smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C/C(NCCN1CCNCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 19944161 MOGCOLZQXKEOMD-FXBPSFAMSA-N 446.580 2.816 10 40 IFCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)NCCCN2CCOCC2)C1=O 27530472 BBUROKYFXIEWDB-GVMPNVMCSA-N 445.610 2.673 10 40 IFCB CN1C(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)N(c2ccccc2)C1=S 101362380 BEBXMIKVQASASY-PGMHBOJBSA-N 434.565 2.915 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)cc1 225834864 OUHXZIWDKFYHRA-NRFANRHFSA-N 431.558 2.685 10 40 IFCB COc1cc(N2C(=O)NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c(OC)cc1Cl 408786035 FJDZAFGFLAROHY-KPKJPENVSA-N 431.788 2.932 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1O 408850979 SSNWITQJOWPPNN-WUXMJOGZSA-N 435.205 2.969 10 40 IFCB COC(=O)COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC 409125359 NDLQGVPHRXLFKJ-BOPFTXTBSA-N 426.450 2.647 10 40 IFCB COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O 8737864 OKPYZJJIHXEAHC-UHFFFAOYSA-N 427.453 2.830 10 40 IFCB biogenic COc1ccc(N2CCN(C(=O)CN3C(=O)C(c4ccc(F)cc4)=NC3(C)C)CC2)cc1 71769056 TXJYPJYLSTUPGX-UHFFFAOYSA-N 438.503 2.551 10 40 IFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1 408812950 PYFJBCDVGKPVDL-SFQUDFHCSA-N 438.436 2.937 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)c(OC)c3)SC2=S)cc1 9188487 LVDTYPZPURFXLO-YVLHZVERSA-N 430.507 2.974 10 40 IFCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998970 UGSLGCVWRGZXHX-OAQYLSRUSA-N 444.963 2.843 10 40 IFCB Cc1[nH]cnc1CSCCNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 40288457 DRJMOPZQYYMEQB-UHFFFAOYSA-N 440.451 2.612 10 40 IFCB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccccc21 218790845 GNIXLACFNLZVHO-QFIPXVFZSA-N 443.569 2.910 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(N4CCC(C)=N4)cc3)CC2)cc1 71821955 NWWNVYVAWKNVEE-UHFFFAOYSA-N 436.512 2.787 10 40 IFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O 96699264 FQXJCSPLPHEHCQ-MHWRWJLKSA-N 428.416 2.556 10 40 IFCB COc1cccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3OC)C(=O)NC2=S)c1 13765590 RSCIBTAXPDYOAF-NVNXTCNLSA-N 428.466 2.552 10 40 IFCB O=C(NN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S)c1cccs1 409356670 GZWLKEUDKWLMEA-ACAGNQJTSA-N 435.464 2.931 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)O 2891926 ALKQRNANASUZHA-LUYJPIOASA-N 438.436 2.912 10 40 IFCB CCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 9427717 KCMIBVRRVUWOAZ-ATTDUZETSA-N 427.569 2.872 10 40 IFCB CN(C)c1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 13503866 UNSHMYGRQUWUSG-JOCHJYFZSA-N 449.559 2.995 10 40 IFCB COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)C2=O)cc1 8496725 QDVMJIFCKMYDRS-UYRXBGFRSA-N 446.415 2.981 10 40 IFCB CCCCn1c(N)c(N(C)C(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)c(=O)[nH]c1=O 13018496 KWSXIFCVJTUHQW-MDZDMXLPSA-N 439.516 2.655 10 40 IFCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)N[C@@H](CO)Cc1ccccc1 9253152 DSFFLPCDCUMNDU-CJMVGXJBSA-N 430.526 2.747 10 40 IFCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC#N 108221864 KZZTTXQAFAUJDZ-ZROIWOOFSA-N 428.242 2.821 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)cc1 408816480 JRYRSLKTLXCKDJ-OQLLNIDSSA-N 444.827 2.869 10 40 IFCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 409134316 OSILNXJLYQTKGK-CPNJWEJPSA-N 445.541 2.581 10 40 IFCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc2c(c1)OCCO2 409206187 MZADBVFEHRJZFT-CAOOACKPSA-N 428.422 2.544 10 40 IFCB COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1 10004272 DQBXGKYZYUKCHU-UHFFFAOYSA-N 431.445 2.592 10 40 IFCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccco1 408731798 PUXCUZSXABHMAK-MTGKDYNDSA-N 437.521 2.566 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1Br 408879063 CJEKOHZZXMJAII-UHFFFAOYSA-N 431.242 2.786 10 40 IFCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCC(OC)OC)cc1 19631567 OTIBMNOUZYGCMI-ZHZULCJRSA-N 440.456 2.837 