smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(/C=C2/S[C@@]3(SC(c4ccc(Cl)cc4Cl)=NN3c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)C2=O)cc1 8636734 FYIVJMQUJWDDBL-YLKQWKBVSA-N 619.555 8.557 5 30 KKBC CCCCN(CCCC)p1oc2c(C(C)(C)C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C(C)(C)C)c2o1 111890861 DNHKMKNEVOOJMY-UHFFFAOYSA-N 567.839 12.018 5 30 KKBC O=C(O)c1cc2c(cc1[N+](=O)[O-])[C@@H]1[C@H]([C@@H]3[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 299754713 JIWGWQKMTYEHQZ-BKOHJWDKSA-N 762.726 9.397 5 30 KKBC COc1cc(Cc2c(-c3ccc(O)cc3OC)c3cc(OC)c(O)c(OC)c3c3cc4cc(O)c(=O)cc-4oc23)ccc1O 85845293 LCNSWZDZNPDLFP-UHFFFAOYSA-N 596.588 6.166 5 30 KKBC Brc1cccc(-c2c3nc(c(-c4cccc(Br)c4)c4ccc([nH]4)c(-c4cccc(Br)c4)c4ccc([nH]4)c(-c4cccc(Br)c4)c4nc2C=C4)C=C3)c1 196084936 MYHNKGLCMJZRTK-UHFFFAOYSA-N 930.336 14.374 5 30 KKBC CCCCN(CCCC)[C@H](O)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 33637049 WYFARUIMFVPKFV-LOSJGSFVSA-N 516.431 7.963 5 30 KKBC O=C(c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 8618022 RKVMCNBMECQZCG-UHFFFAOYSA-N 536.968 7.114 5 30 KKBC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 137634637 ZLLOGORYNRZLMW-NAVCKDPZSA-O 515.847 7.829 5 30 KKBC in-vitro O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)c1 2151011 DQAKOMHORKJOKF-UHFFFAOYSA-N 506.392 6.153 5 30 KKBC C1=Cc2nc1c(-c1ccccc1)c1[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)CC1 59143355 UGBLZKXCXPHXSU-UHFFFAOYSA-N 616.768 10.831 5 30 KKBC COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3cccc([N+](=O)[O-])c3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1cccc([N+](=O)[O-])c1 150353477 POVABOHDRDHSLC-UHFFFAOYSA-N 746.744 6.236 5 30 KKBC O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 95722727 DMVZMCUDPCYDIA-UHFFFAOYSA-N 713.356 7.350 5 30 KKBC COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F 8618132 VNEGNDWICHTTPC-UHFFFAOYSA-N 600.453 6.711 5 30 KKBC CO[C@H]1[C@@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 306146693 MQCCJEYZKWZQHU-RDXDOESWSA-N 584.632 5.547 5 30 KKBC biogenic CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C 2265366065 NZCRJKRKKOLAOJ-OLDYDTGNSA-N 785.891 6.158 5 30 KKBC C1=C2c3ccc4c5ccc6c7ccc8c9ccc%10c%11c%12c%13c%14c(c3c4c3c5c6c4c7c8c(c%119)c%13c4c%143)[C@]23CN(c2ccccc2)[C@@H](c2ccccc2)[C@]%123C%10=C1 2242148285 PEBDSNGLZANRIY-LKDKIUHVSA-N 685.785 13.433 5 30 KKBC O=c1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c2nc3cccc7cccc(c73)n12)c46)c(=O)n1c2cccc3cccc(nc51)c32 150390710 MDFFDZMXEZGZPB-UHFFFAOYSA-N 636.670 9.548 5 30 KKBC CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccc6ccc7cccc8ccc5c6c78)CC[C@]4(C)[C@H]3CC[C@@]21C 263584679 YXRDZOKEPVUJRV-YJTFXQAGSA-N 614.914 12.151 5 30 KKBC Cc1cc(-c2nnc(CSc3nnc(NC(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)s3)o2)ccc1[N+](=O)[O-] 8647774 FIUXTEJUVIIUIY-UHFFFAOYSA-N 590.487 6.387 5 30 KKBC CCCCN(CCCC)C(=O)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 38647468 SGPMBCWVUOBUPW-XMMPIXPASA-N 514.415 8.171 5 30 KKBC O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2Cl)c(Cl)c1 2161332 NOBLVQXRSAHOEU-UHFFFAOYSA-N 542.611 7.455 5 30 KKBC CCCCN(CCCC)[C@H](O)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 33637053 WYFARUIMFVPKFV-JWQCQUIFSA-N 516.431 7.963 5 30 KKBC CN1CCC[C@@H]1CCNC(=O)c1cn2c3cc4ccccc4cc3oc3c(N4CC[C@H](c5cnccn5)C4)c(F)cc(c1=O)c32 100376300 WOQIDNWTQOYDLF-BJKOFHAPSA-N 604.686 5.489 5 30 KKBC in-man CCCCC(CCCC)OC(=O)CCCCCCCCCCOC(=O)c1ccc(/N=c2\cc3oc4cc(N(C)C)ccc4nc-3c3ccccc23)cc1 196075025 ACJOCTIRKDZZGC-NNYMHDOGSA-N 719.967 11.344 5 30 KKBC COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 1031398 MGXZQTGZKPYTOV-UHFFFAOYSA-N 508.369 5.583 5 30 KKBC CN1C[C@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)[C@]63C1 263583837 BYIDVSOOZTZTQB-APQHLZGQSA-N 777.756 16.239 5 30 KKBC Oc1ccc2ccccc2c1-c1nc(-c2cc3ccc4cccc5ccc(c2)c3c45)nc(-c2c(O)ccc3ccccc23)n1 111397535 JZVCGHFXWNOTKM-UHFFFAOYSA-N 565.632 9.488 5 30 KKBC COc1c(Cl)cc(Br)c(OC)c1C(=O)NC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 8626781 MBLMTQGELNTOEK-UHFFFAOYSA-N 527.542 5.297 5 30 KKBC O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3ccc(F)cc3F)cc2Cl)c(Cl)c1 2157864 MRAJHWVQCDWFPB-UHFFFAOYSA-N 509.701 6.426 5 30 KKBC C1=Cc2nc1c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([nH]3)c(-c3ccncc3)c3ccc([nH]3)c2-c2ccncc2)C=C1 4208829 WQCKXOJXOKSXQZ-UHFFFAOYSA-N 618.704 8.904 5 30 KKBC C1=Cc2nc1c(-c1ccncc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c(-c3ccncc3)c3ccc([nH]3)c2-c2ccccc2)C=C1 137894886 JFZMPMUVAUHIST-UHFFFAOYSA-N 616.728 10.114 5 30 KKBC CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 100058965 SZCBXWMUOPQSOX-JFTWVFJJSA-N 600.884 8.970 5 30 KKBC CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N@@+](CCNC(=O)CCCCCCCCCCCCCCC(C)C)(Cc1ccccc1)C[C@H](C)O 256090936 LCGHDIFQLFSQCO-DJFURPOBSA-O 799.347 13.242 5 30 KKBC CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccc6ccc7cccc8ccc5c6c78)CC[C@]4(C)[C@@H]3CC[C@@]21C 263584676 YXRDZOKEPVUJRV-BLPDMUOESA-N 614.914 12.151 5 30 KKBC O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-] 8617995 LNYLCZABJVJKMD-UHFFFAOYSA-N 518.205 7.377 5 30 KKBC CCCc1ccc(-c2ccc(C(=O)Oc3c(Br)cc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 2162791 JNBVKQIXEZRQCB-UHFFFAOYSA-N 508.290 7.215 5 30 KKBC CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@@H](O)C1 263584213 MUCOHWBULSBLLZ-MNLSVPGLSA-N 731.027 8.536 5 30 KKBC Cc1ccc(S(=O)(=O)C(=CNc2ccc(Sc3ncc(C(F)(F)F)cc3Cl)cc2)[N+](=O)[O-])cc1 2265279825 SOCSUPZSXRBPDV-UHFFFAOYSA-N 529.949 6.175 5 30 KKBC Cc1cc(S(=O)(=O)O)ccc1/N=c1/ccc2c(-c3ccccc3C(=O)O)c3ccc(Nc4ccccc4C)cc3oc-2c1 101133163 XRRSHJUXSQSJHZ-GMEAVFFOSA-N 