYLZAZPELC-ZHSNQQFMSA-N 449.500 3.318 5 50 IGBA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 1060701 ABRLAXYTARDOAB-UHFFFAOYSA-N 439.497 3.420 5 50 IGBA C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 2873626 CCHVJSYTBLVXNW-CYBMUJFWSA-N 425.470 3.189 5 50 IGBA O=C1[C@H]2[C@@H](c3ccc(O)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 137377772 HELTVISIBNMGKY-PWRODBHTSA-N 431.404 3.352 5 50 IGBA O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 4162494 XDRCNTGCBKBMKE-UHFFFAOYSA-N 436.468 3.140 5 50 IGBA O=C(Nc1nnc(SCC(=O)N2CCc3ccccc32)s1)c1ccc([N+](=O)[O-])cc1 2997582 YIGMHGRRKBHUNR-UHFFFAOYSA-N 441.494 3.380 5 50 IGBA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 138563547 QKJYOWDIFZIZCD-IPMKNSEASA-N 426.860 3.092 5 50 IGBA O=C(O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 2028810 GFAMWKXHGUIHBL-UHFFFAOYSA-N 441.421 3.346 5 50 IGBA COc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 669883 ZQKPJHJPJVJEEX-UHFFFAOYSA-N 441.465 3.437 5 50 IGBA O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 1233580 PHTASBAKQWISHR-UHFFFAOYSA-N 429.344 3.194 5 50 IGBA O=[N+]([O-])c1cnc(N2CCOC[C@H]2c2nnc(-c3ccccc3)o2)c(Br)c1 241121784 JDVVPZPRODWATK-AWEZNQCLSA-N 432.234 3.380 5 50 IGBA CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc([N+](=O)[O-])cc1)C2=O 34636684 RQNAOIQEGPVYTC-UHFFFAOYSA-N 436.424 3.169 5 50 IGBA COc1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCCC2 757437705 JJYFSKOGQRXRKF-HNNXBMFYSA-N 427.432 3.465 5 50 IGBA COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1O 16474188 KZDRHHCKIQXDCE-QGZVFWFLSA-N 428.470 3.049 5 50 IGBA COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCC2)c([N+](=O)[O-])cc1OC 16676220 MHWIMXMFLDLOJC-QGOAFFKASA-N 439.468 3.395 5 50 IGBA COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 1156897 UBGVJEQESUVFEJ-UHFFFAOYSA-N 436.873 3.484 5 50 IGBA COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1OC 9113854 WANCVGBKRBXYSS-UHFFFAOYSA-N 435.864 3.236 5 50 IGBA O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 4144144 HSEVOGCGAIHSOE-UHFFFAOYSA-N 430.892 3.047 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1NC1CC1 9971907 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N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 100861034 LCJFVBZMLGLLNL-UHFFFAOYSA-N 435.487 3.107 5 50 IGBA O=C1NC2(CCCC2)C(=O)N1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 440600087 QILUZZWNPDTVSL-UHFFFAOYSA-N 436.468 3.383 5 50 IGBA O=C(O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 3995580 BKAKEBKEBJCSOP-UHFFFAOYSA-N 441.421 3.346 5 50 IGBA CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 245256794 SYYZSHSUUWGNRU-UVZNROCMSA-N 445.475 3.461 5 50 IGBA CCn1cc(Cn2cc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cn2)cn1 2805354 AKMTYKRHFKREEF-UHFFFAOYSA-N 448.487 3.170 5 50 IGBA COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2C1=O 13957527 HWKMLFVGIQGGSG-UHFFFAOYSA-N 433.376 3.362 5 50 IGBA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 101522128 HXWRJJXWQGFQID-BXLRBYEISA-N 447.491 3.484 5 50 IGBA CC[C@]1(C(=O)c2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 1158320 YLLSVCGTADBTTM-LAUBAEHRSA-N 429.400 3.443 5 50 IGBA O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 8385866 QSPCHCFJYHUCNO-UHFFFAOYSA-N 430.892 3.047 5 50 IGBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCC4)c3)CC2)cc1C 9891832 JYUKWBAIGPTEAD-UHFFFAOYSA-N 444.557 3.323 5 50 IGBA O=C1[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 13590861 UITPNGQIYMKCQI-ZKKFKWFVSA-N 426.428 3.138 5 50 IGBA Cc1ccccc1OCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 1891961 IFALULWRPVFLNB-UHFFFAOYSA-N 433.467 3.210 5 50 IGBA Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] 100744671 MQTOUGPJKRLEGM-IRXDYDNUSA-N 448.431 3.399 5 50 IGBA COc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 870057 VEABDALYZOUWDY-UHFFFAOYSA-N 441.465 3.437 5 50 IGBA CCn1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2CC)cn1 17099756 RMZIHVQJQHAJBQ-UHFFFAOYSA-N 435.897 3.474 5 50 IGBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 252671346 NHDLJRIDYZMCNR-ACRUOGEOSA-N 444.919 3.069 5 50 IGBA O=C(c1ccc(I)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9805882 ODGYRDJWWDJLGV-UHFFFAOYSA-N 437.237 3.162 5 50 IGBA COc1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)cc(OC)c1 13144144 RMPGZGWQIXKLNC-ZXPDZVFASA-N 427.461 3.138 5 50 IGBA COc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c([N+](=O)[O-])c1 8717316 BUNOTFBTJIOOJJ-NSHDSACASA-N 428.470 3.138 5 50 IGBA O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCc2c(Cl)cccc21 465034469 UFYDKTJNEFRBKP-CQSZACIVSA-N 449.916 3.238 5 50 IGBA CO[C@H](C)c1nc(CN2CCCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cs1 437512993 HEGQJIAEWPINOX-HZPDHXFCSA-N 447.561 3.294 5 50 IGBA O=C(O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 16267122 XOUJQSVPKZBDHB-CCQQUTMYSA-N 440.411 3.170 5 50 IGBA O=C(CN1CC[C@H](Oc2cccnc2N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl 253429057 MGXNBJCFFSQUSS-INIZCTEOSA-N 445.907 3.335 5 50 IGBA O=C(NCCNc1nccc(C(F)(F)F)n1)c1cccc2c(=O)c3ccccc3[nH]c12 444999827 MMKDLBKZFJNWOR-UHFFFAOYSA-N 427.386 3.332 5 50 IGBA CN(C)CCCNC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 8809359 UYGHLKBSTWSEMD-XMHGGMMESA-N 430.892 3.087 5 50 IGBA Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N[C@H](CC(C)C)C(=O)O)cc1 2978959 ALWSDRQHLOWUGO-UMSHPIDHSA-N 439.468 3.290 5 50 IGBA O=C(NC1CCCCC1)c1ccc(NCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 101189344 IVTYULKILJKVRZ-ROUUACIJSA-N 440.500 3.020 5 50 IGBA COCCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 2834719 OYVNUDWBVZUXSH-HKWRFOASSA-N 435.436 3.388 5 50 IGBA O=C(COc1ccc(Br)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19789407 SYGCHPKSHHVZHF-UHFFFAOYSA-N 434.290 3.081 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239212594 SZXYXMSXHZEREB-LEZSPFLNSA-N 429.432 3.405 5 50 IGBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N(c4ccccc4)C3=O)[C@H]2C1 245325262 DNKZQXNZKRSEHO-WNHYQHMGSA-N 434.452 3.230 5 50 IGBA CCCCc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 2872316 YUIDUXULHOSUMI-UHFFFAOYSA-N 435.502 3.351 5 50 IGBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 16995330 KFFPHOXYTVQCGS-VNOPPTIDSA-N 448.479 3.021 5 50 IGBA O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 170608089 TYWFVVUIZQZVHS-IYBDPMFKSA-N 446.423 3.002 5 50 IGBA CN(CCCC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2862709 OUESFOZYDWZXKJ-UHFFFAOYSA-N 434.499 3.244 5 50 IGBA O=C(O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 4486594 XOUJQSVPKZBDHB-IYZJKTGWSA-N 440.411 3.170 5 50 IGBA O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccco1 8815728 IOHXRJQDOPFGBZ-UHFFFAOYSA-N 428.392 3.044 5 50 IGBA COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 9011838 GZDNHZYETZICRZ-YVLHZVERSA-N 443.437 3.287 5 50 IGBA O=C1[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 1195850 ZZBSSADWMVVRIJ-NFJKTXFASA-N 426.428 3.138 5 50 IGBA CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 4122620 NKTMZWKIVOLCPC-UHFFFAOYSA-N 437.500 3.116 5 50 IGBA O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1CCc1ccccc1 230037864 REDKVHYIYJYLFH-WMZHIEFXSA-N 434.452 3.268 5 50 IGBA O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 8854724 ZDPYMGISAFBJDY-BARSGRSVSA-N 440.484 3.274 5 50 IGBA O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCOc2ccccc21 225436802 TYTKLGYIQVXNHA-LBPRGKRZSA-N 431.239 3.299 5 50 IGBA CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3cccc4cccnc34)c2)CC1 8863779 SRKZIYSEAQIBBT-UHFFFAOYSA-N 444.538 3.376 5 50 IGBA O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12856095 YMQWTIONNBUWNQ-UHFFFAOYSA-N 444.451 3.418 5 50 IGBA O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCc2c(Cl)cccc21 465034468 UFYDKTJNEFRBKP-AWEZNQCLSA-N 449.916 3.238 5 50 IGBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 2884310 KRLNBTXVMCEVGH-UHFFFAOYSA-N 435.502 3.440 5 50 IGBA O=[N+]([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1 9008246 XEZYEHBWNYQCMN-UHFFFAOYSA-N 445.541 3.075 5 50 IGBA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1Br 15686565 RVLQBPMFYAVTOO-UHFFFAOYSA-N 432.230 3.372 5 50 IGBA O=C(CNC(=O)c1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1Cl 16447451 XFTDLLXHZKNKCO-UHFFFAOYSA-N 427.638 3.484 5 50 IGBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1Br 9805660 QEWYOVOCJHXFKF-UHFFFAOYSA-N 426.248 3.198 5 50 IGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)c2ncccc12 225693711 HDQGKJFCLJQTEX-UHFFFAOYSA-N 448.258 3.354 5 50 IGBA O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 12376105 ZDPYMGISAFBJDY-MNJKBJKMSA-N 440.484 3.274 5 50 IGBA CN(C)c1noc(C2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC2)n1 225740094 WYPCPJHTNNOGDB-UHFFFAOYSA-N 439.270 3.218 5 50 IGBA COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 8916622 RYGLCMGHYBVGIM-UHFFFAOYSA-N 