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)/C=C/c3ccc(OC)c(OC)c3)CC2)cc1 39581829 VHRKKLWZTWPQGP-VZUCSPMQSA-N 440.496 2.618 10 40 IFCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 2297550 VGDIMZHWPNHCFN-NBVRZTHBSA-N 430.507 2.757 10 40 IFCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 409253595 ZZIMIURREIBLMB-RCCKNPSSSA-N 448.523 2.925 10 40 IFCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccccc1 8916899 OQOHVBNYLVMKSP-CPNJWEJPSA-N 425.510 2.989 10 40 IFCB COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC(C)C 96193358 VTNLDLQTTMQVGW-WQRHYEAKSA-N 429.498 2.936 10 40 IFCB CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 225200115 NVXMYJATDCWLSI-UHFFFAOYSA-N 445.585 2.625 10 40 IFCB NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 409330630 LDPROTOFKSRMNS-DHDCSXOGSA-N 447.925 2.750 10 40 IFCB COC(=O)[C@H](C)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1810175 JPUYGFXNOGLBDL-SRMXZIQESA-N 427.301 2.534 10 40 IFCB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)OCC3(C)C 9353121 FJYXDJZEYZOERH-JOCHJYFZSA-N 447.491 2.972 10 40 IFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 35088508 OIQXURYSYIXBLU-MHWRWJLKSA-N 446.506 2.964 10 40 IFCB COc1ccc(N2CCN(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 3356828 QXZWIAMTSDINLF-UHFFFAOYSA-N 437.521 2.706 10 40 IFCB CCc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)S(C)(=O)=O)cc1 220271231 QSWMIOJRQNLARV-GOSISDBHSA-N 445.585 2.761 10 40 IFCB CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O 220504184 PYJPQHXKOBAAKB-JOCHJYFZSA-N 445.585 2.897 10 40 IFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 9891798 QTYWZYNKKDRRLE-GHXNOFRVSA-N 432.186 2.729 10 40 IFCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(I)c(O)c([N+](=O)[O-])c1 58866057 VOVZHAMZWFCZJW-UHFFFAOYSA-N 445.165 2.659 10 40 IFCB Cc1ccc(N(C[C@@H](O)[C@H](O)[C@@H](O)CO)/N=N/c2ccc(Br)cc2)cc1C 13477303 SFBGWEUXXNRFNC-ICMABPITSA-N 438.322 2.646 10 40 IFCB COCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 21486965 CTKFKHIQMDZRHN-SSZFMOIBSA-N 444.582 2.841 10 40 IFCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)C(=O)OC 34745969 XWTTZLZQSBKGDU-JPVKTXQWSA-N 436.464 2.825 10 40 IFCB COc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1OC 35597243 BCPQERSTFTXYAF-OAQYLSRUSA-N 440.544 2.891 10 40 IFCB CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 220284853 WOVLDVRJJINZEE-SFHVURJKSA-N 445.585 2.557 10 40 IFCB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)ccc1OC 223850640 AMIXUGUJDWNBAN-UHFFFAOYSA-N 431.558 2.914 10 40 IFCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 409044507 GSZRWJROPHRVJA-BARSGRSVSA-N 447.560 2.864 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(Br)cc1OC 409234989 AGPUYXWTSGBCRH-NTUHNPAUSA-N 446.257 2.918 10 40 IFCB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccn1 9338729 LWTXHJJTTFFCRH-DEOSSOPVSA-N 446.463 2.868 10 40 IFCB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 9444961 OVCFSONYQABCHX-FQEVSTJZSA-N 437.456 2.698 10 40 IFCB O=c1c(Cl)c(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)cnn1-c1ccccc1 13117297 RSQYHKCBPKYBHQ-UHFFFAOYSA-N 440.887 2.642 10 40 IFCB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1CCS(=O)(=O)O 8821506 HPKPVTLQTPMKAG-NTEUORMPSA-N 440.480 2.944 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc1cccc(C)c1 9635684 VRSKWSXMGLBLKE-UHFFFAOYSA-N 430.844 2.864 10 40 IFCB C[C@H](Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)O 33657003 ONQBTMYFMIUGIY-BNDQCTAISA-N 431.788 2.562 10 40 IFCB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1)c1ccccc1 72344767 LHDBZAOYDSNORU-GOSISDBHSA-N 437.544 2.795 10 40 IFCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)c1 409393823 SNJBTLFCRMDHSY-DEDYPNTBSA-N 444.447 2.942 10 40 IFCB COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(C)c2)C(=O)NC1=S 409167072 ISEKKBKNYZXBHO-SAPNQHFASA-N 437.521 2.672 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CCN1C(=O)S/C(=C\c2cccs2)C1=O 