590.657 7.742 5 30 KKBC CN1C[C@@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)[C@@]63C1 263583838 BYIDVSOOZTZTQB-NTGUUYCISA-N 777.756 16.239 5 30 KKBC C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3[C@@H](C)OC 299754691 HJJHWTQXKQILEI-OAQYLSRUSA-N 594.712 7.568 5 30 KKBC O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 299754728 MHPJVBXNJRHGKU-DIAQFWOFSA-N 718.717 9.699 5 30 KKBC O=c1c2ccc3c4ccc5c(=O)n(C6CCCCC6)c(=O)c6ccc(c7ccc(c(=O)n1C1CCCCC1)c2c37)c4c56 137384821 CHMHJESZTNVQSO-UHFFFAOYSA-N 554.646 6.973 5 30 KKBC O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@H]3[C@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 299754730 MHPJVBXNJRHGKU-ISXUYXOWSA-N 718.717 9.699 5 30 KKBC Cc1cc(-c2nnc(CSc3nnc(NC(=O)c4ccc(F)c(Cl)c4)s3)o2)ccc1[N+](=O)[O-] 3138578 MLIRGBBSVKBQNE-UHFFFAOYSA-N 506.928 5.142 5 30 KKBC C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@H](CC(=O)O)C(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@@H]3C 257157519 SIEXFRDYNDREBM-XNLAKEOASA-N 711.772 5.491 5 30 KKBC Cc1ccc(C[N+](C)(Cc2ccc(C)cc2)C[C@@H]2OC3(O[C@H]2C[N+](C)(Cc2ccc(C)cc2)Cc2ccc(C)cc2)[C@H](Cc2ccccc2)CCC[C@@H]3Cc2ccccc2)cc1 150340441 MLVDYLQAKGAVTP-WKHWDOIMSA-N 827.210 12.296 5 30 KKBC in-vitro O=C(O)c1cc2c(cc1[N+](=O)[O-])[C@@H]1[C@H]([C@H]3[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 299754712 JIWGWQKMTYEHQZ-BIIQFPBQSA-N 762.726 9.397 5 30 KKBC CCCCc1ccc2cc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccc(CCCC)nc3c2n1 100048271 WNZOEBAPYXQPTN-UHFFFAOYSA-N 518.530 6.936 5 30 KKBC COc1ccc(C(OC[C@H](O)COCCOCCOCCOCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 299803360 KZMGJGAHKFOBQB-UUWRZZSWSA-N 749.814 5.758 5 30 KKBC CN1CCC[C@@H]1CCNC(=O)c1cn2c3cc4ccccc4cc3oc3c(N4CC[C@@H](c5cnccn5)C4)c(F)cc(c1=O)c32 6717126 WOQIDNWTQOYDLF-DNQXCXABSA-N 604.686 5.489 5 30 KKBC biogenic,in-man CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc6ccc7cccc8ccc5c6c78)CC[C@]4(C)[C@@H]3CC[C@@]21C 263584678 YXRDZOKEPVUJRV-VSAOXHBUSA-N 614.914 12.151 5 30 KKBC COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC 254132309 LZVKNJYOWMYBAU-FVFJBYHSSA-N 855.170 10.149 5 30 KKBC CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N@+](C)(CCO)CCNC(=O)CCCCCCCCCCCCCCC(C)C 256066200 AAVFAXNDQBFANR-MFERNQICSA-O 709.222 11.283 5 30 KKBC Cc1cc(-c2nnc(CSc3nnc(NC(=O)c4ccc(C(C)(C)C)cc4)s3)o2)ccc1[N+](=O)[O-] 3138576 ZIZHUKPOIDEYJK-UHFFFAOYSA-N 510.601 5.647 5 30 KKBC O=C(Nc1cccc2c(=O)c3c(ccc4c5ccc6c(=O)c7ccccc7c7ccc([nH]c43)c5c67)c(=O)c12)c1ccccc1 100049499 MLXIUWALSIPJQP-UHFFFAOYSA-N 568.588 7.296 5 30 KKBC COc1ccc(C(OC[C@@H](O)COCCOCCOCCOCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 299803359 KZMGJGAHKFOBQB-UMSFTDKQSA-N 749.814 5.758 5 30 KKBC O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 95747999 UOPSLWHGIVJCAF-UHFFFAOYSA-N 628.459 7.958 5 30 KKBC Brc1cccc(-c2cc(-c3c4ccccc4cc4ccccc34)cc(-c3cccc(Br)n3)n2)n1 238809707 ZZHMCFLPOIGGTC-UHFFFAOYSA-N 567.284 8.704 5 30 KKBC C1=Cc2nc1c(-c1ccc3ccccc3c1)c1nc(c(-c3ccc4ccccc4c3)c3ccc([nH]3)c(-c3ccc4ccccc4c3)c3ccc([nH]3)c2-c2ccc3ccccc3c2)C=C1 197801458 AHNSSZKUEDSXSZ-UHFFFAOYSA-N 814.992 15.936 5 30 KKBC O=[N+]([O-])c1c(Sc2ccccc2Br)sc(Sc2ccccc2Br)c1[N+](=O)[O-] 8647946 VMECVKZWOQAYNY-UHFFFAOYSA-N 548.259 7.392 5 30 KKBC CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N@+](CCNC(=O)CCCCCCCCCCCCCCC(C)C)(Cc1ccccc1)C[C@@H](C)O 256090939 LCGHDIFQLFSQCO-ZOBNQSJBSA-O 799.347 13.242 5 30 KKBC O=C1[C@@H]2[C@H]3c4ccccc4[C@@H](c4c3sc3c4sc4cc5ccccc5cc43)[C@H]2C(=O)N1c1ccccc1 585662118 FPMSTHBKYOHKKO-VEYUFSJPSA-N 513.643 7.666 5 30 KKBC in-vitro CCCc1c(C(=O)OC)c(C(=O)OC)c(CCC)c2cc3c(CCC)c4ccccc4c(CCC)c3cc12 38311242 YIOLBGRRNPUFTE-UHFFFAOYSA-N 512.690 8.529 5 30 KKBC ClC1=C(/C=C/c2ccc3c4ccccc4ccc3[n+]2-c2ccccc2)CCC/C1=C\C=C1/C=Cc2c(ccc3ccccc23)N1c1ccccc1 150396685 WOHOTMUIKSXXHN-UHFFFAOYSA-N 676.283 12.788 5 30 KKBC O=c1c2ccc3c4ccc5c(=O)n(-c6cccc7cccnc67)c(=O)c6ccc(c7ccc(c(=O)n1-c1cccc8cccnc18)c2c37)c4c56 223950884 YRMOWVGISBUQAH-UHFFFAOYSA-N 644.646 7.038 5 30 KKBC CC1=C(/C=C/C2=C(Cl)/C(=C/C=C3\[C@H](C)c4c(ccc5ccccc45)[N+]3(C)C)CC2)[N+](C)(C)c2ccc3ccccc3c21 238790189 AVIHCLQTWRTIIZ-KEHMNEKRSA-N 571.208 10.342 5 30 KKBC Cc1ccc(C[N+](C)(Cc2ccc(C)cc2)C[C@H]2OC3(O[C@@H]2C[N+](C)(Cc2ccc(C)cc2)Cc2ccc(C)cc2)[C@H](Cc2ccccc2)CCC[C@H]3Cc2ccccc2)cc1 150340439 MLVDYLQAKGAVTP-DKXWSEGTSA-N 827.210 12.296 5 30 KKBC Cc1cc(-c2ccc(S(=O)(=O)O)cc2)c2ccc3c(-c4ccc(S(=O)(=O)O)cc4)cc(C)nc3c2n1 2575436 FBKZHCDISZZXDK-UHFFFAOYSA-N 520.588 5.227 5 30 KKBC biogenic,in-vitro O=C(Cc1ccccc1)N(c1ccccc1)[C@@H](NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1081306689 HDIUMCXPAFLRTC-OAQYLSRUSA-N 555.846 5.993 5 30 KKBC Cc1cc(Br)ccc1-n1c(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc2c1=O 2151798 MSMRBZQIFWGASD-UHFFFAOYSA-N 581.326 6.443 5 30 KKBC COC(=O)C1=CC=C2c3cc4nc(cc5[nH]c(cc6nc(cc([nH]3)[C@]2(C)[C@@H]1C(=O)OC)C([C@H](C)OC)=C6C)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C 604972806 MBELQTOATRFEBX-SVYKXYTKSA-N 736.822 6.367 5 30 KKBC COCCCn1c(Sc2ncc(Br)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 12370006 RBFIXMMYTCXELE-UHFFFAOYSA-N 506.426 5.496 5 30 KKBC CCc1ccc(-c2c3nc(c(-c4ccc(CC)cc4)c4ccc([nH]4)c(-c4ccc(CC)cc4)c4ccc([nH]4)c(-c4ccc(CC)cc4)c4nc2C=C4)C=C3)cc1 215508339 KPCZCLZYEQELCW-UHFFFAOYSA-N 726.968 13.573 5 30 KKBC O=C(O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc2C=C4)C=C3)cc1 95612203 SMOZAZLNDSFWAB-UHFFFAOYSA-N 790.788 10.116 5 30 KKBC in-vitro Cc1ccc(C[N+](C)(Cc2ccc(C)cc2)C[C@H]2OC3(O[C@@H]2C[N+](C)(Cc2ccc(C)cc2)Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)CCC[C@@H]3Cc2ccccc2)cc1 150340434 MLVDYLQAKGAVTP-ABDHSPIISA-N 827.210 12.296 5 30 KKBC CCOC(=O)c1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n(-c2ccccc2)c1C 