434.905 3.094 5 50 IGBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCN=C3O)c2)c(Cl)cc1Cl 328595917 KGWCANXXLPGFOJ-UHFFFAOYSA-N 431.257 3.436 5 50 IGBA Cc1nccn1CCCNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 225422695 OCLHVIGFZMQZMP-UHFFFAOYSA-N 435.550 3.459 5 50 IGBA CCOc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OCC)c3O)NC2=S)cc1 2828349 MALKAAZDGQODCF-YBEGLDIGSA-N 429.454 3.360 5 50 IGBA O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 95393627 RVDJWRUDDQFPFI-OALUTQOASA-N 434.404 3.090 5 50 IGBA O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 19929094 SCXJEKNRLAKEEN-UHFFFAOYSA-N 434.905 3.207 5 50 IGBA C[C@@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 70466414 GTUIRORNXIOHQR-SECBINFHSA-N 431.392 3.315 5 50 IGBA biogenic,in-vitro CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] 1173723 NIAWPRFZXKMTMJ-UHFFFAOYSA-N 425.264 3.278 5 50 IGBA Cc1nnc(SCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 16475028 YDASKBUGGUKRHQ-UHFFFAOYSA-N 447.464 3.214 5 50 IGBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 815722831 CVTFBNBNSCIWCT-WBVHZDCISA-N 446.504 3.008 5 50 IGBA C[C@H](CCc1ccccc1)Nc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] 8855100 MYHATGYCPPREHL-QGZVFWFLSA-N 432.546 3.110 5 50 IGBA Cc1cc(C)c2c(c1)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CC2 1875257435 SYVYWNDORSGZMD-QGZVFWFLSA-N 443.525 3.202 5 50 IGBA Cc1nn(Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)c(C)c1Br 655543 HXQDADFVJACCCG-UHFFFAOYSA-N 433.266 3.054 5 50 IGBA COc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c([N+](=O)[O-])c1 13644271 CWKYOWWFJFIHSP-UHFFFAOYSA-N 440.481 3.317 5 50 IGBA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 2856052 JABPNOGPUYUMEC-MRXNPFEDSA-N 428.426 3.006 5 50 IGBA O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccnc1 16429911 JVIDMRPCQSNHBI-CYBMUJFWSA-N 434.623 3.436 5 50 IGBA COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 2876614 IKKVHXKVRSGDOM-UHFFFAOYSA-N 448.284 3.315 5 50 IGBA Cc1cc(I)ccc1NC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-] 3147704 GSGKRYSWEMUMBO-UHFFFAOYSA-N 426.166 3.458 5 50 IGBA C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3c2C1 170594826 GZICDCWGBKCXIZ-CQSZACIVSA-N 441.509 3.405 5 50 IGBA Cc1ccc(-n2nnnc2Sc2nc([N+](=O)[O-])nn2Cc2ccccc2F)cc1C 1078272 FCHLGCOVFJWNJK-UHFFFAOYSA-N 426.437 3.117 5 50 IGBA Cc1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)ccc1Br 1142703 JGAXZTGDEBOIQI-UHFFFAOYSA-N 442.291 3.070 5 50 IGBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(c4ccccc4)C3=O)[C@H]2C1 245325261 DNKZQXNZKRSEHO-FOZYCNAUSA-N 434.452 3.230 5 50 IGBA CC[C@@]1(C(=O)c2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 1158317 YLLSVCGTADBTTM-UTKZUKDTSA-N 429.400 3.443 5 50 IGBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC[C@H]4CCCO4)c3)CC2)cc1 9197243 WISBTPVIQNFPNZ-HXUWFJFHSA-N 440.500 3.157 5 50 IGBA O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 3146597 LGITWEDMMXECCW-UHFFFAOYSA-N 431.360 3.346 5 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441.444 3.138 5 50 IGBA CC(=O)Nc1ccc(OC[C@@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 34392679 YVXVTLGIDOACBJ-GOSISDBHSA-N 441.362 3.341 5 50 IGBA biogenic,in-vitro C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9290504 IROBTKQKJGKDHZ-CQSZACIVSA-N 434.290 3.473 5 50 IGBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc([N+](=O)[O-])c1 2825031 YVNJSHMOHVFNII-UHFFFAOYSA-N 434.411 3.045 5 50 IGBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O 2871402 NEZXWLRTQCYLCN-UHFFFAOYSA-N 447.391 3.027 5 50 IGBA Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2OC(F)F)ccc1[N+](=O)[O-] 110327277 WNOVVFABBDUNFQ-KRWDZBQOSA-N 433.411 3.426 5 50 IGBA COc1ccc(NC(=S)N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 2682769 YZAXVYHJMWNGBM-LBPRGKRZSA-N 443.740 3.358 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239338956 LMFYXGMENIJJRZ-POHNSKBLSA-N 429.432 3.405 5 50 IGBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 815722828 CVTFBNBNSCIWCT-DOTOQJQBSA-N 446.504 3.008 5 50 IGBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 252671350 NHDLJRIDYZMCNR-NJYVYQBISA-N 444.919 3.069 5 50 IGBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 1163372 LIVYOMBEOOPSOS-CALCHBBNSA-N 434.404 3.090 5 50 IGBA COc1ccc([C@H]2CC(=O)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c(OC)c1OC 12420152 YUMZVLHRRCNMOL-CQSZACIVSA-N 425.397 3.452 5 50 IGBA O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1c3ccccc3C2(CO)c2ccccc21 1195845 ZZBSSADWMVVRIJ-YCIYHOANSA-N 426.428 3.138 5 50 IGBA COC(=O)c1sc(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])c(C(=O)OC)c1C 16346029 NHUGOJANMXHIMD-UHFFFAOYSA-N 427.435 3.486 5 50 IGBA CC[C@@H](C(=O)NCCCn1nc(C)c([N+](=O)[O-])c1C)n1nc(C(F)(F)F)c2c1CCC2 20607600 GBPWNVQEEKNMCU-AWEZNQCLSA-N 442.442 3.270 5 50 IGBA CCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 9892078 UEIWNCYVWYGVCA-UHFFFAOYSA-N 448.932 3.484 5 50 IGBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 14240053 XKNHUWZLXAIVDY-UHFFFAOYSA-N 430.313 3.408 5 50 IGBA Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 101268584 FNWLZPCKWKIYAM-QZTJIDSGSA-N 449.463 3.319 5 50 IGBA O=[N+]([O-])c1ccc(N(S(=O)(=O)Cc2ccccc2)S(=O)(=O)Cc2ccccc2)cc1 25694006 NSMBHIPIQPYSRN-UHFFFAOYSA-N 446.506 3.461 5 50 IGBA O=C(O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 4005960 QHAOVPUWFQXRDO-UHFFFAOYSA-N 441.421 3.346 5 50 IGBA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 16394061 ZQEHVZWUJZIIJA-UHFFFAOYSA-N 446.891 3.324 5 50 IGBA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 100627726 PZBNVZGBFNOKDU-PGRDOPGGSA-N 449.573 3.423 5 50 IGBA O=[N+]([O-])c1ccc(NC(=S)N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 13959956 VDPAFJBDMPTXLB-UHFFFAOYSA-N 446.514 3.214 5 50 IGBA COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)NCc1ccccc1 2905737 ZYEZESOMJADNHB-UHFFFAOYSA-N 426.450 3.313 5 50 IGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)oc12 811025 KGJWXVQDGVJLCR-UHFFFAOYSA-N 437.452 3.289 5 50 IGBA O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1ccc(Br)cc1)C1CCNCC1 725372968 FNFRKBJQWCYTEP-UHFFFAOYSA-N 440.319 3.305 5 50 IGBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2794617 FGXKKWZZOQBPIU-UHFFFAOYSA-N 439.497 3.440 5 50 IGBA COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O 36129170 XHJDGTUDIJAKDT-NVNXTCNLSA-N 447.400 3.123 5 50 IGBA Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(C4CCCC4)c3nc12 100633065 JVYCSTGTBAUIRV-UHFFFAOYSA-N 434.521 3.385 5 50 IGBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 101668730 NWBBVNLERNERNH-FTRWYGJKSA-N 429.498 3.095 5 50 IGBA O=c1[nH]c2nc(SCc3cccc([N+](=O)[O-])c3)ncc2c(=O)n1-c1cccc(Cl)c1 9331926 KUVALJNGUONWHJ-UHFFFAOYSA-N 441.856 3.323 5 50 IGBA O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 14390872 MSWSOKXRGRZVGA-UHFFFAOYSA-N 446.891 3.174 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101961570 DOFAJULQEYVWNM-ZNRKGROKSA-N 433.464 3.176 5 50 IGBA CC(=O)Nc1c([N+](=O)[O-])cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12 8398003 ULCOXBPWHOFBFN-UHFFFAOYSA-N 427.438 3.448 5 50 IGBA O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 16384511 HOTBTTIBYZDSOG-UHFFFAOYSA-N 442.497 3.483 5 50 IGBA O=C(NCc1ccccc1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1065201 IFAHKHMVQHXDQS-OAQYLSRUSA-N 429.432 3.119 5 50 IGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100985582 QNNZRHXOGIQHQX-FEBSWUBLSA-N 433.420 3.167 5 50 IGBA CCOC(=O)C[C@@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 12413210 SAWMJCKVIGIGKA-GOSISDBHSA-N 440.408 3.134 5 50 IGBA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 1162333 IDTLTYZJXKJUOV-GOSISDBHSA-N 428.470 3.044 5 50 IGBA COc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1[N+](=O)[O-] 2865887 KDSNRAKYJDAORE-UHFFFAOYSA-N 427.438 3.483 5 50 IGBA O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16448923 LNHCBCCRTYJSNP-UHFFFAOYSA-N 428.470 3.093 5 50 IGBA CCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 245255446 IHGXQWDGNSOYBF-CMOCDZPBSA-N 445.475 3.463 5 50 IGBA O=C(O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 2468972 VEVZAHKCVMPJFV-UHFFFAOYSA-N 441.421 3.346 5 50 IGBA O=C(N/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCOCC1)c1ccccc1 15685035 PISMNRKRNVADFO-PGMHBOJBSA-N 447.447 3.485 5 50 IGBA CN1C(=O)c2ccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)cc2C1=O 827822 OCGZVCYLHBTESQ-UHFFFAOYSA-N 443.371 3.414 5 50 IGBA O=c1c2c3c(sc2nc2c4ccccc4c(NCCCN4CCOCC4)nn12)CCCC3 12624906 IHJDDZTZJCUCQL-UHFFFAOYSA-N 449.580 3.470 5 50 IGBA O=C(N/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)N1CCOCC1)c1ccccc1 13552128 XGNRFSSYOIPXAQ-SILNSSARSA-N 447.447 3.485 5 50 IGBA COc1cc(C(=O)Nc2ccc(I)cc2)c([N+](=O)[O-])cc1OC 1189976 CRZCBELGJSFVPB-UHFFFAOYSA-N 428.182 3.469 5 50 IGBA O=C(NCc1ccccc1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1065203 