33584137 SXROXBPEELVKIN-YVLHZVERSA-N 446.506 2.927 10 40 IFCB Cc1cc(C(=O)COC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c(C)n1-c1ccc(F)cc1 9208920 ZOYCRXXHXUKGJS-UHFFFAOYSA-N 449.438 2.663 10 40 IFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)CC1 13547478 FAIBKGLMMPWYSL-ATVHPVEESA-N 434.514 2.958 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O 16195987 KSQHHPRHPDCIMM-JYRVWZFOSA-N 433.283 2.995 10 40 IFCB COc1ccc(N2CCN(C(=O)CCCN(c3ccc(C)cc3)S(C)(=O)=O)CC2)cc1 408695741 UNOMYUSUWXZDER-UHFFFAOYSA-N 445.585 2.899 10 40 IFCB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccccc1Cl 409272745 SAKQGUDVVDZXOG-UHFFFAOYSA-N 434.235 2.760 10 40 IFCB CCOC(=O)/C=C(/NC(=O)NC1CCCCC1)N1CCN(c2ccc(OC)cc2)CC1 100218130 AMLBZKLECZTCKX-FXBPSFAMSA-N 430.549 2.854 10 40 IFCB COc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=S)N(C)C2=O)c2ccccc21 409162184 SQIVIQLWOMAWLL-LGMDPLHJSA-N 435.505 2.985 10 40 IFCB CCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 1244387 YSSAYHGMSOUBID-WZMONFQBSA-N 430.555 2.897 10 40 IFCB COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC 35597245 GJQKTIVWLLLHOT-OAQYLSRUSA-N 440.544 2.891 10 40 IFCB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 9088563 GFSXAHBKNNLHDY-MHWRWJLKSA-N 443.257 2.986 10 40 IFCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007868 PGLCBJVSJDUCCC-HSZRJFAPSA-N 436.556 2.969 10 40 IFCB Cc1c/c(=N\C(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c2ccccc2[nH]1 13008698 RSUDSOLCLVRZFA-DEOSSOPVSA-N 445.567 2.705 10 40 IFCB Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 13670401 ZPAMBRNYSBKQFX-LJQANCHMSA-N 445.585 2.611 10 40 IFCB Nc1ccccc1/N=N\c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O 13703916 XLDBFKFFJKGSTN-HNENSFHCSA-N 439.427 2.742 10 40 IFCB in-vitro C[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 103002193 NOXFJLUTTKVRKS-MFCZKXCZSA-N 435.263 2.992 10 40 IFCB COc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)cc(Br)c1OC(C)=O 666813 ZSFBNUSBGFKZDG-AUWJEWJLSA-N 449.232 2.984 10 40 IFCB CCN1C(=O)/C(=C\c2c(C)c3cc4c5c(c3oc2=O)CCCN5CCC4)C(=O)N=C1S 8974070 FDTAWLVUSFQGGJ-BOPFTXTBSA-N 437.521 2.858 10 40 IFCB biogenic CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCCCC3)ccc21 13007913 ACNPRMRWZDYFHV-HSZRJFAPSA-N 438.547 2.778 10 40 IFCB CC(C)Oc1c(Br)cc(Br)cc1C=C1C(=O)NC(=S)NC1=O 96193591 AVDGQWRRFQLWOF-UHFFFAOYSA-N 448.136 2.913 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)N4CCCC4)c3)CC2)cc1 408607836 QOCXRDGJDQDJEN-UHFFFAOYSA-N 443.569 2.751 10 40 IFCB CCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 17722674 JEZMYYRPVZLFMZ-BHPHJWIOSA-N 444.582 2.838 10 40 IFCB COCCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)NC1=S 6288639 TYQKTPUVQFUZNC-HMMYKYKNSA-N 449.532 2.993 10 40 IFCB CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1C 33907826 RWBUYKVRGXTDHT-YLRGQORSSA-N 448.573 2.811 10 40 IFCB CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 40476933 BCEPQSRXHIDFLG-SNVBAGLBSA-N 435.571 2.903 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)O 9322178 CTMSPXIBLXUAJL-AUWJEWJLSA-N 444.827 2.787 10 40 IFCB NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Cl)cc4)C3=O)o2)cc1 16429454 NUCQPYUWOKZOKD-BOPFTXTBSA-N 443.868 2.709 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 409237904 XVGZHQKODVWPFV-CPNJWEJPSA-N 437.521 2.672 10 40 IFCB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)CC1 409343802 FMMCHSHJBKPDPX-XMHGGMMESA-N 429.542 2.818 10 40 IFCB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)NCCc2ccc(O)c(O)c2)C1=O 9253511 DENPIJYCRJSRLY-UYRXBGFRSA-N 442.493 2.892 10 40 IFCB COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2cccc(C)c2C)CC1 35292247 KARDVCWHCKECBW-XMMPIXPASA-N 449.603 2.914 10 40 IFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 408797160 BMAXPGIWHBNKKK-RIYZIHGNSA-N 444.827 2.810 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)c(C)c2)C1=O 409243162 ZHXAYHAORBHNQI-OBGWFSINSA-N 435.480 2.897 10 40 IFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C(=O)NC1=S 409392496 PSPXIZFTGLPQST-OQLLNIDSSA-N 428.470 2.658 10 40 IFCB COc1ccc(NC(=O)CC(=O)N2N=C(C)[C@@H](/N=N\c3ccc(C(=O)O)cc3)C2=O)cc1 104315473 NAWFPOYOMLERBD-QNBCRBJRSA-N 437.412 2.619 10 40 IFCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1 409228627 BTRDFLOWSVTJCB-UDWIEESQSA-N 444.447 2.942 10 40 IFCB CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCCO[S@](C)(=O)=S)cc2)cc1 1570007178 YSVAKACZJCHSHA-GRWUHEODSA-N 442.588 2.754 10 40 IFCB Cc1n[nH]c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408527193 FJPNVKIPMAKHMB-KPKJPENVSA-N 432.278 2.985 10 40 IFCB NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 409217605 DQMPYCZLCDFDFY-QPEQYQDCSA-N 434.235 2.524 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1O[C@@H](C)C(=O)O 409244068 WZNCJRXGUXTVQF-XDUBLRSXSA-N 440.477 2.687 10 40 IFCB COc1ccc(CCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)N=C2S)cc1OC 9539501 KVSXHDZJZUVSDJ-DHDCSXOGSA-N 440.477 2.713 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 408986570 NCABPPJUTNHCPQ-DHDCSXOGSA-N 425.397 2.841 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O[C@@H](C)C(=O)O 409226927 NYXFCFLTQSNTDN-MPMPPSQCSA-N 438.436 2.830 10 40 IFCB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)s1 260841151 JPQAFFSTIDIZOP-AWEZNQCLSA-N 437.591 2.847 10 40 IFCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(Br)cc2)c1 408873231 OZQUKSLIGVPRLO-UHFFFAOYSA-N 447.310 2.951 10 40 IFCB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 2301905 KVENQAMMCORUAE-OWBHPGMISA-N 439.584 2.640 10 40 IFCB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9616452 HPXXWIRKPKWNJD-UHFFFAOYSA-N 432.527 2.977 10 40 IFCB Cc1ccc(N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)/N=N/c2ccc(Br)cc2)cc1C 13477299 SFBGWEUXXNRFNC-RGFDYMEPSA-N 438.322 2.646 10 40 IFCB COc1ccc(N(CCC(N)=O)CC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1 32851077 YPJRUFSIWWNFOU-UHFFFAOYSA-N 436.512 2.675 10 40 IFCB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCO2 12554895 JCSWXGBQHIZNBO-MRXNPFEDSA-N 441.513 2.963 10 40 IFCB CC(C)COc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br 409044980 WWXGSYLWMMEYPJ-UHFFFAOYSA-N 446.095 2.996 10 40 IFCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1OC 409210141 DZTKOIQDVXBFFM-NTEUORMPSA-N 441.396 2.764 10 40 IFCB CN1CCN(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 8819702 RWICCTKPAOTRTF-VLGSPTGOSA-N 432.615 2.727 10 40 IFCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NCCCn2ccnc2)C1=O 9187673 WFNINZKWWGKZRR-LGMDPLHJSA-N 430.555 2.690 10 40 IFCB COc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 13008377 KGQJGXULHWEAKM-XMMPIXPASA-N 439.556 2.646 10 40 IFCB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 13990357 VWTRMDBEQSBFHY-HMAPJEAMSA-N 437.452 2.753 10 40 IFCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409392737 NIDPHDXJYSBNKM-LFIBNONCSA-N 434.364 2.925 10 40 IFCB CCOc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1O 1256505 JLNRFAUBBLVMLV-PIIADTLSSA-N 441.513 2.813 10 40 IFCB Cn1c(Oc2ccccc2NCc2cc(Br)ccc2O)cc(=O)n(C)c1=O 2300318 LHXMGZFZRIRMQH-UHFFFAOYSA-N 432.274 2.957 10 40 IFCB C[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCOCC1 8769973 FPLSRVHMFMEEOW-LBPRGKRZSA-N 427.840 2.520 10 40 IFCB CCN(CC)c1ccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c(O)c1 103008521 RURLWTDKIHDVIJ-VKDGWMQASA-N 437.496 2.532 10 40 IFCB COc1cccc(-n2c(C)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2C)c1 40069534 AUALVQCQSSAFEK-UHFFFAOYSA-N 427.526 2.723 10 40 IFCB COc1cccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1OCc1cccc(C(=O)O)c1 408963451 ZNLXIQARHYRHDP-UHFFFAOYSA-N 440.477 2.571 10 40 IFCB COCCN1CC=CC[C@H](C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C1=O 72371081 KBVUKHFJKPUMFY-JOCHJYFZSA-N 445.579 2.925 10 40 IFCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3nc4c(S)nc(N)nc4[nH]3)cc2)s1 16983252 IUDDFJPMXCWYOC-QURGRASLSA-N 448.519 2.600 10 40 IFCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(N2CCN(C)[C@H]([N+](=O)[O-])C2)cc1 19323404 WBENBUAPLJTUQS-GUBQRQEFSA-N 449.467 2.546 10 40 IFCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O 409174787 VCJLGGBMWLOSHX-UKTHLTGXSA-N 428.466 2.552 10 40 IFCB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 9353129 JJLMKUGLOYXMNT-RMFUMNGISA-N 446.525 2.925 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC)cc3OC)C2=O)cc1 12276909 ZOFBXDYVKLJDNS-YBEGLDIGSA-N 426.425 2.778 10 40 IFCB CN1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 22589076 XIEJOOLFHKGMHD-QFIPXVFZSA-N 430.980 2.890 10 40 IFCB COc1ccc(NC(=O)CC(=O)N2N=C(C)[C@H](/N=N/c3ccc(C(=O)O)cc3)C2=O)cc1 102946049 NAWFPOYOMLERBD-SMIQVMJNSA-N 437.412 2.619 10 40 IFCB CN1C(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C(=O)N(c2ccccc2)C1=S 20023748 BEBXMIKVQASASY-LTGZKZEYSA-N 434.565 2.915 10 40 IFCB COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1OC 31829101 CXWYWFNVHDXVSL-QGOAFFKASA-N 438.440 2.688 10 40 IFCB COc1ccc(N2CCN(c3ncc4c(=O)n(Cc5cccnc5)ccc4n3)CC2)cc1 39383831 LWAXDECUICGOAT-UHFFFAOYSA-N 428.496 2.570 10 40 IFCB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(CCOC)C3=O)c2c1 98086713 RGTUGIBIFFENJG-QGOAFFKASA-N 428.510 2.910 10 40 IFCB Cc1cc(C)cc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1 13660091 XRRODVCIARZPEN-YERBQUFUSA-N 427.511 2.715 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CCOCC2)cc1 22998888 HCYLGCRQMFSCLV-HXUWFJFHSA-N 430.936 2.534 10 40 IFCB N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 100510236 DOIKRDDFKSNLDT-LYVGZQGXSA-N 436.291 2.674 10 40 IFCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCC4)cc3OC)C2=O)o1 107640372 MFHUBFSSVOSSFQ-BOPFTXTBSA-N 425.441 2.768 10 40 IFCB O=C(O[C]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 1560407548 PEERCMRUHKODCT-OAQYLSRUSA-N 441.368 2.691 10 40 IFCB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCS(=O)(=O)O 8821477 JIQWXKAWBULGBJ-NTEUORMPSA-N 440.480 2.944 10 40 IFCB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCc1ccc(O)c(O)c1 9302982 GDZLLMDIGDYHFG-YVLHZVERSA-N 432.498 2.797 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1O[C@@H](C)C(=O)O 409238595 LGFAEZLTGYQKIW-JMRXEAOASA-N 440.477 2.687 10 40 IFCB Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1C 9193030 DGTJOMYUOOLRIE-NRFANRHFSA-N 430.570 2.964 10 40 IFCB COc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1OC 35597244 BCPQERSTFTXYAF-NRFANRHFSA-N 440.544 2.891 10 40 IFCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100326930 XTFAYFGKFZCSCB-XHGRJQERSA-N 427.463 2.518 10 40 IFCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)CC1 219266864 FVQSHRSLAHGLTC-AZUAARDMSA-N 436.622 2.619 10 40 IFCB CNC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)sc2c1CCCC2 11615639 YUDSJIBEGQZZOY-UHFFFAOYSA-N 437.543 2.754 10 40 IFCB C[C@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 218564205 WQDINCUDQSHFAW-MSOLQXFVSA-N 436.622 2.619 10 40 IFCB COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCC3=CCCCC3)C2=O)cc1OC 101035256 LWOMOJXTYIMZHB-OBGWFSINSA-N 427.501 2.689 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 408722907 ODIMPYLWDNBPJX-LFYBBSHMSA-N 433.829 2.794 10 40 IFCB COC(=O)c1c(NC(=O)CN(CCC(N)=O)c2ccc(OC)cc2)sc2c1CCCC2 22012747 VNEPAGKFHKQMKC-UHFFFAOYSA-N 445.541 2.743 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc1 15239869 QZJUVEHPYGIDGY-MHWRWJLKSA-N 426.425 2.778 10 40 IFCB COC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33863972 CPHHQMREHWHXGK-COOUDCDJSA-N 445.269 2.851 10 40 IFCB CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 108179802 LYLYVMRTEDVLKY-GDNBJRDFSA-N 445.269 2.852 10 40 IFCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)c1 409096801 KOVQOKRQEYPQDW-XSFVSMFZSA-N 434.496 2.671 10 40 IFCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC 409106504 NTWYRNKQRYLVJZ-XNTDXEJSSA-N 442.493 2.942 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O[C@H](C)C(=O)O 409226940 NYXFCFLTQSNTDN-SWEABUAFSA-N 