12369540 WBNSNSPHHGCQDF-UHFFFAOYSA-N 505.552 5.338 5 30 KKBC COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 20431992 REGSETZROHMZEO-UHFFFAOYSA-N 521.573 5.924 5 30 KKBC COC(=O)C1=CC=C2c3cc4nc(cc5[nH]c(cc6nc(cc([nH]3)[C@]2(C)[C@H]1C(=O)OC)C(C)=C6CCC(=O)O)c(CCC(=O)O)c5C)C([C@H](C)OC)=C4C 604972809 YRTXVHPOHZTOGI-LGTIUSRLSA-N 736.822 6.367 5 30 KKBC O=C(Nc1ccccc1Sc1ccc([N+](=O)[O-])c(Sc2ccccc2NC(=O)C(Cl)(Cl)Cl)n1)C(Cl)(Cl)Cl 95704649 TVVOVAYEEIIXNL-UHFFFAOYSA-N 661.203 7.910 5 30 KKBC O=C(O)c1ccc(-c2c3nc(cc4nc(c(-c5ccc(C(=O)O)cc5)c5ccc(cc6ccc2[nH]6)[nH]5)C=C4)C=C3)cc1 202476578 DTFGQFXPLRKNRJ-UHFFFAOYSA-N 550.574 7.386 5 30 KKBC O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2noc(-c3cccnc3Oc3ccccc3)n2)cc1 2162713 BCHAUYJNAOEGPD-UHFFFAOYSA-N 520.423 7.310 5 30 KKBC O=c1c2ccccc2c2ccc3c4ccc5c6c([N+](=O)[O-])cccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 98090797 MZPAVGIANCNWEH-UHFFFAOYSA-N 501.497 7.854 5 30 KKBC CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C 2265366068 NZCRJKRKKOLAOJ-WJXUFXKVSA-N 785.891 6.158 5 30 KKBC CN(C)c1ccc(-n2c(=O)c3ccc4c5ccc6c(=O)n(-c7ccc(N(C)C)cc7)c(=O)c7ccc(c8ccc(c2=O)c3c48)c5c67)cc1 201449002 XAEKPVDPVMABGP-UHFFFAOYSA-N 628.688 6.073 5 30 KKBC c1ccc(Sc2ccc3c(c2)-c2nc-3nc3[nH]c(nc4nc(nc5[nH]c(n2)c2ccc(Sc6ccccc6)cc52)-c2ccc(Sc5ccccc5)cc2-4)c2ccc(Sc4ccccc4)cc32)cc1 150477566 RHYBFKMCKVGBOA-UHFFFAOYSA-N 947.212 15.474 5 30 KKBC O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c(Cl)c1 2157867 MNXQGBVBFMSHAL-UHFFFAOYSA-N 541.718 7.167 5 30 KKBC O=c1c2ccc3c4ccc5c(=O)n(-c6ccc(Cl)cc6Cl)c(=O)c6ccc(c7ccc(c(=O)n1-c1ccc(Cl)cc1Cl)c2c37)c4c56 223648726 HQHGBVXTIVMUPA-UHFFFAOYSA-N 680.330 8.555 5 30 KKBC COc1cc2c3ccccc3c(=O)c3ccc4c5c(OC)cc6c7ccccc7c(=O)c7ccc(c1c4c32)c5c76 31302875 QAYWRCZPILDEGZ-UHFFFAOYSA-N 516.552 7.963 5 30 KKBC O=c1c2ccccc2c2ccc3c4c(Cl)c(Cl)c5c(=O)c6ccccc6c6ccc(c7c(Cl)cc1c2c37)c4c56 200256285 UBHUUYLNOKFVTI-UHFFFAOYSA-N 559.835 9.906 5 30 KKBC CCCc1ccc2cc3cc4c(CCC)c(C(=O)OC)c(C(=O)OC)c(CCC)c4c(CCC)c3c(CCC)c2c1CCC 100284163 QWUGYTPUZHSYPH-UHFFFAOYSA-N 596.852 10.434 5 30 KKBC O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Sc1ccc(Cl)cc1 8618018 OTOGDIKZJKKNKW-UHFFFAOYSA-N 523.341 6.872 5 30 KKBC CCCCCOc1cc2c(cc1O)c1cc(OCCCCC)c(OCCCCC)cc1c1cc(O)c(OCCCCC)cc12 100007505 RRXLJTWVCLAAJD-UHFFFAOYSA-N 604.828 10.833 5 30 KKBC O=C(Nc1c(Br)cc(Br)cc1C(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 3046296 PQNGGMRPGJBURW-UHFFFAOYSA-N 537.139 5.764 5 30 KKBC CCCCN(CCCC)C(=O)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 38647465 SGPMBCWVUOBUPW-DEOSSOPVSA-N 514.415 8.171 5 30 KKBC O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2ccc(Br)cc2Br)c(-c2ccc(Br)cc2Br)c1 150364966 XZVKILKZHMYQNR-UHFFFAOYSA-N 727.985 9.679 5 30 KKBC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCCCCC(=O)c5ccc6ccc7cccc8ccc5c6c78)CC[C@]4(C)[C@H]3CC[C@@]21C 604935101 JYIBHPZQBJUZTG-ZZPHPKPNSA-N 755.140 14.841 5 30 KKBC O=C(c1c2ccccc2cc2cccc(-c3ccccc3)c12)c1c2ccccc2cc2cccc(-c3ccccc3)c12 100104907 GCPWKENMTQNZCU-UHFFFAOYSA-N 534.658 10.864 5 30 KKBC Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-] 8617998 LOFRIDVTSOLNSQ-UHFFFAOYSA-N 500.363 7.269 5 30 KKBC C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3C=C 4691948 LQBPATQBTSBIIH-UHFFFAOYSA-N 590.724 7.985 5 30 KKBC O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 2143927 XNSWSCAGQZQTPE-UHFFFAOYSA-N 524.234 7.160 5 30 KKBC COc1ccccc1[C@H](C)N([C@@H](C)c1ccccc1OC)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 136581637 SCPIPBUVJMWXLH-UIOOFZCWSA-N 599.667 11.074 5 30 KKBC COC(=O)C1=CC=C2c3cc4nc(cc5[nH]c(cc6nc(cc([nH]3)[C@]2(C)[C@H]1C(=O)OC)C(C)=C6CCC(=O)O)c(CCC(=O)O)c5C)C([C@@H](C)OC)=C4C 604972808 YRTXVHPOHZTOGI-BCWHBENHSA-N 736.822 6.367 5 30 KKBC CCn1c2ccccc2c2cc(/C=C/c3c4ccccc4c(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c4ccccc34)ccc21 100053341 LBXZDTJJURXBKT-CDTUYSNOSA-N 616.808 12.589 5 30 KKBC CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 100058961 SZCBXWMUOPQSOX-AEQAXKLNSA-N 600.884 8.970 5 30 KKBC biogenic,in-vitro Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2161405 MQOGESWWBGCNDX-UHFFFAOYSA-N 553.276 7.895 5 30 KKBC C(=C(c1ccccc1)c1ccccc1)c1c2ccccc2c(C=C(c2ccccc2)c2ccccc2)c2ccccc12 100216081 FVOGKFGLSYHBNP-UHFFFAOYSA-N 534.702 11.171 5 30 KKBC Cc1cc(S(=O)(=O)O)cc(C)c1/N=c1\ccc2c(-c3ccccc3S(=O)(=O)O)c3ccc(Nc4c(C)cccc4C)cc3oc-2c1 150339913 QZPQXSCEAPSWHL-AUGOTPMTSA-N 654.766 7.908 5 30 KKBC in-vitro Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)CC1 150484238 CMQQTJQUFFZBLX-UHFFFAOYSA-N 645.600 5.478 5 30 KKBC COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N2C(=O)N[C@@H]3[C@H](CCCCC(=O)Oc4ccccc4[N+](=O)[O-])SC[C@@H]32)cc1 150663987 HWHJXCMCVVLDTI-YXSDWHQUSA-N 667.784 6.948 5 30 KKBC CN1C[C@@]23c4c5c6c7c8c9c(c%10c%11c2c2c%12c4c4c%13c5c5c7c7c8c8c%14c9c%10c9c%10c%11c2c2c%11c%12c4c4c%12c%13c5c5c7c7c8c8c%14c9c9c%10c2c2c%11c4c4c%12c5c7c5c8c9c2c45)[C@]63C1 263583839 BYIDVSOOZTZTQB-ZMTHGCTPSA-N 777.756 16.239 5 30 KKBC Cc1ccc(OC[C@H]2SCCN2C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c([N+](=O)[O-])c1 8618070 CFZFUZNYHYHBBJ-GOSISDBHSA-N 508.383 5.768 5 30 KKBC COc1c(Cl)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 8626777 QHANDHTUEMAMPX-UHFFFAOYSA-N 515.750 5.265 5 30 KKBC O=c1c2ccccc2c2cc3c(Cl)cc4c(=O)c5c(Br)c(Br)ccc5c5cc6c(Cl)cc1c2c6c3c45 150361272 PFKGBHLOPWYCNL-UHFFFAOYSA-N 633.122 9.625 5 30 KKBC C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5c(C=C)c(C)c(cc1n2)n5C)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C 4208857 FLSULRWQMFRTSB-UHFFFAOYSA-N 576.697 7.514 5 30 KKBC COc1ccccc1C1CCN(S(=O)(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)CC1 