IFAHKHMVQHXDQS-NRFANRHFSA-N 429.432 3.119 5 50 IGBA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 1087568 HTHPMOWMRHIOPB-FQEVSTJZSA-N 433.424 3.248 5 50 IGBA O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2O)c1)c1cc([N+](=O)[O-])ccc1O 43190946 DVPJRYMXXCOUSP-UHFFFAOYSA-N 438.352 3.419 5 50 IGBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100969766 GLCYRDXSNYNFEG-FEBSWUBLSA-N 433.420 3.167 5 50 IGBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1I 8916744 NXXCURFGFMMITC-UHFFFAOYSA-N 427.223 3.326 5 50 IGBA CCOC(=O)c1sc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C(=O)OCC)c1C 1891909 PQHMFLKEVPPODJ-UHFFFAOYSA-N 436.442 3.336 5 50 IGBA O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1c3ccccc3C2(C(=O)O)c2ccccc21 1221359 YENHTYPOZRMSEV-IYZJKTGWSA-N 440.411 3.230 5 50 IGBA O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cccc2ccccc12 19337474 NPXPKAZHLVPKBQ-JOCHJYFZSA-N 430.464 3.202 5 50 IGBA Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 17988954 FNWLZPCKWKIYAM-ROUUACIJSA-N 449.463 3.319 5 50 IGBA CCOc1c(O)ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1[N+](=O)[O-] 16361859 TURWPYXWMGFTRW-KRWDZBQOSA-N 426.429 3.274 5 50 IGBA COC(=O)c1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 1216291 SJRAVWDGDIHGDZ-UHFFFAOYSA-N 430.372 3.413 5 50 IGBA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 2821388 KMNNEFWYXQWGPI-UHFFFAOYSA-N 441.469 3.363 5 50 IGBA O=C1N=C(O)N(Cc2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12 229959853 LDHUAYZLDGRGGJ-GBXCKJPGSA-N 448.479 3.369 5 50 IGBA O=C1[C@H]2[C@@H](c3ccc(O)cc3)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1Cc1ccccc1 137866142 GZEQEFZTLJYHLO-BHDDXSALSA-N 445.431 3.347 5 50 IGBA O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 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445.488 3.160 5 50 IGBA O=C(NC1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1)C1CCCCC1 170606584 BUEFRIQMJWDTHD-UHFFFAOYSA-N 430.549 3.092 5 50 IGBA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 12384269 RRLRTYLZAZPELC-NWFVXXGESA-N 449.500 3.318 5 50 IGBA COC(=O)c1ccc(C[N+]2(C[C@H](O)CO[C@H]3C[C@H](C)CC(C)(C)C3)CCOCC2)cc1 241132770 JLNOGRALGSLJHB-VJBMBRPKSA-N 434.597 3.413 5 50 IGBA CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)c1 2847750 KSYPIEBSRXDLAZ-UHFFFAOYSA-N 426.458 3.080 5 50 IGBA COc1ccc(C)cc1N(C)CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 1875335177 VKYYRIDSFUWJQR-UHFFFAOYSA-N 432.908 3.350 5 50 IGBA COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)C(C)C 12381939 KMTIGNUXHNEVSB-UHFFFAOYSA-N 442.472 3.287 5 50 IGBA CN(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 827507 QEZCNYUAKNLUSY-UHFFFAOYSA-N 439.493 3.449 5 50 IGBA Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)n1 8817817 KAGWZJLAVCETBE-UHFFFAOYSA-N 441.429 3.082 5 50 IGBA COc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 9668134 DLGVOIAFGLXARS-UHFFFAOYSA-N 434.905 3.094 5 50 IGBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 990542 VFDLEPFLEILRCA-UHFFFAOYSA-N 444.399 3.284 5 50 IGBA C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N)c1ccccc1 100627282 WBIIQCOUPMPNLG-INIZCTEOSA-N 439.475 3.261 5 50 IGBA CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OCC 8846636 YKEXKMBRCRRYAL-UHFFFAOYSA-N 443.500 3.201 5 50 IGBA CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 8986466 DCHPYDZRWUHPPJ-UHFFFAOYSA-N 448.932 3.484 5 50 IGBA CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CN(c1ccc([N+](=O)[O-])cc1)C2=O 8969321 FASZGFVWLROGRC-KRWDZBQOSA-N 443.257 3.354 5 50 IGBA CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 12412646 FQXHNDPJAXTFLP-IBGZPJMESA-N 444.875 3.209 5 50 IGBA CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 241564163 ORYKPICNNXAJIF-LPHOPBHVSA-N 437.493 3.077 5 50 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O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16383656 SYXSFDQAZHWSFU-UHFFFAOYSA-N 438.465 3.428 5 50 IGBA CCNc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)ccc1[N+](=O)[O-] 8672191 JIAWUUBQVZRHIG-UHFFFAOYSA-N 444.557 3.416 5 50 IGBA O=C(Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1)c1cc2ncc(Br)cn2n1 2793190 YNBQJROOUCNZDZ-UHFFFAOYSA-N 442.176 3.296 5 50 IGBA O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9601682 BUFGPQCEAVBLAR-UHFFFAOYSA-N 446.891 3.174 5 50 IGBA C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 170617646 SGYYVRGPSUMOFG-UHFFFAOYSA-N 449.204 3.265 5 50 IGBA COc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 1195502 FTWYZBSCCHBQNX-LQDNNDEMSA-N 426.428 3.480 5 50 IGBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C 469630895 IMPDZLLCBCGBSF-IBGZPJMESA-N 426.517 3.423 5 50 IGBA CCCN(CCC)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2989495 JVRPWLRSNOODAA-FQEVSTJZSA-N 435.546 3.273 5 50 IGBA O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 22130636 QNRNNRDAVDKSEH-UHFFFAOYSA-N 441.421 3.346 5 50 IGBA COc1cc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)cc1Cl 17099227 ASEWPWGJSCBSTG-UHFFFAOYSA-N 434.880 3.026 5 50 IGBA O=C(O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 16267125 XOUJQSVPKZBDHB-YRSZXAOTSA-N 440.411 3.170 5 50 IGBA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 16425765 DPIXHYXPBPBJMZ-UHFFFAOYSA-N 446.891 3.324 5 50 IGBA CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 11615406 QDURZNYHJSETFF-IBGZPJMESA-N 425.416 3.337 5 50 IGBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 101268320 GUVIHPBJVPOERZ-QZTJIDSGSA-N 425.416 3.467 5 50 IGBA CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 245255448 IHGXQWDGNSOYBF-MYGLTJDJSA-N 445.475 3.463 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C(F)(F)F)c1 9601760 OYPXZRZKINBIMR-UHFFFAOYSA-N 429.420 3.266 5 50 IGBA Cc1ccc(C2=NC(NC(=O)c3cccc([N+](=O)[O-])c3)=S=C2NC(=O)c2ccco2)cc1 334158868 CFSXCCGWXVIQRQ-UHFFFAOYSA-N 448.460 3.109 5 50 IGBA COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 2843008 GGMCCBJVTSDJKX-UHFFFAOYSA-N 429.458 3.138 5 50 IGBA COc1cc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc(OC)c1OC 8857496 AIJYZFILQIOITP-UHFFFAOYSA-N 435.864 3.236 5 50 IGBA CN(C)CCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 2677486 YJCRCVXXCZRLKS-PGMHBOJBSA-N 448.479 3.304 5 50 IGBA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 8396418 ZWMOVRANIWRBCE-BTAWCLGRSA-N 429.410 3.380 5 50 IGBA Cc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1173387 DOBUWCIGZDBKAM-UHFFFAOYSA-N 439.493 3.415 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 9313198 OIORLXPSOMXBAL-UHFFFAOYSA-N 433.383 3.264 5 50 IGBA CCOC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 4558630 XMZQHDHKLBJNBU-JTQLQIEISA-N 445.712 3.332 5 50 IGBA COCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1OC 170595756 MAUQWCICVKPIKW-UHFFFAOYSA-N 435.864 3.202 5 50 IGBA C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 43208590 GTUIRORNXIOHQR-VIFPVBQESA-N 431.392 3.315 5 50 IGBA biogenic,in-vivo COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] 13942854 ZVWDSRZBRHFEKD-UHFFFAOYSA-N 433.486 3.276 5 50 IGBA O=c1c2cc3c(=O)n(C4CC4)ccc3nc2ccn1-c1nc(SCc2ccccc2)n[nH]1 40398951 ANGGBXGKCJXWNI-UHFFFAOYSA-N 442.504 3.446 5 50 IGBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cccc([N+](=O)[O-])c2)cc1 1132033 BXWILQLPTWQXHH-UHFFFAOYSA-N 426.454 3.132 5 50 IGBA CC[C@H](C(=O)NCCCn1nc(C)c([N+](=O)[O-])c1C)n1nc(C(F)(F)F)c2c1CCC2 20607601 GBPWNVQEEKNMCU-CQSZACIVSA-N 442.442 3.270 5 50 IGBA CN1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@@H]32)C1=O 245328700 WOFRBXRXDAHTHO-QMNBMJBWSA-N 426.473 3.459 5 50 IGBA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 1162334 IDTLTYZJXKJUOV-SFHVURJKSA-N 428.470 3.044 5 50 IGBA C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 15769525 NGEWJHOYQVLWAB-HNNXBMFYSA-N 446.481 3.198 5 50 IGBA O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@H]2C(=O)N1Cc1ccccc1 229934697 JRUIPQJNOSVULG-QHAWAJNXSA-N 430.420 3.037 5 50 IGBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(C4CCCCC4)C3=O)[C@H]2C1 245328594 VNMMVXQCNDNNJB-FOZYCNAUSA-N 440.500 3.358 5 50 IGBA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2(CO)c2ccccc21 13590857 UITPNGQIYMKCQI-YCIYHOANSA-N 426.428 3.138 5 50 IGBA O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 252679609 OYXBIPVIGMLNOH-JOCHJYFZSA-N 440.484 3.274 5 50 IGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Br 4089894 YAJDVGFJSPTIDX-UHFFFAOYSA-N 449.330 3.194 5 50 IGBA Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 17988951 FNWLZPCKWKIYAM-HDICACEKSA-N 449.463 3.319 5 50 IGBA 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COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 1194251 GAAXVYQNQCFKBA-YCIYHOANSA-N 426.428 3.480 5 50 IGBA CN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CN(c1ccc([N+](=O)[O-])cc1)C2=O 8969324 FASZGFVWLROGRC-QGZVFWFLSA-N 443.257 3.354 5 50 IGBA O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 18285062 