438.436 2.830 10 40 IFCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC 409238281 DCBTZLZTBYYOSE-WUXMJOGZSA-N 432.230 2.528 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc(OC)c1OC 2260320 JXMPDLQLMJFEDW-MHWRWJLKSA-N 446.506 2.964 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H](C(C)=O)N21 13681004 WBQOBACKPZFYNV-LUKWVAJMSA-N 430.460 2.877 10 40 IFCB COc1ccc(N2CCN(C(=O)CCn3cnc4c([nH]c5ccccc54)c3=O)CC2)cc1 23125677 YESTYSSGRSSINT-UHFFFAOYSA-N 431.496 2.625 10 40 IFCB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8800932 HCBOPNYDJINGQX-OAQYLSRUSA-N 445.585 2.812 10 40 IFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 17102051 BUBPXEMZAVMYOK-STZFKDTASA-N 438.440 2.672 10 40 IFCB C[N+]1(Cc2ccccc2)CCC(N/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)CC1 6202649 BPXJVDHCUFDPEY-UHFFFAOYSA-O 425.553 2.680 10 40 IFCB Cc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O 32964501 AONJTKVWFCUEDK-MKGVMWAWSA-N 427.511 2.715 10 40 IFCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 9259387 ZCPPAOFXZMUSSB-UHFFFAOYSA-N 428.470 2.610 10 40 IFCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)SC1=S 409341259 APVLGOCFHVMRKK-MLPAPPSSSA-N 433.419 2.629 10 40 IFCB CN(C)c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc1[N+](=O)[O-] 16186560 BYTVHESTANDFIK-NSIKDUERSA-N 446.286 2.589 10 40 IFCB O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 32594795 AGOIAADMKGLTQQ-DHDCSXOGSA-N 443.531 2.701 10 40 IFCB COc1cc(C(=O)NN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)ccc1O 33402988 ZCIPECAMJJPULK-RQZCQDPDSA-N 446.506 2.964 10 40 IFCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408884125 WUTIAWUMQGZQOF-OQLLNIDSSA-N 448.216 2.966 10 40 IFCB CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C(=O)N(C)C1=O 409377362 HRBGVWRRIYIUHM-UHFFFAOYSA-N 445.834 2.930 10 40 IFCB COc1ccc(N2CCN(C(=O)COc3c(C)n(CCC(C)C)ccc3=O)CC2)cc1 524732283 FRQJEOQZRBJEQY-UHFFFAOYSA-N 427.545 2.939 10 40 IFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1 409209039 FHNMYRYPFIKMDZ-XNTDXEJSSA-N 429.226 2.902 10 40 IFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S 9420189 DBMCGFNCPFLZHU-ZXZGFYSFSA-N 432.479 2.567 10 40 IFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccccc1 96193606 UCNCRJWRISFWGZ-UHFFFAOYSA-N 447.310 2.951 10 40 IFCB CC(C)N1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2359329 PARBJESQXCWUAA-KAMYIIQDSA-N 432.596 2.857 10 40 IFCB COc1cc(/C=C2\C(=N)N3C(=NC2=O)Sc2cc(S(C)(=O)=O)ccc23)ccc1O 6110509 BCCIJXUZFKJMGA-KZUXQMQWSA-N 429.479 2.673 10 40 IFCB CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12564424 RHTQSZHEXKJFIT-UHFFFAOYSA-N 441.597 2.958 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(CC(=O)NCCc3ccc(O)cc3)C2=O)c1 13572319 RYTWEKARMOUZRL-PDGQHHTCSA-N 428.535 2.961 10 40 IFCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 409044509 GSZRWJROPHRVJA-MNJKBJKMSA-N 447.560 2.864 10 40 IFCB C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409202678 STTYLSDTUCBENP-UYPHOHSBSA-N 429.542 2.961 10 40 IFCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 409403654 AIKYELMFURRSCE-DHDCSXOGSA-N 430.844 2.752 10 40 IFCB COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)NCCCn3ccnc3)C2=O)cc1 9187732 JMCWMYKJTAGYJN-VMOJBDSFSA-N 430.555 2.688 10 40 IFCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(=O)c1ccccc1F 41077931 GJKSWMCDHBSZAA-UHFFFAOYSA-N 426.400 2.877 10 40 IFCB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(N3CCCCC3)cc1)O2 44910730 QZTFBIFGHQBFAX-QFIPXVFZSA-N 443.569 2.829 10 40 IFCB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 408756084 TWUXUXALCGAXOA-UHFFFAOYSA-N 434.235 2.760 10 40 IFCB COc1ccc(CC2=NN3C(=N)/C(=C/c4ccc(O)c(O)c4)C(=O)N=C3S2)cc1OC 9281241 VKGIRSCXZPPIJZ-LBCHCEIWSA-N 438.465 2.977 10 40 IFCB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@@H](CO)Cc1ccccc1 9252593 IYUJBRNERNCAKY-LVSMMTLPSA-N 430.526 2.747 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O[C@@H](C)C(=O)O 409241497 