8647827 CKMANEIVZFZJEU-UHFFFAOYSA-N 502.976 5.617 5 30 KKBC Cc1c([N+](=O)[O-])ccc(Oc2ccc([N+](=O)[O-])c(C)c2-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl 201155141 QDWSGSWRPQSGGV-UHFFFAOYSA-N 578.235 9.860 5 30 KKBC Oc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1 2265385821 YEFDFEZZLSLNJX-UHFFFAOYSA-N 630.751 11.029 5 30 KKBC COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cc1 95704600 KYHFSPNYZYYZQV-UHFFFAOYSA-N 525.361 7.150 5 30 KKBC Ic1c(-c2ccccc2)nn2c1n1nc(-c3ccccc3)c(I)c1n1nc(-c3ccccc3)c(I)c21 8397706 IMRZJSGPGOHXOB-UHFFFAOYSA-N 804.171 7.445 5 30 KKBC CC(C)(C)C(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])c(Sc2ccccc2NC(=O)C(C)(C)C)n1 95704652 RLBSXIWMSISJBH-UHFFFAOYSA-N 538.695 7.261 5 30 KKBC COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95747869 FYQSGYSOFLQAGA-UHFFFAOYSA-N 560.201 5.374 5 30 KKBC CC(C)(c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 2243091 DZANUCWHWPTNPR-UHFFFAOYSA-N 598.611 5.364 5 30 KKBC O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@]3(c4ccccc4C(c4ccccc4)(c4ccccc4)N3c3ccccc3)N2c2ccccc2)cc1 8402754 MHMJSZPKPDAMKI-WBVITSLISA-N 675.792 9.906 5 30 KKBC Cc1ccc(C[N+](C)(Cc2ccc(C)cc2)C[C@@H]2OC3(O[C@H]2C[N+](C)(Cc2ccc(C)cc2)Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)CCC[C@@H]3Cc2ccccc2)cc1 150340443 MLVDYLQAKGAVTP-DTGAMEDASA-N 827.210 12.296 5 30 KKBC in-vitro CC1=C(/C=C/C2=C(Cl)/C(=C/C=C3\[C@@H](C)c4c(ccc5ccccc45)[N+]3(C)C)CC2)[N+](C)(C)c2ccc3ccccc3c21 238790188 AVIHCLQTWRTIIZ-ROXXAIAESA-N 571.208 10.342 5 30 KKBC O=S(=O)(O)c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc2C=C4)C=C3)cc1 150358944 YAVMDSYMZGJNES-UHFFFAOYSA-N 935.008 8.310 5 30 KKBC in-vitro CC(C)(C)c1ccc(C(=O)N2C(=O)N[C@@H]3[C@H](CCCCC(=O)Oc4ccccc4[N+](=O)[O-])SC[C@@H]32)cc1 43771653 OSELJWZMRZIJEH-SSPYTLHUSA-N 525.627 5.076 5 30 KKBC COc1ccc(-c2c3nc(c(-c4ccc(OC)c(OC)c4)c4ccc([nH]4)c(-c4ccc(OC)c(OC)c4)c4nc(c(-c5ccc(OC)c(OC)c5)c5ccc2[nH]5)C=C4)C=C3)cc1OC 150351151 YANDMGSAMLTJFY-UHFFFAOYSA-N 854.960 11.392 5 30 KKBC O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2cccc(Cl)c2Cl)c(-c2cccc(Cl)c2Cl)c1 585139119 BXNBVHLVRUKOLC-UHFFFAOYSA-N 550.181 9.243 5 30 KKBC O=C(O)c1cc2c(cc1[N+](=O)[O-])[C@@H]1[C@H]([C@@H]3[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 299754715 JIWGWQKMTYEHQZ-PZKYGYAZSA-N 762.726 9.397 5 30 KKBC O=c1c2cccc(Br)c2c2cc3ccc4c(=O)c5cccc(Br)c5c5cc6ccc1c2c6c3c45 100045386 WNOPKBDQTGJZFF-UHFFFAOYSA-N 564.232 8.318 5 30 KKBC CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)O[C@H]1c2cc3ccc4cccc5ccc(c2C=C[C@H]1OC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c3c45 256459337 ZZIKYQVNLSPNCZ-GJZQFVRLSA-N 678.910 10.062 5 30 KKBC Cc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc([nH]5)c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 2265385772 SOCYJKQCYYKUSG-UHFFFAOYSA-N 672.832 11.955 5 30 KKBC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1 8628190 AQCXSGQNNQWCSF-UHFFFAOYSA-N 526.380 5.618 5 30 KKBC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8626533 LVMXSTRRKOIEBF-UHFFFAOYSA-N 529.302 5.846 5 30 KKBC Cc1cc(C(C)(C)C)c2op(-c3ccccc3-c3ccccc3-p3oc4c(C(C)(C)C)cc(C)c(C)c4c4c(C)c(C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C)c(C)c3c2c1C 263584345 QLKRJPPUSVZYBH-UHFFFAOYSA-N 919.180 20.196 5 30 KKBC COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC 254132321 LZVKNJYOWMYBAU-UPVSNBQXSA-N 855.170 10.149 5 30 KKBC CC(C)(C)c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(C)(C)C)cc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8626758 CCHPWHQANFFJQQ-UHFFFAOYSA-N 600.512 9.720 5 30 KKBC Cc1ccc(OC[C@@H]2SCCN2C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c([N+](=O)[O-])c1 8618071 CFZFUZNYHYHBBJ-SFHVURJKSA-N 508.383 5.768 5 30 KKBC C1=C2c3ccc4c5ccc6c7ccc8c9ccc%10c%11c%12c%13c%14c(c3c4c3c5c6c4c7c8c(c%119)c%13c4c%143)[C@@]23[C@H](c2ccccc2)N(c2ccccc2)C[C@]%123C%10=C1 2242148284 PEBDSNGLZANRIY-FWDYBBSASA-N 685.785 13.433 5 30 KKBC COc1ccc(NC(=O)c2ccccc2)c2c(=O)c3ccc4c5cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c6c5[nH]c4c3c(=O)c12 95811118 RPQNSJZVMKWIRT-UHFFFAOYSA-N 695.687 6.764 5 30 KKBC CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N@@+](C)(CCO)CCNC(=O)CCCCCCCCCCCCCCC(C)C 256066201 AAVFAXNDQBFANR-QZNUWAOFSA-O 709.222 11.283 5 30 KKBC Cc1ccc(C[N+](C)(Cc2ccc(C)cc2)C[C@@H]2OC3(O[C@H]2C[N+](C)(Cc2ccc(C)cc2)Cc2ccc(C)cc2)[C@H](Cc2ccccc2)CCC[C@H]3Cc2ccccc2)cc1 150340445 MLVDYLQAKGAVTP-BNCXHCIVSA-N 827.210 12.296 5 30 KKBC in-vitro CC(=C/C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)(C)C[C@@H](O)C[C@@]1(C)O 263584477 UOFVIYXYKMPTKC-PMBUYOMDSA-N 602.900 8.953 5 30 KKBC CO[C@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 210911923 MQCCJEYZKWZQHU-MATNBXKWSA-N 584.632 5.547 5 30 KKBC biogenic O=C(O)c1cc2c(cc1[N+](=O)[O-])[C@@H]1[C@H]([C@H]3[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 299754714 JIWGWQKMTYEHQZ-CRVLCSOWSA-N 762.726 9.397 5 30 KKBC O=c1c2cc(Cl)ccc2c2cc(Cl)c3c4c(Cl)cc5c6ccc(Cl)cc6c(=O)c6ccc(c7ccc1c2c73)c4c65 100049646 DCIGCIBVJSBHMN-UHFFFAOYSA-N 594.280 10.560 5 30 KKBC O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 299754729 MHPJVBXNJRHGKU-HJDGXZFKSA-N 718.717 9.699 5 30 KKBC CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N@@+](CCNC(=O)CCCCCCCCCCCCCCC(C)C)(Cc1ccccc1)C[C@@H](C)O 256090942 LCGHDIFQLFSQCO-ZWDFXXDJSA-O 799.347 13.242 5 30 KKBC O=[N+]([O-])c1ccc(Oc2cccc(N3CCN(c4cccc(Oc5ccc([N+](=O)[O-])cn5)c4)CC3)c2)nc1 8626700 VMKLYLLBZHCMIJ-UHFFFAOYSA-N 514.498 5.204 5 30 KKBC O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 3162367 HQPRPEIZUAJRPI-UHFFFAOYSA-N 521.377 6.132 5 30 KKBC C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)O)=C4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC 58568865 MNCZEEFHIBYYSK-ZSFNYQMMSA-N 718.807 6.607 5 30 KKBC in-vitro COC(=O)c1cnc(Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 95703714 ICZAEGFOCHTXQJ-UHFFFAOYSA-N 531.638 6.596 5 30 KKBC O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1Sc1ncc([N+](=O)[O-])cc1C(F)(F)F 95703710 KWFLJDBQPKFGRS-UHFFFAOYSA-N 518.395 6.702 5 30 KKBC C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@H](CC(=O)O)C(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@@H](CCC(=O)O)[C@H]3C 257157518 SIEXFRDYNDREBM-WTDSCPOPSA-N 711.772 5.491 5 30 KKBC O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(-c3[nH]c(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)cc2)cc1 8399914 WDIMKQNXWZTSQW-UHFFFAOYSA-N 604.626 8.951 5 30 KKBC c1ccc(Cc2cc3cc(c2)Oc2cc(Cc4ccccc4)cc(c2)Oc2cc(Cc4ccccc4)cc(c2)Oc2cc(Cc4ccccc4)cc(c2)O3)cc1 299803347 KJQHQLQSOHGORW-UHFFFAOYSA-N 728.888 13.532 5 30 KKBC O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)c(Cl)c2)c1 299803516 VZBAOXPCJWBTJW-UHFFFAOYSA-N 550.181 9.243 5 30 KKBC O=C(c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 3179761 PPJFLBRNHWSAHL-UHFFFAOYSA-N 502.523 6.461 5 30 KKBC CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)O[C@H]1c2cc3ccc4cccc5ccc(c2C=C[C@H]1OC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c3c45 256459342 ZZIKYQVNLSPNCZ-IGUSXAFFSA-N 678.910 10.062 5 30 KKBC O=C1OC(=Cc2ccc([N+](=O)[O-])cc2)C(c2ccc(Cl)cc2)=C1c1ncc(C(F)(F)F)cc1Cl 2265278846 DVADYNIXSLYIAC-UHFFFAOYSA-N 507.251 6.824 5 30 KKBC CCCCN(CCCC)[C@@H](O)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 33637055 WYFARUIMFVPKFV-RPBOFIJWSA-N 516.431 7.963 5 30 KKBC COC(=O)C1=CC=C2c3cc4nc(cc5[nH]c(cc6nc(cc([nH]3)[C@]2(C)[C@@H]1C(=O)OC)C([C@@H](C)OC)=C6C)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C 604972807 MBELQTOATRFEBX-ZDCXVJCJSA-N 736.822 6.367 5 30 KKBC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)O[C@H]1c2cc3ccc4cccc5ccc(c2C=C[C@H]1OC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c3c45 256459346 ZZIKYQVNLSPNCZ-QMGQCOLKSA-N 678.910 10.062 5 30 KKBC COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC 254132318 LZVKNJYOWMYBAU-TVXRXWBFSA-N 855.170 10.149 5 30 KKBC O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@@H]3[C@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 299754731 MHPJVBXNJRHGKU-XIFQKTGQSA-N 718.717 9.699 5 30 KKBC C[n+]1c(/C=C/C=C2/C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN3C=C/C(=C/C=C/c4sc5ccccc5[n+]4C)c4ccccc43)c3ccccc32)sc2ccccc21 150343172 SZJNGQCBHHLOBB-UHFFFAOYSA-N 847.255 10.649 5 30 KKBC O=C(NCC1CC1)c1ccccc1NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 8626535 IEWUBZDPAFAWDR-UHFFFAOYSA-N 570.838 6.288 5 30 KKBC Oc1ccc(-c2c3ccc([nH]3)c(-c3ccc(Cl)cc3)c3nc(c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 2265385810 XKXWZIGGNQPIEO-UHFFFAOYSA-N 734.086 12.989 5 30 KKBC O=c1c2ccc3c4ccc5c(=O)n(Cc6ccccc6)c(=O)c6ccc(c7ccc(c(=O)n1Cc1ccccc1)c2c37)c4c56 139140274 YOJIBFGEZMEOMM-UHFFFAOYSA-N 570.604 6.060 5 30 KKBC O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1Sc1ncc([N+](=O)[O-])cc1C(F)(F)F 12370040 MCEOGNRRTQJXFM-UHFFFAOYSA-N 503.289 7.111 5 30 KKBC COc1cc2c3cc(Br)ccc3c(=O)c3ccc4c5ccc6c(=O)c7ccc(Br)cc7c7cc(OC)c(c1c4c32)c5c67 150359577 UYMSZDJQKLPTOA-UHFFFAOYSA-N 674.344 9.488 5 30 KKBC COC(=O)C1=CC=C2c3cc4nc(cc5[nH]c(cc6nc(cc([nH]3)[C@]2(C)[C@H]1C(=O)OC)C([C@H](C)OC)=C6C)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C 604972805 MBELQTOATRFEBX-LGTIUSRLSA-N 736.822 6.367 5 30 KKBC O=C(c1ccc([N+](=O)[O-])cc1)N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2s1 2151925 MBBJMEDAYXDWBC-UHFFFAOYSA-N 511.403 7.221 5 30 KKBC O=C(CCCN1CCC2(CC1)C(=O)N(CCc1ccc([N+](=O)[O-])cc1)CN2c1ccccc1)c1ccc(F)cc1 72132319 VAROERVHUKRDNF-UHFFFAOYSA-N 544.627 5.080 5 30 KKBC in-vitro C[C@H]1CCCC(C)(C)[C@H]1CC[C@@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C 3875531 YECRYLBCIYSJSO-FJJUJKLISA-N 535.002 9.962 5 30 KKBC in-man CC(C)(C)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2cccc(C(F)(F)F)c2)cc1 3129582 PSNIVCQKGOJHRC-UHFFFAOYSA-N 512.557 7.451 5 30 KKBC O=C(Nc1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Nc1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 8616523 CCKPYEANGDGOLW-UHFFFAOYSA-N 588.544 5.642 5 30 KKBC C[n+]1c(/C=C/C=C2C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN3C=CC(=C/C=C/c4sc5ccccc5[n+]4C)C=C3)C=C2)sc2ccccc21 87515707 FITLPWMOYIANJO-UHFFFAOYSA-N 747.135 8.354 5 30 KKBC in-vitro O=c1nc(N2CCC(CN3CCC(C(F)(F)F)CC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857651641 UFMNTAVTSIJODG-UHFFFAOYSA-N 524.487 5.074 5 30 KKBC C[C@@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 77311707 FPWKKDQDBGGPFW-YQNDJBSVSA-N 583.637 6.253 5 30 KKBC in-vitro CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N@+](CCNC(=O)CCCCCCCCCCCCCCC(C)C)(Cc1ccccc1)C[C@H](C)O 256090937 LCGHDIFQLFSQCO-RIEGSGGXSA-O 799.347 13.242 5 30 KKBC C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@H](CC(=O)O)C(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@H](CCC(=O)O)[C@H]3C 257157520 SIEXFRDYNDREBM-YQWIOWDRSA-N 711.772 5.491 5 30 KKBC O=[N+]([O-])c1cc(Br)cnc1Sc1nnc(SCc2cccc(C(F)(F)F)c2)s1 95703718 KCRMFBBUTOGIDP-UHFFFAOYSA-N 509.354 6.066 5 30 KKBC O=C1[C@H]2[C@H]3c4ccccc4[C@@H](c4c3sc3c4sc4cc5ccccc5cc43)[C@H]2C(=O)N1c1ccccc1 585662117 FPMSTHBKYOHKKO-POTDNYQPSA-N 513.643 7.666 5 30 KKBC in-vitro COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc(O)c6c(=O)cc(C)oc6c5c4OC)c2c1)O[C@@](C)(O)CC3=O 85763455 XWHLKURAEUPHAB-JGCGQSQUSA-N 588.565 5.194 5 30 KKBC in-vitro CC1(C)CC2(CC(C)(C)c3cc([N+](=O)[O-])c(OCc4ccccc4)cc32)c2cc(OCc3ccccc3)c([N+](=O)[O-])cc21 1857787583 NFWISNGBMHTORA-UHFFFAOYSA-N 578.665 8.310 5 30 