HCDDZWVHQRODCH-JQBYJRRVSA-N 439.427 3.132 5 50 IGBA Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 101522133 HXWRJJXWQGFQID-RGBOINFLSA-N 447.491 3.484 5 50 IGBA CCc1nnc(NS(=O)(=O)c2ccc(Nc3ccc([N+](=O)[O-])c4nonc34)cc2)s1 9010236 WJXBOIFGMCKVJZ-UHFFFAOYSA-N 447.458 3.089 5 50 IGBA Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2OC(F)F)ccc1[N+](=O)[O-] 110327275 WNOVVFABBDUNFQ-QGZVFWFLSA-N 433.411 3.426 5 50 IGBA O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 239433205 XJACHFFQDNQMHZ-LVNJIZSUSA-N 448.431 3.170 5 50 IGBA COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 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440.455 3.446 5 50 IGBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@H]1C2 101672489 XXXGFHHODOEDOK-XYJFISCASA-N 429.498 3.095 5 50 IGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239229135 UTCAVOOSNXAPSO-HQZQWKOLSA-N 429.432 3.405 5 50 IGBA COc1ccc(C)c2c1N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 110604546 RAAAILIRWXKIAQ-AWEZNQCLSA-N 427.432 3.383 5 50 IGBA O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1cccs1 3105657 CPBOQBDBUZIUNN-UHFFFAOYSA-N 435.417 3.193 5 50 IGBA CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)N2NC(SCc3ccccc3F)=NC2=N1 4176572 FGHRTZCTFFIMIA-QGZVFWFLSA-N 440.460 3.014 5 50 IGBA O=C(c1cccs1)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 16393256 GNTUABVGAIQTHR-CQSZACIVSA-N 434.493 3.349 5 50 IGBA CCOC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C 1749341 GXMLXSRECCZPMR-UHFFFAOYSA-N 436.442 3.336 5 50 IGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100985579 QNNZRHXOGIQHQX-WZBLMQSHSA-N 433.420 3.167 5 50 IGBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1[N+](=O)[O-] 226702016 DVPFLIMJWPWIAV-XLAORIBOSA-N 445.388 3.205 5 50 IGBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O 2881055 KUJFQRWADZQGNH-UHFFFAOYSA-N 447.391 3.027 5 50 IGBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCO[C@@H]1CCCCO1 225534694 PZJOMQSQYPLCSP-LJQANCHMSA-N 427.523 3.115 5 50 IGBA COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 976422 NPRQEVAEZHXTCH-UHFFFAOYSA-N 443.485 3.350 5 50 IGBA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 2856053 JABPNOGPUYUMEC-INIZCTEOSA-N 428.426 3.006 5 50 IGBA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 16285722 VMGFYSIRYRYHET-UHFFFAOYSA-N 433.486 3.223 5 50 IGBA CCOC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 16447471 GWIPRPZDNCOIOW-KRWDZBQOSA-N 430.457 3.067 5 50 IGBA CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1 2842338 AVZQUBBEPAIPDQ-UHFFFAOYSA-N 441.469 3.298 5 50 IGBA COc1cc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 2840441 HUSPLRKQWMBUKX-UHFFFAOYSA-N 446.485 3.333 5 50 IGBA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1144112 GBKITDSMLXFCLH-UHFFFAOYSA-N 439.493 3.467 5 50 IGBA CO[C@H](C)c1nc(CN2CCCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cs1 437512995 HEGQJIAEWPINOX-JKSUJKDBSA-N 447.561 3.294 5 50 IGBA O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 654136 UQCAMPOHXLTRGV-QGZVFWFLSA-N 431.298 3.188 5 50 IGBA O=C(N/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCOCC1)c1ccccc1 833037 PISMNRKRNVADFO-LTGZKZEYSA-N 447.447 3.485 5 50 IGBA COc1cc(OC)cc(N(C)CC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 1875335048 QQURSTSHIYOAPD-UHFFFAOYSA-N 448.907 3.050 5 50 IGBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 101267349 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CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 253427272 OOVHQGOYNSYVDY-OAHLLOKOSA-N 438.912 3.015 5 50 IGBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCc1ccccc1 2905124 QQYLQXXHEBKCBB-UHFFFAOYSA-N 439.493 3.149 5 50 IGBA O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 138563277 GOHDMJMWXUVVEM-RCCFBDPRSA-N 447.278 3.437 5 50 IGBA COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8989799 BKTOJQSCXFDTKI-UHFFFAOYSA-N 447.513 3.166 5 50 IGBA Cc1cc(C(=O)N2CCN(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)CC2)no1 1054815 RAPNVKMOXCSAIZ-UHFFFAOYSA-N 434.861 3.358 5 50 IGBA O=C(NOCc1ccccc1)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 2796979 YECRMXXNPMNBHJ-UHFFFAOYSA-N 431.246 3.464 5 50 IGBA COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 2836881 YBEXDHYIVXYSTG-UHFFFAOYSA-N 427.486 3.362 5 50 IGBA Cc1c(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 2851147 HJRFTUHOSNUSPX-UHFFFAOYSA-N 442.291 3.070 5 50 IGBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 17988885 YQJUGTBAHDYTNL-ROUUACIJSA-N 425.416 3.467 5 50 IGBA CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 4199497 PNXLRXSLRBTQCP-UHFFFAOYSA-N 448.589 3.303 5 50 IGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 1051115 YIQUPVNRKHGNII-NSHDSACASA-N 427.866 3.050 5 50 IGBA O=C(NC1CCCCC1)c1ccc(NCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 16393663 XUJIJIUHESBGBI-UHFFFAOYSA-N 436.468 3.365 5 50 IGBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccccc1I 2979121 GOVPPGBUKKQZRG-UHFFFAOYSA-N 427.223 3.326 5 50 IGBA COc1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 8398255 JQXNXDRSRZITLS-UHFFFAOYSA-N 441.465 3.437 5 50 IGBA O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809479 PCOVXDZAPLGBPR-UHFFFAOYSA-N 437.847 3.385 5 50 IGBA CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 15229013 JQFXSGANEYTYBN-UHFFFAOYSA-N 425.441 3.262 5 50 IGBA 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IGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)c1 17095329 NHXLGHIHDBMFJK-UHFFFAOYSA-N 427.364 3.054 5 50 IGBA CCOc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 101160253 WXUSHRAFSVDKIK-GOSISDBHSA-N 443.481 3.387 5 50 IGBA O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCC(F)(F)F)c(F)c1 240333308 FCXVNHXMGAMNJZ-UHFFFAOYSA-N 443.309 3.039 5 50 IGBA Nc1cc([N+](=O)[O-])ccc1NCCOC(=O)c1cccc(-c2cnc3[nH]c(O)nc3c2)c1 1875339244 YJZFIMUSHQYMOL-UHFFFAOYSA-N 434.412 3.090 5 50 IGBA COc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] 9721005 OPWZBHVRNXGYJF-UHFFFAOYSA-N 427.482 3.268 5 50 IGBA COC(=O)c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)c1 15746665 JRPFPSWPIKCKLG-LDADJPATSA-N 435.392 3.384 5 50 IGBA CC(C)c1ccc(CNc2cc(N3CCN(S(C)(=O)=O)CC3)ccc2[N+](=O)[O-])cc1 8781015 SBVATGUJBUMCLS-UHFFFAOYSA-N 432.546 3.412 5 50 IGBA O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 9008854 ISINZYGXSGMVFQ-KRWDZBQOSA-N 428.464 3.287 5 50 IGBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N(C4CCCCC4)C3=O)[C@H]2C1 245328596 VNMMVXQCNDNNJB-WNHYQHMGSA-N 440.500 3.358 5 50 IGBA O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])OCC(F)(F)F 1475616 ROFBKCZOHRAMEJ-UHFFFAOYSA-N 427.300 3.086 5 50 IGBA COC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 12655671 NXROPNCVMCQLTK-UHFFFAOYSA-N 441.440 3.411 5 50 IGBA CCc1nnc(NS(=O)(=O)c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)s1 8816206 FOJWRYINWRLRHY-UHFFFAOYSA-N 447.458 3.089 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCCCC2)c1 22309462 JYCVJGGXYQNUDC-UHFFFAOYSA-N 430.530 3.096 5 50 IGBA O=[N+]([O-])c1cccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)c1 16293195 GCHMJLQTFAESRK-UHFFFAOYSA-N 437.423 3.135 5 50 IGBA COCCOCOc1cc2oc3cc(OCOCCOC)c(F)cc3c(=O)c2cc1F 140073287 LFIHRJXHCRUKGF-UHFFFAOYSA-N 440.395 3.223 5 50 IGBA CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C12CCC2 170638851 ATIXMRUJWLXGBI-KGLIPLIRSA-N 430.242 3.277 5 50 IGBA COc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 8398252 QVNBVNUAMSWNMT-UHFFFAOYSA-N 441.465 3.437 5 50 IGBA Cc1cc(C(=O)Nc2ccc(I)cc2C(=O)O)ccc1[N+](=O)[O-] 13437688 YUOTWEHZWGUTCC-UHFFFAOYSA-N 426.166 3.458 5 50 IGBA Cc1cc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Br 52537608 HGVBUMXVEKVRAV-UHFFFAOYSA-N 433.306 3.426 5 50 IGBA Cc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1169737 AIKXTUQXRIHNAX-UHFFFAOYSA-N 439.493 3.415 5 50 IGBA CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCC2 2145008 QAUPPVKWEBNZGM-UHFFFAOYSA-N 449.510 3.457 5 50 IGBA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 101329394 JRRUULMNUOHYJO-BXLRBYEISA-N 445.475 3.260 5 50 IGBA Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 2877513 RCEVAKMSPDWGHS-UHFFFAOYSA-N 425.470 3.188 5 50 IGBA O=C(NC1CCCCC1)c1ccc(NCCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 101189341 IVTYULKILJKVRZ-HDICACEKSA-N 440.500 3.020 5 50 IGBA CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C12CCC2 170638846 ATIXMRUJWLXGBI-UONOGXRCSA-N 430.242 3.277 5 50 IGBA CCCCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 245255447 IHGXQWDGNSOYBF-MLNNCEHLSA-N 445.475 3.463 5 50 IGBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 1135841 SZWURIQYXWMDMA-UHFFFAOYSA-N 439.493 3.297 5 50 IGBA Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1ccccn1)C(Cl)(Cl)Cl 19202513 RNAQFUZWUHGIFW-GFCCVEGCSA-N 437.671 3.029 5 50 IGBA COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1195500 FTWYZBSCCHBQNX-YCIYHOANSA-N 426.428 3.480 5 50 IGBA