XXNAVPJYVCQOJX-CDDSVFCYSA-N 444.440 2.518 10 40 IFCB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10907926 OALJMDPFVMPCFE-SFHVURJKSA-N 445.585 2.872 10 40 IFCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)c1 1067047 FRSGKDTZKJBJAZ-AWNIVKPZSA-N 447.241 2.838 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(C(=O)O)CC3)C2=O)c1 9302996 YSIDFGUDNAYHAB-VBKFSLOCSA-N 434.539 2.610 10 40 IFCB CN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N(C)C1=O 9311207 HMZMMLWIAKSFFD-UHFFFAOYSA-N 426.341 2.729 10 40 IFCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 13574265 AATSFXAHBUYHMF-IAYHVCARSA-N 445.501 2.855 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 28296909 PCAFRFGOBYMIHB-LICLKQGHSA-N 446.506 2.623 10 40 IFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1C 101032850 DQIWANJOEBMGTK-CPNJWEJPSA-N 445.479 2.680 10 40 IFCB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 10246970 XNTSNSDFOSAXCQ-UHFFFAOYSA-N 442.493 2.790 10 40 IFCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccccc1F 13574273 WBJNBDZBXZNTJD-XCGHDDSDSA-N 445.501 2.855 10 40 IFCB COCCN(CCOC)Cc1c(O)ccc2c(O)c(-c3ccc(OC)cc3)c(=O)oc12 20650650 UIZDXCJJUYLLAS-UHFFFAOYSA-N 429.469 2.975 10 40 IFCB biogenic COc1ccc(N2CCN(C(=O)CCn3nc(-c4ccc(C)cc4)ccc3=O)CC2)cc1 41252832 ZRYRRCQKYCPNBM-UHFFFAOYSA-N 432.524 2.966 10 40 IFCB COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 95465454 KSVHNGISYNCNRS-UHFFFAOYSA-N 443.887 2.726 10 40 IFCB COc1cccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c1OC(C)C 96193428 CYYVYRNACIIGCE-PDGQHHTCSA-N 429.498 2.936 10 40 IFCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)N1CCCC1 223872175 CBJOOGBDFYHDNS-UHFFFAOYSA-N 431.558 2.818 10 40 IFCB CSCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 8870086 PMMKYRBBNORVHM-XDPMZMSMSA-N 438.596 2.909 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 224723446 DYTPHUYANNKLJA-UHFFFAOYSA-N 448.545 2.832 10 40 IFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 408987226 AWIXUWZFIWPPSE-UHFFFAOYSA-N 432.464 2.863 10 40 IFCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@](O)(C(=O)OC)C(F)(F)F)c2C)c1 3208040 GGUKQLIEZXOXON-LJQANCHMSA-N 443.374 2.590 10 40 IFCB Nc1c(N2CCN(C3CCCCC3)CC2)cc(NCCO)c2c1C(=O)c1ccccc1C2=O 9060524 RWNKIHBHNBRJBR-UHFFFAOYSA-N 448.567 2.903 10 40 IFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N(C)C)ccc21 9135436 LNUMSJJPTOBQCS-OAQYLSRUSA-N 428.964 2.758 10 40 IFCB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccn1 9338728 LWTXHJJTTFFCRH-XMMPIXPASA-N 446.463 2.868 10 40 IFCB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13748523 YGAFBLGTYUXWIF-DEDYPNTBSA-N 436.493 2.839 10 40 IFCB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)cc1 409192646 DFISQPQFYDATRH-LVLBFHFTSA-N 440.477 2.769 10 40 IFCB O=C(COC(=O)Cn1cnc2ccccc21)Nc1cccc2c1C(=O)c1ccccc1C2=O 8687565 FESKMXJZZBQTPN-UHFFFAOYSA-N 439.427 2.994 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(OC)cc4OC)C(=O)[C@H]3[C@@H](C(C)=O)N21 8964757 NPGISMYLIOWKBB-JMJGKCIBSA-N 448.475 2.691 10 40 IFCB biogenic CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C2=O)cc1 9262427 NQZVDBLCAOLRGZ-QNGOZBTKSA-N 435.480 2.897 10 40 IFCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)cc1OC 32694301 DWMQAATYLIYUGN-YBEGLDIGSA-N 440.408 2.762 10 40 IFCB O=C1NC(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 409064627 IGJYLBBSPUXMQJ-UHFFFAOYSA-N 441.248 2.511 10 40 IFCB CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715510 AWGJVZVBESCBCW-OAQYLSRUSA-N 449.548 2.728 10 40 IFCB COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(N)=O 13913966 CXIATRIFTCRETI-LICLKQGHSA-N 430.507 2.974 10 40 IFCB COc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 33543542 ZUKSTBLAKGBGRK-LZYBPNLTSA-N 444.490 2.939 10 40 IFCB CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(C)c2=O)Sc2ccccc21 102154575 CVMKJGJRXZEOKV-YLRGQORSSA-N 448.573 2.718 10 40 IFCB Cc1ccc(C(=O)Oc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1 408895694 