KKBC Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(N)cc4)c4ccc([nH]4)c(-c4ccccc4)c4nc2C=C4)C=C3)cc1 2265385725 JVSNRIQKINCWIC-UHFFFAOYSA-N 644.782 10.488 5 30 KKBC CCOC(=O)N=c1ccc2c3ccc(NC(=O)OCC)cc3c(-c3ccccc3)n(CCCN(CC)CC)c-2c1 503969459 DQIPLULBZCEFGJ-UHFFFAOYSA-N 542.680 6.771 5 30 KKBC in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCC[N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 135636050 ZLLOGORYNRZLMW-FLFWOSPYSA-O 515.847 7.829 5 30 KKBC in-vitro CN(C[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)[C@@H](F)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2048485879 SULKDWDDLMZPBX-OWAPCWAPSA-N 763.593 5.433 5 30 KKBC O=C(Nc1ccccc1Sc1ccc([N+](=O)[O-])c(Sc2ccccc2NC(=O)c2cccs2)n1)c1cccs1 95704646 QAEDFMAXJWWBJA-UHFFFAOYSA-N 590.733 7.920 5 30 KKBC COC(=O)C1=CC=C2c3cc4nc(cc5[nH]c(cc6nc(cc([nH]3)[C@]2(C)[C@@H]1C(=O)OC)C(C)=C6CCC(=O)O)c(CCC(=O)O)c5C)C([C@@H](C)OC)=C4C 604972811 YRTXVHPOHZTOGI-ZDCXVJCJSA-N 736.822 6.367 5 30 KKBC Cc1ccc(NS(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc(C)cc5)cc4c(=O)c3c2)cc1 1616057449 RKSKUPQRZKQSMJ-UHFFFAOYSA-N 534.615 5.165 5 30 KKBC O=c1c2ccccc2c2ccc3c4ccc5c6c([N+](=O)[O-])c([N+](=O)[O-])ccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 100126088 RKKHXNCOWUVEPN-UHFFFAOYSA-N 546.494 7.762 5 30 KKBC Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 2157885 QUYSUQNNDCWGPP-UHFFFAOYSA-N 513.000 6.024 5 30 KKBC O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 2162582 NALZTKJVOPWHKL-UHFFFAOYSA-N 564.394 8.792 5 30 KKBC COc1nc2c3ccccc3c(=O)c3ccc4c5c(OC)nc6c7ccccc7c(=O)c7ccc(c1c4c32)c5c76 111870385 BLKCDOIRQUQMOG-UHFFFAOYSA-N 518.528 6.753 5 30 KKBC COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 8618129 VITSFDCYQGPYGZ-UHFFFAOYSA-N 502.448 5.055 5 30 KKBC c1ccc(Oc2ccc3c(c2)-c2nc-3nc3[nH]c(nc4nc(nc5[nH]c(n2)c2ccc(Oc6ccccc6)cc52)-c2ccc(Oc5ccccc5)cc2-4)c2ccc(Oc4ccccc4)cc32)cc1 150661832 YQCQRPXVCLGQGD-UHFFFAOYSA-N 882.940 14.038 5 30 KKBC O=C1[C@@H]2[C@H]3c4ccccc4[C@@H](c4c3sc3c4sc4cc5ccccc5cc43)[C@@H]2C(=O)N1c1ccccc1 585662116 FPMSTHBKYOHKKO-FXSWLTOZSA-N 513.643 7.666 5 30 KKBC in-vitro CC(C)(C)c1ccc(-c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2-c2cccc(C(F)(F)F)c2)cc1 3119851 PQIWHMBGNCHQBA-UHFFFAOYSA-N 566.527 8.329 5 30 KKBC O=c1c2ccccc2c2cc3ccc4c(=O)c5c(Br)c(Br)c(Br)cc5c5cc6ccc1c2c6c3c45 150366267 UONIWDRQOAPMNV-UHFFFAOYSA-N 643.128 9.080 5 30 KKBC Cc1cccc(-n2c(=O)c3ccc4c5ccc6c(=O)n(-c7cccc(C)n7)c(=O)c7ccc(c8ccc(c2=O)c3c48)c5c67)n1 299803386 NAHOJAAGZBZKKV-UHFFFAOYSA-N 572.580 5.348 5 30 KKBC Brc1c2ccc(-c3ccc4ccccc4c3)cc2c(Br)c2ccc(-c3ccc4ccccc4c3)cc12 215643412 VUXGFQFKELNMKI-UHFFFAOYSA-N 588.342 11.158 5 30 KKBC COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)[n+](-c3ccc(-c4ccc(-[n+]5nc(-c6ccc(OC)cc6)nn5-c5ccc([N+](=O)[O-])cc5)c(OC)c4)cc3OC)n2)cc1 150346992 HMRHOGGPBOORCF-UHFFFAOYSA-N 806.796 6.253 5 30 KKBC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Oc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2162525 ZXGOUZBLDZJEJA-UHFFFAOYSA-N 536.821 7.381 5 30 KKBC CC(C)(C)c1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2162965 NDZIQFVCUXXYHX-UHFFFAOYSA-N 544.404 8.423 5 30 KKBC Cc1ccc(S(=O)(=O)Nc2cc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])cc2NS(=O)(=O)c2ccc(C)cc2)cc1 8626791 QWJCXRVGPVPHFP-UHFFFAOYSA-N 604.131 6.618 5 30 KKBC O=c1c2ccccc2c2ccc3c4ccc5c(=O)c6cc(Br)ccc6c6ccc(c7ccc1c2c37)c4c56 100048850 XUSDWZAXWXOCCJ-UHFFFAOYSA-N 535.396 8.709 5 30 KKBC O=C(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 3119977 FRGZLKOPRXSZPJ-UHFFFAOYSA-N 514.243 6.675 5 30 KKBC O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccc(Nc2ccccc2)c(S(=O)(=O)O)c1 111890023 SACDZYZLZGGBFR-UHFFFAOYSA-N 540.579 5.130 5 30 KKBC CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc6ccc7cccc8ccc5c6c78)CC[C@]4(C)[C@H]3CC[C@@]21C 263584677 YXRDZOKEPVUJRV-REKKXUCZSA-N 614.914 12.151 5 30 KKBC O=c1c2ccccc2nc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1CCc1ccccc1 2151801 AUQDJBCFYAIRCZ-UHFFFAOYSA-N 516.457 5.626 5 30 KKBC O=C(c1ccccc1)c1c(-c2ccc(Cl)cc2Cl)nn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 8636735 WEALCYVYDUBLJJ-UHFFFAOYSA-N 514.368 7.652 5 30 KKBC C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3[C@H](C)OC 299754690 HJJHWTQXKQILEI-NRFANRHFSA-N 594.712 7.568 5 30 KKBC CC(C)c1nc(CN(C)C(=O)N[C@H](CC[N+]2([O-])CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 757068378 QWOYZJRAXNISAT-KIGLDFBWSA-N 792.041 6.013 5 30 KKBC COc1cc([C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c([N+](=O)[O-])cc1OCCCC(=O)O 33582589 JWESTWISAMMBBU-QGZVFWFLSA-N 520.538 5.447 5 30 KKBC biogenic COc1ccc(/C=C2/S[C@@]3(SC(c4ccc(Cl)cc4Cl)=NN3c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)C2=O)cc1 95725773 HTRYXXDJUDWPNJ-YLKQWKBVSA-N 635.554 8.258 5 30 KKBC CC(C)c1nc(CN(C)C(=O)N[C@H](CC[N+]2([O-])CCOCC2)C(=O)N[C@@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 757068381 QWOYZJRAXNISAT-XNPVHZECSA-N 792.041 6.013 5 30 KKBC CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O 25987519 JUFKZJDUYOXXML-UHFFFAOYSA-N 626.842 5.862 5 30 KKBC O=C(Cc1ccccc1)N(c1ccccc1)[C@H](NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1081306688 HDIUMCXPAFLRTC-NRFANRHFSA-N 555.846 5.993 5 30 KKBC O=C1[C@H]2[C@H]3c4ccccc4[C@@H](c4sc5c(sc6cc7ccccc7cc65)c43)[C@@H]2C(=O)N1c1ccccc1 585662119 FPMSTHBKYOHKKO-XPGKHFPBSA-N 513.643 7.666 5 30 KKBC in-vitro CC(C)c1nc(CN(C)C(=O)N[C@H](CC[N+]2([O-])CCOCC2)C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 757068380 QWOYZJRAXNISAT-VLSLJKOQSA-N 792.041 6.013 5 30 KKBC C1=C2c3ccc4c5ccc6c7ccc8c9ccc%10c%11c%12c%13c%14c(c3c4c3c5c6c4c7c8c(c%119)c%13c4c%143)[C@]23CN(c2ccccc2)[C@H](c2ccccc2)[C@]%123C%10=C1 2242148286 