O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 101204693 PNSSDGKCNINLIH-QZTJIDSGSA-N 440.500 3.020 5 50 IGBA CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)c1 476289953 KSHHMRJDSHJGQI-CQSZACIVSA-N 429.498 3.414 5 50 IGBA COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(OC)cc1Cl 1506580 DSKRWIRFZTZFPC-UHFFFAOYSA-N 433.646 3.172 5 50 IGBA CCOC(=O)c1cc(CC)sc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8441293 GXXUMRMWBPHXIX-UHFFFAOYSA-N 433.486 3.484 5 50 IGBA Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 245246102 IKDDKLDLWXZRND-NJDAHSKKSA-N 430.420 3.349 5 50 IGBA COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 16225604 ZYASTQWAEZJPLU-LICLKQGHSA-N 428.422 3.383 5 50 IGBA CCn1ncc(-n2c(S)nnc2-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1C 2802721 LGFCTKJLGMVKAA-UHFFFAOYSA-N 428.478 3.111 5 50 IGBA CCOC(=O)C[C@@H](NC(=O)c1cc2cccc(OC)c2oc1=O)c1cccc([N+](=O)[O-])c1 3623179 PKOQIOVAKQYPJR-QGZVFWFLSA-N 440.408 3.134 5 50 IGBA Cc1c(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 2855521 BRGDMYWDONKNHG-UHFFFAOYSA-N 442.291 3.070 5 50 IGBA COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c1 14137136 MVJDCOFHSIGLJS-UHFFFAOYSA-N 445.457 3.137 5 50 IGBA O=C(O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 16247922 MJGGCGYBUPPFMU-IYZJKTGWSA-N 440.411 3.170 5 50 IGBA Cc1ccc(C2=NC(NC(=O)c3ccccc3[N+](=O)[O-])=S=C2NC(=O)c2ccco2)cc1 334158871 QSUGENKVKUWBKA-UHFFFAOYSA-N 448.460 3.109 5 50 IGBA O=C1[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 1221360 YENHTYPOZRMSEV-YRSZXAOTSA-N 440.411 3.230 5 50 IGBA COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 9202726 NNDLEORSZGJQFV-UHFFFAOYSA-N 442.424 3.225 5 50 IGBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 17986599 LIVYOMBEOOPSOS-IRXDYDNUSA-N 434.404 3.090 5 50 IGBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1 17099466 LPUGGJWRNWGKHC-UHFFFAOYSA-N 435.396 3.260 5 50 IGBA O=C(NC[C@@H]1CCCO1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 1203997 GZHKSVSKQFTNSJ-ZDUSSCGKSA-N 435.362 3.232 5 50 IGBA Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c(O)c1 754969 KHKPWNSEHCTWAE-FQEVSTJZSA-N 445.431 3.455 5 50 IGBA COc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 1131975 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O=C1[C@@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4510959 RHLNRSGMTBMLNN-LQDNNDEMSA-N 426.428 3.138 5 50 IGBA O=C1[C@@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 1195849 ZZBSSADWMVVRIJ-LQDNNDEMSA-N 426.428 3.138 5 50 IGBA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 1766768 RQUHRERZFZGIQO-UHFFFAOYSA-N 433.833 3.091 5 50 IGBA COc1cc(C(=O)N[C@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC 12418524 IHUXIFPXLCDRHE-CQSZACIVSA-N 438.820 3.220 5 50 IGBA C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O 2891940 GAXKUUHNTKDJGS-QIQQCEGHSA-N 439.468 3.253 5 50 IGBA O=C(Nc1ccc(I)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 679970 VDBQARXSZDGGRB-UHFFFAOYSA-N 438.181 3.290 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1N1CCCCC1 9193539 KVAQBISUPNEODI-UHFFFAOYSA-N 448.520 3.235 5 50 IGBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 815722829 CVTFBNBNSCIWCT-NVXWUHKLSA-N 446.504 3.008 5 50 IGBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O 1111009 PSEVAWHYHHXZRG-UHFFFAOYSA-N 447.391 3.027 5 50 IGBA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 6731660 QNZOSOHNEWCYFL-JSJZUPIVSA-N 432.410 3.461 5 50 IGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101906613 QNNZRHXOGIQHQX-AFHBHXEDSA-N 433.420 3.167 5 50 IGBA O=C1[C@@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 1221361 YENHTYPOZRMSEV-CCQQUTMYSA-N 440.411 3.230 5 50 IGBA O=C(c1cccs1)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 16393254 GNTUABVGAIQTHR-AWEZNQCLSA-N 434.493 3.349 5 50 IGBA COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 1167945 YZAPMDSPMIVNGH-RIYZIHGNSA-N 432.230 3.459 5 50 IGBA COCc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1-c1ccccc1 16194417 NEIUZHHZDCDQPR-UHFFFAOYSA-N 429.458 3.061 5 50 IGBA O=C1[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 1221362 YENHTYPOZRMSEV-HRZAVBMWSA-N 440.411 3.230 5 50 IGBA Cc1nn(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(C)c1[N+](=O)[O-] 2729552 GFGBCRQPHVUXMW-LBPRGKRZSA-N 433.534 3.358 5 50 IGBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 101668726 NWBBVNLERNERNH-TWOQFEAHSA-N 429.498 3.095 5 50 IGBA CNC(=O)c1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccc1[N+](=O)[O-] 263639843 LPUQWWWGFOICOX-UHFFFAOYSA-N 443.813 3.348 5 50 IGBA COC(=O)[C@H](Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)NC(=O)c1ccccc1 705361 QHNLEMNIGRWAGE-NRFANRHFSA-N 448.431 3.328 5 50 IGBA CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 944372 QBEQEIFNCPCGOY-IBGZPJMESA-N 448.439 3.291 5 50 IGBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)CCCC1=O 2881006 WIAWLJGXTSLJGH-UHFFFAOYSA-N 446.257 3.454 5 50 IGBA O=C(NC(=S)Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9934664 RYQVZFOCGODGDS-UHFFFAOYSA-N 443.510 3.168 5 50 IGBA O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 239030865 CLOUJLCDLCKLFV-VUEDXXQZSA-N 448.431 3.170 5 50 IGBA CCOC(=O)C(=O)N(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] 1775975437 IKJDQXLEDWQTAO-UHFFFAOYSA-N 440.239 3.436 5 50 IGBA COc1ccc([C@@H]2CC(=O)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c(OC)c1OC 12420149 YUMZVLHRRCNMOL-AWEZNQCLSA-N 425.397 3.452 5 50 IGBA O=c1c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2n1OCc1c(F)cccc1F 9236643 HOPSYIIWQAAEET-UHFFFAOYSA-N 425.347 3.117 5 50 IGBA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)s1 16448553 PBQIQWHJZKEOML-UHFFFAOYSA-N 448.486 3.454 5 50 IGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239038822 DZEQQNBGZQZUPH-POHNSKBLSA-N 429.432 3.405 5 50 IGBA O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 16399434 PNSSDGKCNINLIH-ROUUACIJSA-N 440.500 3.020 5 50 IGBA C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N)c1ccccc1 100627284 WBIIQCOUPMPNLG-MRXNPFEDSA-N 439.475 3.261 5 50 IGBA COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1O 16474186 KZDRHHCKIQXDCE-KRWDZBQOSA-N 428.470 3.049 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cc(Br)ccc3F)CC2)cc1 8846818 PMNHAUQYQRZAGC-UHFFFAOYSA-N 444.282 3.007 5 50 IGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16347418 CMCRTYVPSXAMKW-UHFFFAOYSA-N 433.486 3.095 5 50 IGBA O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 16474593 HYYQBYZAPRLMGR-ZZXKWVIFSA-N 443.416 3.451 5 50 IGBA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 886024599 MWJSUQDHMNEDKC-GOEBONIOSA-N 432.480 3.376 5 50 IGBA COCCNc1ccc(C(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] 225438694 RICVYSREOYJMIP-HNNXBMFYSA-N 443.378 3.015 5 50 IGBA CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c1 4422292 NDXBKOMJNOIYGW-UHFFFAOYSA-N 433.486 3.420 5 50 IGBA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1O 16361318 BMADEUSFNLZGCW-INIZCTEOSA-N 432.820 3.229 5 50 IGBA Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101111164 AAOGXTPEJATQRN-UHFFFAOYSA-N 445.498 3.297 5 50 IGBA C[C@@H](CCc1ccccc1)Nc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] 8855099 MYHATGYCPPREHL-KRWDZBQOSA-N 432.546 3.110 5 50 IGBA C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1(Br)Br 12384400 AXZVLSUWLUWFQV-AWEZNQCLSA-N 447.127 3.140 5 50 IGBA O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 1233591 LSUIZVOIPYZYHB-UHFFFAOYSA-N 429.344 3.194 5 50 IGBA CNS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)cc1 2760204 PKUWJCLNTPUGSB-UHFFFAOYSA-N 445.453 3.236 5 50 IGBA COc1ccc2c(c1OC)C(=O)N(c1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C2=O 2800169 DBOUGWYTIZPNGN-UHFFFAOYSA-N 426.303 3.354 5 50 IGBA O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cccc2ccccc12 100313722 NPXPKAZHLVPKBQ-QFIPXVFZSA-N 430.464 3.202 5 50 IGBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C(=O)N(C)C)c1C 1140105 YAZKFSZJUIAXJA-UHFFFAOYSA-N 425.850 3.359 5 50 IGBA Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1 253427982 OOAZAFILVOMOIS-UHFFFAOYSA-N 427.501 3.323 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ncccc12 8916677 YXYQONJSBWQZRA-UHFFFAOYSA-N 432.889 3.307 5 50 IGBA O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14126169 FNQGKSXJRKIMRA-UHFFFAOYSA-N 446.891 3.174 5 50 IGBA O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1)c1cccc([N+](=O)[O-])c1 239377530 OBMUTBBPPYUMQF-HXIANDDZSA-N 430.416 3.372 5 50 IGBA CCOC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 16447473 GWIPRPZDNCOIOW-QGZVFWFLSA-N 430.457 3.067 5 50 IGBA CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3672090 WNLAQWLQGDAFBH-SJCJKPOMSA-N 435.414 3.482 5 50 IGBA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 13154030 HQNDPERTIHRBAF-GOSISDBHSA-N 427.413 3.027 5 50 IGBA COc1ccsc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(I)c1 170617418 QDCOCMWJJQWDAL-UHFFFAOYSA-N 440.240 3.070 5 50 IGBA Cc1c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 704499 BKPOABIUFPRDTP-UHFFFAOYSA-N 431.246 3.407 5 50 IGBA O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 18250469 OCNGPWPZLIULOE-SFHVURJKSA-N 449.294 3.356 5 50 IGBA Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(CCc4ccccc4)c3nc12 100627223 NGBJLEBDOLJKNS-UHFFFAOYSA-N 441.535 3.352 5 50 IGBA CCOC(=O)[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1C 170091618 JLIQXXLQURZSKS-JOCHJYFZSA-N 436.468 3.360 5 50 IGBA CCOC(=O)C[C@H](NC(=O)c1cc2cccc(OC)c2oc1=O)c1cccc([N+](=O)[O-])c1 3623176 PKOQIOVAKQYPJR-KRWDZBQOSA-N 440.408 3.134 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCc1ccco1 8690062 WJFRIUMNYOLBQY-UHFFFAOYSA-N 442.497 3.311 5 50 IGBA aggregator Cc1nc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1I 1066534 WBOPIPZBOSPWKL-UHFFFAOYSA-N 442.238 3.030 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1N1CCCCC1 8781217 LVTUFACNKPBMPW-UHFFFAOYSA-N 430.530 3.096 5 50 IGBA C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 3781738 UIARLYUEJFELEN-LROUJFHJSA-N 439.471 3.474 5 50 IGBA world Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 766257179 VIKOBFRGYJYCFS-UHFFFAOYSA-N 434.493 3.102 5 50 IGBA O=C(O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1C(=O)O 4542424 OOCHYJHFXVXLTI-UHFFFAOYSA-N 449.375 3.496 5 50 IGBA COc1ccc(Oc2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc([N+](=O)[O-])c2)cc1 2808107 IDPYTTUKKPRKFS-CQSZACIVSA-N 449.485 3.006 5 50 IGBA O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15799233 MFLXMKMUVAZXRP-UHFFFAOYSA-N 437.374 3.347 5 50 IGBA O=C(Nc1cccc(O)c1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754961 BUEURRJYSBTGEQ-FQEVSTJZSA-N 431.404 3.146 5 50 IGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)oc12 1424340 OAXZEWXIMHYGTH-UHFFFAOYSA-N 443.843 3.326 5 50 IGBA Cn1c(=O)c([N+](=O)[O-])c(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2ccccc21 19808184 VDJDONHIKKHKRG-UHFFFAOYSA-N 442.903 3.301 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239338954 LMFYXGMENIJJRZ-HXIANDDZSA-N 429.432 3.405 5 50 IGBA COc1c(O)ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)c1[N+](=O)[O-] 16349607 RMROLULPGGBUNK-MRXNPFEDSA-N 428.470 3.049 5 50 IGBA CCn1cc(Br)c(C(=O)NC(=S)Nc2c(C)cc(C)cc2[N+](=O)[O-])n1 8450876 QHVIQHMDXQBYST-UHFFFAOYSA-N 426.296 3.317 5 50 IGBA aggregator COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)cc1OC 17096442 WKPRTCXSQIXYJB-UHFFFAOYSA-N 429.458 3.138 5 50 IGBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 101198674 UGUODNHFYXCPLW-FTRWYGJKSA-N 429.498 3.095 5 50 IGBA O=C(NC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])o1 225669767 AELZQYXEZOLZJZ-LBPRGKRZSA-N 448.775 3.244 5 50 IGBA NS(=O)(=O)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436243898 QTMIKQMXRMDDSB-UHFFFAOYSA-N 443.431 3.000 5 50 IGBA O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 36056654 OHQJZGUTAFDIPH-VBQJREDUSA-N 443.765 3.352 5 50 IGBA CC(=O)Nc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 12379737 JKWWOYQFKAURNB-UHFFFAOYSA-N 441.469 3.252 5 50 IGBA O=C(O)c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)c1 13154494 JHCCOKLWHJPOOK-UHFFFAOYSA-N 441.421 3.346 5 50 IGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239229137 UTCAVOOSNXAPSO-LEZSPFLNSA-N 429.432 3.405 5 50 IGBA O=C(NCc1cc(COc2ccccc2F)on1)c1cc([N+](=O)[O-])c2nsnc2c1 2325742485 NUCVVXQRRWPGCO-UHFFFAOYSA-N 429.389 3.236 5 50 IGBA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)nc(C)n1 2738641 DVWFROVHGFGHAL-UHFFFAOYSA-N 441.469 3.363 5 50 IGBA Cc1nn(CC(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)c(C)c1[N+](=O)[O-] 651365 NBLBDAYDKWSLLZ-UHFFFAOYSA-N 446.460 3.177 5 50 IGBA CCOC(=O)c1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 944373 QBEQEIFNCPCGOY-LJQANCHMSA-N 448.439 3.291 5 50 IGBA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 4111602 KJUOOIWMFCZXRI-JFNLIGNMSA-N 449.500 3.318 5 50 IGBA COc1ccc(C(=O)N[C@H](CCSC)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC 9970009 GHZBFSCIHZIJBY-QGZVFWFLSA-N 448.497 3.207 5 50 IGBA O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1ccccc1 247413038 PQZSVUDTJJTAAD-WMZHIEFXSA-N 434.452 3.169 5 50 IGBA CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCCCO[C@@H]1CCCCO1 225843186 JIZPSMMJTLAECG-MSOLQXFVSA-N 442.896 3.479 5 50 IGBA COc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 15771715 YBXZOPDRHLFUMY-UHFFFAOYSA-N 448.478 3.188 5 50 IGBA CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 2873787 NRWLZCHMKPJWTO-UHFFFAOYSA-N 441.893 3.205 5 50 IGBA COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c([N+](=O)[O-])c(OC)c1OC 170596481 XEDRUOIHEINSHD-CQSZACIVSA-N 447.463 3.106 5 50 IGBA CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)(Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC 1681523 MBHFXCWGKAUFQO-UHFFFAOYSA-N 430.413 3.401 5 50 IGBA Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(Cc4ccco4)c3nc12 100627257 IYSCNPPXHGKQKL-UHFFFAOYSA-N 439.475 3.008 5 50 IGBA CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCCO)cc1 16115415 RQXHACZZSZWWGA-LTGZKZEYSA-N 441.484 3.043 5 50 IGBA CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C(=O)N=C1S 245254793 CAWPIMQXEPMBLE-AVRDEDQJSA-N 438.509 3.378 5 50 IGBA CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 245256791 SYYZSHSUUWGNRU-BSWAZLHLSA-N 445.475 3.461 5 50 IGBA COc1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCCC2 757437707 JJYFSKOGQRXRKF-OAHLLOKOSA-N 427.432 3.465 5 50 IGBA COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC 16383954 QMEZJDVPEZVIIP-UHFFFAOYSA-N 428.182 3.469 5 50 IGBA C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 2873625 CCHVJSYTBLVXNW-ZDUSSCGKSA-N 425.470 3.189 5 50 IGBA COc1cccc(C(=S)N2CCOCC2)c1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 1156807 WVBXVVFNCFUGNC-UHFFFAOYSA-N 436.873 3.484 5 50 IGBA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)s1 2131812 JNSYJYGIAYLTMP-UHFFFAOYSA-N 433.471 3.062 5 50 IGBA COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1[N+](=O)[O-] 8767338 WKESRGZKGZNWSI-UHFFFAOYSA-N 434.211 3.009 5 50 IGBA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 3623208 KMNHZMYHCRXOQP-INIZCTEOSA-N 442.877 3.230 5 50 IGBA O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 225478281 CRCBFHDRSKKBKT-UHFFFAOYSA-N 425.894 3.022 5 50 IGBA CN(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 15769259 YUQIZRBRNVBIGE-UHFFFAOYSA-N 439.493 3.449 5 50 IGBA COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 1194249 GAAXVYQNQCFKBA-NFJKTXFASA-N 426.428 3.480 5 50 IGBA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 13550581 KJUOOIWMFCZXRI-ZHSNQQFMSA-N 449.500 3.318 5 50 IGBA O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 36020548 AMTBLIRDJRCJJA-UHFFFAOYSA-N 438.352 3.419 5 50 IGBA O=C1[C@@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 13590859 UITPNGQIYMKCQI-LQDNNDEMSA-N 426.428 3.138 5 50 IGBA CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCC2 9045535 JWHFGAGSAFNYKB-UHFFFAOYSA-N 445.497 3.411 5 50 IGBA C[C@H](c1ccccc1)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O 229903590 RMCDXTYIXGQFFN-VNOPPTIDSA-N 448.479 3.336 5 50 IGBA COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 1141448 UCNKUGXNMACTQT-UHFFFAOYSA-N 438.436 3.317 5 50 IGBA COC(=O)c1sc2ncn3nc(-c4cc([N+](=O)[O-])nn4Cc4ccccc4)nc3c2c1C 2793627 IBTZUBDXCURNNH-UHFFFAOYSA-N 449.452 3.254 5 50 IGBA Cc1ccccc1CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 14185996 PFMMELVHTRHUSL-UHFFFAOYSA-N 439.493 3.415 5 50 IGBA O=C(Nc1ccc(I)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16447962 WHMQUUVORPOYMD-UHFFFAOYSA-N 438.225 3.447 5 50 IGBA COc1cc(N[C@H]2CCCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)cc(OC)c1 1875261966 KLHXXBQRQGMKEE-AWEZNQCLSA-N 439.465 3.016 5 50 IGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 2866469 GIMLLBSTAKCIQL-UHFFFAOYSA-N 433.467 3.196 5 50 IGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 2871185 JPVZPRRWNNSXIX-UHFFFAOYSA-N 435.502 3.163 5 50 IGBA COC(=O)c1ccc(OC(=O)C[S@@](=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 6580074 DQWCKRMSORCXIS-LJAQVGFWSA-N 431.344 3.113 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101961569 DOFAJULQEYVWNM-JPKZGUTDSA-N 433.464 3.176 5 50 IGBA Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCCN1CCCCCC1 225761793 YQLMZEQCDGROBY-UHFFFAOYSA-N 431.274 3.114 5 50 IGBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2CCCC[C@H]2C1=O 17988926 GUVIHPBJVPOERZ-HDICACEKSA-N 425.416 3.467 5 50 IGBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)ccc1OCC(=O)O 409415639 VDJVEQSPILLDKH-UHFFFAOYSA-N 435.392 3.418 5 50 IGBA biogenic COc1ccc(C(=O)N[C@@H](CCSC)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC 9970006 GHZBFSCIHZIJBY-KRWDZBQOSA-N 448.497 3.207 5 50 IGBA CCOC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 4558631 