PEBDSNGLZANRIY-NQOURYSSSA-N 685.785 13.433 5 30 KKBC Cc1ccc(OCc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c2c1CCC2 1043364 HAGXXOBYVWWWBI-UHFFFAOYSA-N 500.580 5.527 5 30 KKBC Clc1ccccc1-c1c2nc(c(-c3ccccc3Cl)c3ccc([nH]3)c(-c3ccccc3Cl)c3nc(c(-c4ccccc4Cl)c4ccc1[nH]4)C=C3)C=C2 95725717 GEHPICAZCITNQL-UHFFFAOYSA-N 752.532 13.937 5 30 KKBC O=C(c1ccc(C(F)(F)F)cc1)N(c1ccccc1)n1c(-c2cccc([N+](=O)[O-])c2)csc1=S 2151125 KQXOJGAMCUUMPA-UHFFFAOYSA-N 501.511 6.983 5 30 KKBC COc1ccc(/C=C2/S[C@]3(SC(c4ccc(Cl)cc4Cl)=NN3c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)C2=O)cc1 95725772 HTRYXXDJUDWPNJ-CCLVUABDSA-N 635.554 8.258 5 30 KKBC CCCCc1ccc(N(c2ccc(C)cc2)c2c(N(c3ccc(C)cc3)c3ccc(CCCC)cc3)c3ccccc3c3ccccc23)cc1 78454401 RWQUWTMOHXGTNN-UHFFFAOYSA-N 652.926 14.235 5 30 KKBC COc1cc([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c([N+](=O)[O-])cc1OCCCC(=O)O 33582591 JWESTWISAMMBBU-KRWDZBQOSA-N 520.538 5.447 5 30 KKBC biogenic CCCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCC)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 34474963 CWHMZCIGSFLVHB-UHFFFAOYSA-N 502.570 5.563 5 30 KKBC O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2Cl)c(Cl)c1 2157860 SRSULLXFUCNVOF-UHFFFAOYSA-N 526.156 6.941 5 30 KKBC O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 1026416 AAXPHZSTFUDCNF-UHFFFAOYSA-N 541.463 5.368 5 30 KKBC C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5[C@H](C)OC)c(C)c4CCC(=O)O)C(CCC(=O)O)=C3C 299754765 PFFLXSOQSXIGML-NRFANRHFSA-N 594.712 7.353 5 30 KKBC C1=C2c3ccc4c5ccc6c7ccc8c9ccc%10c%11c%12c%13c%14c(c3c4c3c5c6c4c7c8c(c%119)c%13c4c%143)[C@@]23[C@@H](c2ccccc2)N(c2ccccc2)C[C@]%123C%10=C1 2242148287 PEBDSNGLZANRIY-TXJRPUIYSA-N 685.785 13.433 5 30 KKBC C=CC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4CCC(=O)O)C(CCC(=O)O)=C3C 100235333 OXTIQTUKEUGAPP-UHFFFAOYSA-N 562.670 7.504 5 30 KKBC in-vitro Cc1cc(Oc2ccc([N+](=O)[O-])cn2)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cn2)cc1C 8629340 KHLUMCBDFOHZMJ-UHFFFAOYSA-N 602.713 9.241 5 30 KKBC Cc1cc(CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)cc1CSc1nc2ccc([N+](=O)[O-])cc2s1 3119231 QBJIIVZZBKFTPZ-UHFFFAOYSA-N 554.700 7.924 5 30 KKBC COc1ccccc1[C@H](C)N([C@H](C)c1ccccc1OC)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 207178684 SCPIPBUVJMWXLH-WMPKNSHKSA-N 599.667 11.074 5 30 KKBC CCCCc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)s2)c(C)c1 8648383 AJTPTPIBRSLCSB-UHFFFAOYSA-N 568.725 6.071 5 30 KKBC CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@@H](O)C1 263584214 MUCOHWBULSBLLZ-ZBYOGJSYSA-N 731.027 8.536 5 30 KKBC O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@]3(c4ccccc4C(c4ccccc4)(c4ccccc4)N3c3ccccc3)N2c2ccccc2)cc1 8402748 MHMJSZPKPDAMKI-GWHBCOKCSA-N 675.792 9.906 5 30 KKBC O=C(c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1 8628189 DCZVRPXQRICYMO-UHFFFAOYSA-N 544.917 6.280 5 30 KKBC CC[N@+]1(CC2=CCCCCCC2)CC[C@@H](NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 252675979 VQHKDCUXFKNNMT-WPNWOIIGSA-O 528.544 7.627 5 30 KKBC in-vitro O=[N+]([O-])c1ccc(CSc2nnc(-c3cc(OCC(F)(F)F)ccc3OCC(F)(F)F)o2)cc1 1047780 CPMVUEBSMNFUOP-UHFFFAOYSA-N 509.384 5.819 5 30 KKBC Cc1cc(C(C)(C)C)ccc1Sc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1[N+](=O)[O-] 3179759 IBHZSIONDFYJRR-UHFFFAOYSA-N 572.658 8.067 5 30 KKBC O=C(Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 2161203 FXQBASKVCXKJTN-UHFFFAOYSA-N 585.377 7.399 5 30 KKBC Oc1ccc(-c2c3nc(c(-c4ccc(Br)cc4)c4ccc([nH]4)c(-c4ccc(Br)cc4)c4ccc([nH]4)c(-c4ccc(Br)cc4)c4nc2C=C4)C=C3)cc1 2265385770 RPNCRYBNKCWSFZ-UHFFFAOYSA-N 867.439 13.317 5 30 KKBC Cc1ccc(C[N+](C)(Cc2ccc(C)cc2)C[C@H]2OC3(O[C@@H]2C[N+](C)(Cc2ccc(C)cc2)Cc2ccc(C)cc2)[C@H](Cc2ccccc2)CCC[C@@H]3Cc2ccccc2)cc1 150340427 MLVDYLQAKGAVTP-LMDUDDLISA-N 827.210 12.296 5 30 KKBC CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCCCCC(=O)c5ccc6ccc7cccc8ccc5c6c78)CC[C@]4(C)[C@H]3CC[C@@]21C 604935100 JYIBHPZQBJUZTG-QDRHAVCMSA-N 755.140 14.841 5 30 KKBC c1ccc(Sc2cccc3c2-c2nc4nc(nc5[nH]c([nH]c6nc(nc-3n2)-c2c(Sc3ccccc3)cccc2-6)c2c(Sc3ccccc3)cccc52)-c2c(Sc3ccccc3)cccc2-4)cc1 150893721 SZGLSFRWHKISCC-UHFFFAOYSA-N 947.212 15.377 5 30 KKBC COC(=O)C1=CC=C2c3cc4nc(cc5[nH]c(cc6nc(cc([nH]3)[C@]2(C)[C@@H]1C(=O)OC)C(C)=C6CCC(=O)O)c(CCC(=O)O)c5C)C([C@H](C)OC)=C4C 604972810 YRTXVHPOHZTOGI-SVYKXYTKSA-N 736.822 6.367 5 30 KKBC CCCCCC[C@@H](CCCCCCCCCCC(=O)O)OC(=O)c1c2ccccc2cc2ccccc12 4533772 ASGJDCRNPJSBHA-NDEPHWFRSA-N 504.711 9.474 5 30 KKBC CCOC(=O)c1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)n(-c2ccccc2)c1C 1047134 DQXYBIIAJNRMLX-UHFFFAOYSA-N 505.552 5.338 5 30 KKBC CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)CCC1 70450846 DMASLKHVQRHNES-GMKWGACXSA-N 552.887 11.577 5 30 KKBC endogenous,in-man O=[N+]([O-])c1ccc(-n2nc(-c3ccc(Cl)cc3Cl)c(S(=O)(=O)c3ccccc3)c2-c2ccccc2)cc1 95725776 QDXHRWZRRZYZHE-UHFFFAOYSA-N 550.423 7.254 5 30 KKBC C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5[C@@H](C)OC)c(C)c4CCC(=O)O)C(CCC(=O)O)=C3C 299754766 PFFLXSOQSXIGML-OAQYLSRUSA-N 594.712 7.353 5 30 KKBC CCCCN(CCCC)[C@@H](O)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 33637051 WYFARUIMFVPKFV-DQEYMECFSA-N 516.431 7.963 5 30 KKBC c1cc2ccc3ccc(-c4ccc(N(c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)c5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5)cc4)c4ccc(c1)c2c34 150347689 SKODVKMYBGXHOZ-UHFFFAOYSA-N 846.045 18.850 5 30 KKBC Cc1ccc(S(=O)(=O)c2ncsc2Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 12340120 NKXQGDDYDJNKMU-UHFFFAOYSA-N 505.477 5.271 5 30 KKBC COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCC[N@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC 254132313 LZVKNJYOWMYBAU-LTHBZNOOSA-N 855.170 10.149 5 30 