XMZQHDHKLBJNBU-SNVBAGLBSA-N 445.712 3.332 5 50 IGBA Cc1cc2nc3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n3c2cc1C 16675971 FRGPQJJGHPQAJO-UUASQNMZSA-N 446.282 3.450 5 50 IGBA Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1 9805879 LHAIPURVIUHNKN-UHFFFAOYSA-N 434.290 3.393 5 50 IGBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 101198669 UGUODNHFYXCPLW-TWOQFEAHSA-N 429.498 3.095 5 50 IGBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 20614086 LAYPYYBVPRJGJH-UHFFFAOYSA-N 430.313 3.408 5 50 IGBA O=C(O)CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl 15821746 MVFGPPNHDKXDKC-ATVHPVEESA-N 431.832 3.000 5 50 IGBA O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 15987845 CSEHHHAUVSWWAV-UHFFFAOYSA-N 431.360 3.346 5 50 IGBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1[N+](=O)[O-] 239038744 DVPFLIMJWPWIAV-WNRNVDISSA-N 445.388 3.205 5 50 IGBA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1 2074718 AGHRYYKCIBSXOG-UHFFFAOYSA-N 427.442 3.055 5 50 IGBA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 2950493 KTOHTZWJQIMMPN-UHFFFAOYSA-N 447.860 3.400 5 50 IGBA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 239377529 OBMUTBBPPYUMQF-HQZQWKOLSA-N 430.416 3.372 5 50 IGBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1C[C@H](O)[C@H](N2CCCC2)C1 252671348 NHDLJRIDYZMCNR-HKBOAZHASA-N 444.919 3.069 5 50 IGBA Cc1c(C(=O)NC(=S)Nc2ccc(I)cn2)cccc1[N+](=O)[O-] 1129507 HNHGYLKTMGKTJS-UHFFFAOYSA-N 442.238 3.030 5 50 IGBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101696480 RXISNDPMGJSKJZ-ZNRKGROKSA-N 433.464 3.176 5 50 IGBA CN(C(=O)Cn1nc(I)c2ccc([N+](=O)[O-])cc21)C1CCCCC1 225825466 HMEMTJCVIIRIHJ-UHFFFAOYSA-N 442.257 3.340 5 50 IGBA CN(Cc1ccccc1)C[C@H](O)COc1cc([N+](=O)[O-])ccc1I 780276248 NDVNMODRAIRQST-HNNXBMFYSA-N 442.253 3.071 5 50 IGBA CCOC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(OC)cc1 3623169 VTRIRDIDYSZUHV-GOSISDBHSA-N 440.408 3.134 5 50 IGBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1OC 9601714 NGCZEBPTSKBTCI-UHFFFAOYSA-N 426.473 3.149 5 50 IGBA O=C(Nc1cccc(C(=O)c2ccc(C(=O)O)c(C(=O)O)c2)c1)c1cccc([N+](=O)[O-])c1 22588649 LHUWCYKMIMTHRO-UHFFFAOYSA-N 434.360 3.475 5 50 IGBA CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 13550588 KJUOOIWMFCZXRI-FXKZBUDASA-N 449.500 3.318 5 50 IGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc12 12401883 BHGXJWFUAKETPO-ZDUSSCGKSA-N 434.408 3.387 5 50 IGBA COc1nc(N2CCN(C)CC2)ccc1NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 2325749873 ZNYBKHFGWUBVPA-UHFFFAOYSA-N 443.507 3.089 5 50 IGBA COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Br 19782462 GUPMKIOWUHBUFD-UHFFFAOYSA-N 434.290 3.324 5 50 IGBA COC(=O)[C@@H](Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)NC(=O)c1ccccc1 705360 QHNLEMNIGRWAGE-OAQYLSRUSA-N 448.431 3.328 5 50 IGBA O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 20533819 FCZSWMUHQPTIGF-UHFFFAOYSA-N 434.452 3.175 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239338955 LMFYXGMENIJJRZ-LEZSPFLNSA-N 429.432 3.405 5 50 IGBA O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F 654132 UQCAMPOHXLTRGV-KRWDZBQOSA-N 431.298 3.188 5 50 IGBA CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 2986995 SAAOFNWYRQBAFU-UHFFFAOYSA-N 427.413 3.006 5 50 IGBA CC[C@]1(C(=O)c2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 1158318 YLLSVCGTADBTTM-DYESRHJHSA-N 429.400 3.443 5 50 IGBA O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1n[nH]c([N+](=O)[O-])c1Cl 8441854 GCZOBHVVSHAWAI-UHFFFAOYSA-N 436.684 3.164 5 50 IGBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1056045 DQSLOWLYKKESOJ-UHFFFAOYSA-N 444.296 3.048 5 50 IGBA O=C(O)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1 1234962 UYMYHEYFVDFECY-UHFFFAOYSA-N 431.360 3.346 5 50 IGBA O=[N+]([O-])c1ccn(Cc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)n1 2731042 RYPQBNREZPHHSQ-UHFFFAOYSA-N 434.844 3.472 5 50 IGBA COc1cc(C(=O)N[C@@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC 12418521 IHUXIFPXLCDRHE-AWEZNQCLSA-N 438.820 3.220 5 50 IGBA CCN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 242389484 ZXNIDVCDTIZJFR-ZACQAIPSSA-N 425.551 3.267 5 50 IGBA CCOc1ccc(Cn2cc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cn2)cc1OCC 2785096 JUYJKHVITPWDDY-UHFFFAOYSA-N 428.449 3.106 5 50 IGBA O=C(Nc1ccccc1C(=O)O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 707340 TZZIMTGTYOGXIP-UHFFFAOYSA-N 431.360 3.346 5 50 IGBA O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1c3ccccc3C2(CO)c2ccccc21 4510955 RHLNRSGMTBMLNN-YCIYHOANSA-N 426.428 3.138 5 50 IGBA Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3ccccc3C2=O)cc1 9591897 KXWROHFMBCNONS-UHFFFAOYSA-N 443.415 3.440 5 50 IGBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O 2873115 DMPFJZVQFACWFX-UHFFFAOYSA-N 429.454 3.161 5 50 IGBA COc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1 754934 OWQDEKSSQKMBMO-OAQYLSRUSA-N 445.431 3.449 5 50 IGBA COCCCn1c(=O)c2ccc3c(=O)n4c5ccc(Cl)cc5nc4c4ccc(c1=O)c2c34 8432974 GPMPHSWMRHTAJI-UHFFFAOYSA-N 445.862 3.395 5 50 IGBA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 13154031 HQNDPERTIHRBAF-SFHVURJKSA-N 427.413 3.027 5 50 IGBA O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 100480277 SICHCNGFJGTIOT-GOSISDBHSA-N 449.294 3.356 5 50 IGBA CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 253427270 OOVHQGOYNSYVDY-HNNXBMFYSA-N 438.912 3.015 5 50 IGBA CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C(=O)OC)c1C 2760014 GGNOTFYLKSTUDH-UHFFFAOYSA-N 437.386 3.089 5 50 IGBA CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1053244 AUNHVWAJZUUZII-UHFFFAOYSA-N 441.465 3.437 5 50 IGBA COc1ccc(NC(=S)N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 8687489 FPZDJMOTHRIVFY-GFCCVEGCSA-N 443.740 3.358 5 50 IGBA aggregator CCOCCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100628080 XYUHKFWLAFOTBO-QGZVFWFLSA-N 445.523 3.046 5 50 IGBA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 1087567 HTHPMOWMRHIOPB-HXUWFJFHSA-N 433.424 3.248 5 50 IGBA O=[N+]([O-])c1cnn(CCNC(=S)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1 2727854 IKHVQQBMCQWCQL-UHFFFAOYSA-N 440.316 3.330 5 50 IGBA COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 9234638 KCINRYSZUIFVEG-XBXARRHUSA-N 429.816 3.383 5 50 IGBA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 101522117 HXWRJJXWQGFQID-NXQKYAITSA-N 447.491 3.484 5 50 IGBA COc1ccc(CN2CCN(CCOc3ccc([N+](=O)[O-])c(C)c3)CC2)c(OC)c1OC 16293846 HWDQAXVPFBISBI-UHFFFAOYSA-N 445.516 3.126 5 50 IGBA CCCCOC(=O)c1cccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1807586 OIVXCNDEYDKXKA-UHFFFAOYSA-N 439.424 3.177 5 50 IGBA CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3672088 WNLAQWLQGDAFBH-PXAZEXFGSA-N 435.414 3.482 5 50 IGBA CCOCCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100628079 XYUHKFWLAFOTBO-KRWDZBQOSA-N 445.523 3.046 5 50 IGBA COCCNc1ccc(C(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] 225438654 RICVYSREOYJMIP-OAHLLOKOSA-N 443.378 3.015 5 50 IGBA CN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl 225834528 AUEPGRZRIVDAGL-JTQLQIEISA-N 427.704 3.200 5 50 IGBA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 2870767 LQQXFLZAVJQLGW-UHFFFAOYSA-N 439.877 3.050 5 50 IGBA CC1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 674395 GOBBXTBBNQBNGD-UHFFFAOYSA-N 433.486 3.033 5 50 IGBA COc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2C)cc1 9304975 YXBPVGDBYUCOPR-UHFFFAOYSA-N 429.458 3.138 5 50 IGBA O=C1[C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 136844374 UZYQQRHVDXDQNW-OFQRWUPVSA-N 439.474 3.140 5 50 IGBA O=C(N[C@H](N1CCCCC1)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 19333955 SESLTPNCIHLSLG-CYBMUJFWSA-N 425.656 3.415 5 50 IGBA Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3Cc3ccco3)c(=O)n2c1 100627260 VHWGAWAHYBPIAI-UHFFFAOYSA-N 439.475 3.008 5 50 IGBA O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 971272 HCDDZWVHQRODCH-LIKPIUCQSA-N 439.427 3.132 5 50 IGBA O=C(Cn1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc21)Nc1ccc(F)cc1 8741119 PSDSNDLFWBHJAH-BJMVGYQFSA-N 449.398 3.287 5 50 IGBA COCCNc1ccc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1[N+](=O)[O-] 253396946 OPPXWECBBJJOQV-NRFANRHFSA-N 433.892 3.438 5 50 IGBA COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1157462 YPOMCWYFXDGECR-UHFFFAOYSA-N 436.873 3.484 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239212593 SZXYXMSXHZEREB-HXIANDDZSA-N 429.432 3.405 5 50 IGBA O=C1[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 1195847 ZZBSSADWMVVRIJ-ZKKFKWFVSA-N 426.428 3.138 5 50 IGBA COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 1194253 GAAXVYQNQCFKBA-LQDNNDEMSA-N 426.428 3.480 5 50 IGBA COc1cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 2866234 VXTVWZLDPPBRTG-UHFFFAOYSA-N 446.441 3.401 5 50 IGBA O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1120949 NCUXMDOQSWFILL-IBGZPJMESA-N 433.420 3.417 5 50 IGBA COC(=O)c1c(C(=O)OC)c2c3ccccc3cnn2c1C(=O)c1cccc([N+](=O)[O-])c1 4543071 CDUNMNRTHDYLJT-UHFFFAOYSA-N 433.376 3.200 5 50 IGBA O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc12)c1ccc(SC(F)(F)F)cc1 328592230 UETCMWFDNBGTIA-UHFFFAOYSA-N 437.403 3.992 5 50 IGBA COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1 1188898 BYRIBFKTMHWEQG-UHFFFAOYSA-N 445.387 3.434 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2cccnc12 8441626 OLLGRNNLAMSFRJ-UHFFFAOYSA-N 432.889 3.307 5 50 IGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Br)cc1 8814632 BBACBASEUUGDOI-UHFFFAOYSA-N 449.330 3.194 5 50 IGBA NC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCCCC2 8997268 BWMCRTJMEQZZSZ-UHFFFAOYSA-N 444.513 3.113 5 50 IGBA CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCCO)cc1 4756148 RSFCSKCMOXDYBP-HKWRFOASSA-N 425.485 3.162 5 50 IGBA O=C(c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1F)N1CCCC1 225395896 MAMBAQJVBXUTMB-UHFFFAOYSA-N 427.841 3.424 5 50 IGBA O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1cccnc1 16429914 JVIDMRPCQSNHBI-ZDUSSCGKSA-N 434.623 3.436 5 50 IGBA CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)c1 476289950 KSHHMRJDSHJGQI-AWEZNQCLSA-N 429.498 3.414 5 50 IGBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 9246921 HVZJCCVQZXNVFR-UHFFFAOYSA-N 427.223 3.326 5 50 IGBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 8396737 GSSLMFCEMQVXRT-UHFFFAOYSA-N 430.892 3.047 5 50 IGBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1066808 UCQNCDCZQZXZCH-UHFFFAOYSA-N 442.272 3.463 5 50 IGBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 101326149 LIVYOMBEOOPSOS-IAGOWNOFSA-N 434.404 3.090 5 50 IGBA Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] 17986886 MQTOUGPJKRLEGM-IAGOWNOFSA-N 448.431 3.399 5 50 IGBA O=c1nc2ccccn2c2cc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)cc12 12377444 IWGSHCUPPWPSKZ-UHFFFAOYSA-N 425.897 3.248 5 50 IGBA N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 100809489 FRTRASVXZRSUEO-UHFFFAOYSA-N 427.508 3.044 5 50 IGBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 9720933 XGJRHFPBLIZCBL-UHFFFAOYSA-N 434.699 3.401 5 50 IGBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 16226963 KFVBYEPPZFAHQP-UHFFFAOYSA-N 448.284 3.315 5 50 IGBA CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1116332 CFRSYQJWTZESFG-UHFFFAOYSA-N 441.531 3.206 5 50 IGBA COC(=O)c1cc(C(=O)Nc2nnc(Cc3ccc(OC)cc3)s2)cc([N+](=O)[O-])c1 2814875 TYMGTBXKPBVSHU-UHFFFAOYSA-N 428.426 3.085 5 50 IGBA O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 16677498 VLUPUAKKLJALSM-UHFFFAOYSA-N 431.360 3.346 5 50 IGBA Cc1c(N(C)C2=NN=C(c3ccc([N+](=O)[O-])cc3)CS2)c(=O)n(-c2ccccc2)n1C 1206005 ZQHCLBGNYKKJRV-UHFFFAOYSA-N 436.497 3.336 5 50 IGBA NC(=O)c1c(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)sc2c1CCCCC2 2781115 WIFRSANTJVZZOB-UHFFFAOYSA-N 429.458 3.114 5 50 IGBA O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCN(Cc2ccc(Br)cc2)CC1 301722926 RVBBLJVFUDQKJB-UHFFFAOYSA-N 444.289 3.328 5 50 IGBA O=C1[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4510964 RHLNRSGMTBMLNN-NFJKTXFASA-N 426.428 3.138 5 50 IGBA CNc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)ccc1[N+](=O)[O-] 9971947 AKRRBOOYALQSGA-UHFFFAOYSA-N 430.530 3.026 5 50 IGBA COc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 854467 RBZPIVPTUASPQH-UHFFFAOYSA-N 441.465 3.437 5 50 IGBA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c1C 1787732 JNFMQGYNKVNDAR-UHFFFAOYSA-N 446.441 3.018 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1NCc1ccco1 9971641 RIUFRJMQSYQUAM-UHFFFAOYSA-N 448.526 3.372 5 50 IGBA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-] 101329403 JRRUULMNUOHYJO-NXQKYAITSA-N 445.475 3.260 5 50 IGBA COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 2994760 HVLDWVHBSZXPAU-UHFFFAOYSA-N 448.464 3.464 5 50 IGBA CC(=O)Nc1nonc1N1C(=N)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 3868486 YBCWVUNCHGOQDK-JJUMJEJVSA-N 440.397 3.252 5 50 IGBA Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OS(=O)(=O)c2ccccc2)cc1 5941817 QJUIBIVNWDISAH-UHFFFAOYSA-N 448.478 3.472 5 50 IGBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 16520487 MKRBGHDCHSACDH-UHFFFAOYSA-N 429.420 3.120 5 50 IGBA CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(N)cc1 6286645 YMTVIEISZOIDEV-UHFFFAOYSA-N 428.474 3.195 5 50 IGBA O=C1[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCN1c1ccccc1F 225550582 PTDDLMNGJPQCCY-GFCCVEGCSA-N 448.259 3.125 5 50 IGBA O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 170608090 TYWFVVUIZQZVHS-HOTGVXAUSA-N 446.423 3.002 5 50 IGBA COc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(OC)c1 2831869 GVHWKTCSWAXHKG-UHFFFAOYSA-N 449.466 3.154 5 50 IGBA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 242324414 ZBCCQWRJRFLURP-CXAGYDPISA-N 440.466 3.429 5 50 IGBA CCc1ccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])cc(OC)c4oc3=O)CC2)cc1 1421075 HGTMBDACTGEOFN-UHFFFAOYSA-N 437.452 3.235 5 50 IGBA Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 101329387 JRRUULMNUOHYJO-RGBOINFLSA-N 445.475 3.260 5 50 IGBA CC(=O)Oc1cc(OC(C)=O)c(C(=O)CCc2ccc([N+](=O)[O-])cc2)c(OC(C)=O)c1 3125013 UHNPDUILOJXGLV-UHFFFAOYSA-N 429.381 3.186 5 50 IGBA O=C(Cn1cnc2c([N+](=O)[O-])cccc2c1=O)c1cc2cc(Br)ccc2[nH]1 1875336840 ILERODVXKWXJBX-UHFFFAOYSA-N 427.214 3.431 5 50 IGBA O=C(NC(=S)Nc1cccc2ncccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12855066 JZXMGWCMCHDUJQ-UHFFFAOYSA-N 437.481 3.106 5 50 IGBA CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 328595898 JMVBIWDKSULFLG-UHFFFAOYSA-N 440.286 3.074 5 50 IGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NC1CC1 8781222 OSIHPXIYCFJHGZ-UHFFFAOYSA-N 436.921 3.333 5 50 IGBA Cc1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 15821314 YTCUSCVTGUQNTG-UHFFFAOYSA-N 439.493 3.415 5 50 IGBA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccncc4)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 229916825 IKDDKLDLWXZRND-PWRODBHTSA-N 430.420 3.349 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101961564 DOFAJULQEYVWNM-NHUSPQTBSA-N 433.464 3.176 5 50 IGBA Cc1ccc(C(C)C)c(OC(=O)C[S@](=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 6274899 NVDLDXNPLDJUJE-MUUNZHRXSA-N 439.511 3.143 5 50 IGBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N(Cc4ccccc4)C3=O)[C@H]2C1 245255668 KFFPHOXYTVQCGS-QQQUVDROSA-N 448.479 3.225 5 50 IGBA CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 245256793 SYYZSHSUUWGNRU-SDTQGNRXSA-N 445.475 3.461 5 50 IGBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239038631 DOFAJULQEYVWNM-WPCMGHOJSA-N 433.464 3.176 5 50 IGBA COc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-] 1071075 BPWISZPZDUFXLF-UHFFFAOYSA-N 425.264 3.196 5 50 IGBA CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1117209 FGFIHNPOALXBGH-UHFFFAOYSA-N 441.531 3.206 5 50 IGBA Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)c(=O)n(-c2ccccc2)n1C 2070587 BZSOIHGVVBDAEL-UHFFFAOYSA-N 431.792 3.207 5 50 IGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc12 12401884 BHGXJWFUAKETPO-CYBMUJFWSA-N 434.408 3.387 5 50 IGBA COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n2)c1 14137138 PDSKNMMNAQGOPA-UHFFFAOYSA-N 445.457 3.137 5 50 IGBA CCOC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(OC)cc1 3623167 VTRIRDIDYSZUHV-SFHVURJKSA-N 440.408 3.134 5 50 IGBA Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] 1171219 MQTOUGPJKRLEGM-CALCHBBNSA-N 448.431 3.399 5 50 IGBA COc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1203926 SVIARLLSTUFXJM-UHFFFAOYSA-N 441.465 3.437 5 50 IGBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(CCOc2nonc2-c2ccccc2)CC1 55433493 AGCSZKUAUVFRIZ-UHFFFAOYSA-N 429.864 3.499 5 50 IGBA O=C(c1cc(-c2ccccc2[N+](=O)[O-])on1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 2325739293 JFKAAKRMAQKQGA-UHFFFAOYSA-N 445.435 3.329 5 50 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O=C1c2ccccc2C(=O)N1Cc1ccc(CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 71769585 JZQVFRFJJCCRDC-UHFFFAOYSA-N 441.399 3.187 5 50 IGBA CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C12CCC2 170638848 ATIXMRUJWLXGBI-KBPBESRZSA-N 430.242 3.277 5 50 IGBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc2[N+](=O)[O-])n1 14943624 HLOITDSBLVPZHI-UHFFFAOYSA-N 437.475 3.428 5 50 IGBA O=C1NCCc2ccc(CNC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)cc21 444308738 DPLUXOSBODYYFG-UHFFFAOYSA-N 433.414 3.175 5 50 IGBA O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O)c1cccc([N+](=O)[O-])c1 990364 QBSJUDHSMOXDOP-UHFFFAOYSA-N 446.371 3.141 5 50 IGBA COc1cc(C=O)cc(I)c1OC(=O)c1cccc([N+](=O)[O-])c1 1163408 WJXPBRORYANBGO-UHFFFAOYSA-N 427.150 3.240 5 50 IGBA O=c1c(=Cc2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 252679610 OYXBIPVIGMLNOH-QFIPXVFZSA-N 440.484 3.274 5 50 IGBA O=C(NCCCO)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 8915610 QTCVDXYJJFNUHK-HKWRFOASSA-N 435.436 3.124 5 50 IGBA 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