KKBC Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1 2265385677 CEQUHDMNANWBTC-UHFFFAOYSA-N 629.767 10.906 5 30 KKBC CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 2265366066 NZCRJKRKKOLAOJ-OUBDPNHWSA-N 785.891 6.158 5 30 KKBC COc1cc(C(=O)Nc2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 1037217 WJNLYONJPHIVCW-UHFFFAOYSA-N 508.474 6.043 5 30 KKBC O=c1c2ccccc2nc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1-c1ccc(F)cc1 2151795 NDJOBTNVIBFTCC-UHFFFAOYSA-N 506.393 5.511 5 30 KKBC Cc1ccc(/C=C2/S[C@]3(SC(c4ccc(Cl)cc4Cl)=NN3c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)C2=O)cc1 8636733 FYIVJMQUJWDDBL-CCLVUABDSA-N 619.555 8.557 5 30 KKBC CCCCCC[C@H](CCCCCCCCCCC(=O)O)OC(=O)c1c2ccccc2cc2ccccc12 4533773 ASGJDCRNPJSBHA-MUUNZHRXSA-N 504.711 9.474 5 30 KKBC CCOc1cc2c3ccccc3c(=O)c3ccc4c5ccc6c(=O)c7ccccc7c7cc(OCC)c(c1c4c32)c5c67 100344800 SCEODNGKLXPLHE-UHFFFAOYSA-N 544.606 8.743 5 30 KKBC CC(C)CCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC(C)C 114171720 AQIVRMHITXQXIL-UHFFFAOYSA-N 551.065 13.298 5 30 KKBC C[C@@H](CC[C@@H]1[C@H](C)CCCC1(C)C)[N+](C)(C)CCCCCC[N+](C)(C)[C@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C 3875528 YECRYLBCIYSJSO-GEPQNFMVSA-N 535.002 9.962 5 30 KKBC in-man CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC(=O)OCC(=O)c3ccc4ccc5cccc6ccc3c4c56)[C@H]21 97975914 WAGCOTZTJMQDOW-OUNIFAQKSA-N 678.866 8.345 5 30 KKBC C[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 77311709 FPWKKDQDBGGPFW-MPIKVFBOSA-N 583.637 6.253 5 30 KKBC in-vitro O=[N+]([O-])c1cc(Br)cnc1Sc1nnc(SCc2c(Cl)cccc2Cl)s1 95703716 LNKCEUNSBRZPEH-UHFFFAOYSA-N 510.247 6.354 5 30 KKBC Cc1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 95747879 TXGYRXZOYZNSTR-UHFFFAOYSA-N 736.731 12.488 5 30 KKBC O=C(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 1025171 KQXUGLDSTZRLCU-UHFFFAOYSA-N 503.511 5.856 5 30 KKBC Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)CC1 100466953 KLJBXQXSYZASBZ-UHFFFAOYSA-N 618.593 5.709 5 30 KKBC O=c1ccc2cc3c(Br)cc4c5ccc6cc7ccccc7c7c(=O)c(Cl)c(c5c67)n5nc(c2c1)c3c45 223704024 FNXSFWDIXVETLY-UHFFFAOYSA-N 559.806 7.856 5 30 KKBC COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc(O)c6c(=O)cc(C)oc6c5c4OC)c2c1)O[C@](C)(O)CC3=O 85763456 XWHLKURAEUPHAB-YTTGMZPUSA-N 588.565 5.194 5 30 KKBC in-vitro O=c1c2ccccc2nc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1-c1ccc(Cl)c(Cl)c1 95742720 LFMPUEPHXWJABE-UHFFFAOYSA-N 557.293 6.679 5 30 KKBC O=C(O)c1ccc(C(=O)O)c(-c2c3cc(Br)c(=O)c(Br)c-3oc3c(Br)c(O)c(Br)cc23)c1 197960413 AVJVXHCGUOZOHI-UHFFFAOYSA-N 691.904 6.717 5 30 KKBC COC(=O)C1=CC=C2c3cc4nc(cc5[nH]c(cc6nc(cc([nH]3)[C@]2(C)[C@H]1C(=O)OC)C([C@@H](C)OC)=C6C)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C 604972804 MBELQTOATRFEBX-BCWHBENHSA-N 736.822 6.367 5 30 KKBC CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1 73240896 UYRDHEJRPVSJFM-VSWVFQEASA-N 630.822 7.208 5 30 KKBC biogenic,in-vivo COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl 95747867 JMBJYNAFSFCIHM-UHFFFAOYSA-N 527.542 5.297 5 30 KKBC CC(C)c1nc(CN(C)C(=O)N[C@H](CC[N+]2([O-])CCOCC2)C(=O)N[C@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 757068379 QWOYZJRAXNISAT-RWTOGVPBSA-N 792.041 6.013 5 30 KKBC O=C(CSc1nnc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)o1)c1cccc([N+](=O)[O-])c1 1047772 GYPUHWGDDALVOZ-UHFFFAOYSA-N 537.394 5.502 5 30 KKBC C[C@H]1CCCC(C)(C)[C@@H]1CC[C@@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C 3875529 YECRYLBCIYSJSO-QXKCZXNESA-N 535.002 9.962 5 30 KKBC in-man O=c1nc2n(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc(Cl)cc3Cl)n2nc1Cc1ccc(Cl)cc1 8636845 JQCGTLSVFCQRSZ-UHFFFAOYSA-N 527.755 5.401 5 30 KKBC C[C@@H](CC[C@@H]1[C@H](C)CCCC1(C)C)[N+](C)(C)CCCCCC[N+](C)(C)[C@H](C)CC[C@H]1[C@H](C)CCCC1(C)C 3875530 YECRYLBCIYSJSO-MRIQVRTJSA-N 535.002 9.962 5 30 KKBC in-man C1=Cc2nc1c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1 138055511 MWOBSIASKLRDBM-UHFFFAOYSA-N 618.704 8.904 5 30 KKBC in-vitro O=c1c2cccc(c2O)c2ccc(cc2)oc2ccc(cc2)c2ccc(cc2)oc2ccc(cc2)c2cccc1c2O 200271291 OMYARDXFIUGFSY-UHFFFAOYSA-N 548.594 9.374 5 30 KKBC CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 2265366067 NZCRJKRKKOLAOJ-PGMLFGINSA-N 785.891 6.158 5 30 KKBC COCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCOC 4383143 YRALPODMPYELLT-JGCGQSQUSA-O 682.897 7.376 5 30 KKBC COc1cc(-c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100050308 JIHCTUPQGPSRBD-UHFFFAOYSA-N 576.478 6.491 5 30 KKBC O=C1OC(c2ccccc2)=N/C1=C/c1ccc(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1 8648748 BZNDPRHEZMVEDC-XYOKQWHBSA-N 558.588 7.999 5 30 KKBC C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@H](CC(=O)O)C(=O)O)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)[C@H](CCC(=O)O)[C@@H]3C 257157517 SIEXFRDYNDREBM-OTKPCVMRSA-N 711.772 5.491 5 30 KKBC O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(N2CCN(c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)CC2)c1 95747949 HVCIDZVGMAWWAX-UHFFFAOYSA-N 648.516 8.452 5 30 KKBC O=c1c2ccc3cc(Br)c(I)c4c(=O)c5ccc6cccc1c6c5-c2c34 201271671 YLMARNQPFPYOGM-UHFFFAOYSA-N 511.112 5.805 5 30 KKBC CC(C)c1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 3119887 SSJOMQPMYXNJPT-UHFFFAOYSA-N 540.611 8.433 5 30 KKBC CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc2nc3ccc(Nc4ccc(Nc5nc(Cl)nc(OC)n5)cc4S(=O)(=O)O)cc3[n+](-c3ccc(OC)c(S(=O)(=O)O)c3)c2c1 195812001 UOEOXEFTLMDOED-UHFFFAOYSA-O 910.389 5.774 5 30 KKBC Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NCCSCc1ccc([N+](=O)[O-])cc1 12340439 GAFFJKGQBWCFHH-UHFFFAOYSA-N 511.046 5.114 5 30 KKBC COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 100056693 QFUUHWAGHVMBHL-WIHCDAFUSA-N 580.637 6.224 5 30 KKBC