NXXNAKPBWUQVRK-UHFFFAOYSA-N 445.294 2.891 10 40 IFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC(C)C)C2=O)cc1 408805501 KTZPGHJLDRPPHQ-WOJGMQOQSA-N 438.436 2.935 10 40 IFCB CCOC(=O)c1c(NC(=O)C[C@@H](NCc2cccnc2)C(=O)O)sc2c1CCCC2 10186433 MSLVRMSGZQSITE-OAHLLOKOSA-N 431.514 2.770 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1O 9260040 JXVLRNZSEBKSAQ-WUXMJOGZSA-N 435.205 2.969 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)cc1 409188691 JYGGUUXLUCMGTR-RNEAKCBISA-N 433.420 2.962 10 40 IFCB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2)cc1C 409378509 PLUMGEIOVAMHMV-UHFFFAOYSA-N 437.521 2.920 10 40 IFCB COc1ccc(N2CCN(CCCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 9382949 POJALPLVTTTWML-UHFFFAOYSA-N 434.540 2.996 10 40 IFCB COC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33728801 OHLRBOVGQSIREZ-ZENNRRHLSA-N 430.844 2.750 10 40 IFCB CCN1C(=O)c2cccc3cc(S(=O)(=O)Nc4ccc(O)c(C(=O)O)c4)cc(c23)C1=O 35685773 GVWNAOFJDSAYKI-UHFFFAOYSA-N 440.433 2.660 10 40 IFCB COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1 89466036 DABDMMJFIPTURW-UHFFFAOYSA-N 441.347 2.773 10 40 IFCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c3ccccc32)c1 408544540 WZDOBSVYKMCABZ-WOJGMQOQSA-N 433.489 2.733 10 40 IFCB Cc1nc2cc(-c3nccn3C)nn2c(N2CCN(c3ccc4c(c3)OCCO4)CC2)c1C 12087631 WHLSMACYPHXEPI-UHFFFAOYSA-N 445.527 2.844 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)CC2)cc1 48044486 GCENMKHRKBYUOF-UHFFFAOYSA-N 426.922 2.877 10 40 IFCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccccc1 33535000 OQOHVBNYLVMKSP-UYRXBGFRSA-N 425.510 2.989 10 40 IFCB NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 409223155 HHTPQLPGNUOVHM-RIYZIHGNSA-N 434.235 2.524 10 40 IFCB CCN1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 26965240 CVTVDZCXKADMJE-QINSGFPZSA-N 440.554 2.614 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 223404882 KKXDMBDTZZZQSP-OAQYLSRUSA-N 431.558 2.766 10 40 IFCB O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3ccccn3)c(S(=O)(=O)O)cc2c1 299888513 MJTZJDRAIFALLM-UHFFFAOYSA-N 425.400 2.555 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O 409204101 BBTXEKWHXKAIIN-LFYBBSHMSA-N 431.788 2.937 10 40 IFCB O=C(c1cccs1)N(CCN1CCOCC1)C1CCN(c2ccc3c(c2)OCO3)CC1 19342609 JNEZOEYCHPTHPJ-UHFFFAOYSA-N 443.569 2.920 10 40 IFCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 409075662 SSWISTZCVILBNX-GHRIWEEISA-N 425.485 2.802 10 40 IFCB COc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc(OC)c1OC 2251452 YRBKJQGXTWIWJA-AUWJEWJLSA-N 433.258 2.936 10 40 IFCB COc1ccc(N(CC(=O)Nc2cccc(S(N)(=O)=O)c2)Cc2ccccc2)cc1 8728032 UMENPJMKKZHJQH-UHFFFAOYSA-N 425.510 2.988 10 40 IFCB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 13576222 FIXZKRLTXVRSCN-LVSMMTLPSA-N 428.535 2.785 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)NCC(C)C)cc3)CC2)cc1 408597652 VRHGMBAABCGXMT-UHFFFAOYSA-N 446.573 2.984 10 40 IFCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)s3)N3CCOCC3)ccc21 22735708 JFGGYILLITYQEZ-KRWDZBQOSA-N 442.006 2.746 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)cc1 100556747 XBYAKZDIXXTLPX-OULPAXMSSA-N 429.517 2.719 10 40 IFCB COc1ccc(N2CCN(C(=O)Cn3c(SC)nc4ccsc4c3=O)CC2)cc1 57505126 FGSVDBDAXJNTRI-UHFFFAOYSA-N 430.555 2.537 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)c(C)c1 409256227 KSCUZFYXKSCNJN-UHFFFAOYSA-N 443.912 2.889 10 40 IFCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CCN3CCOCC3)C1=O)O[C@H](C)C2 12569072 BADYHDFLUBLECC-RMENWYJGSA-N 434.583 2.942 10 40 IFCB Cc1ccc(C)c(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)N(C)C)c1 20452364 WPYVIYXRKJVGDD-UHFFFAOYSA-N 444.601 2.833 10 40 IFCB Cc1cc2nc3s/c(=C\c4ccc(N5CCN(C)CC5)c([N+](=O)[O-])c4)c(=O)n3c2cc1C 6194693 JNESNEJXRQSNRU-BKUYFWCQSA-N 449.536 2.734 10 40 IFCB COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 27519513 JXKIUJKTEPHUQD-UHFFFAOYSA-N 428.313 2.894 10 40 IFCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3cccc(Cl)c3)C(=N)N21 20211390 CBXCEDFFKGQNBW-KWWXOIQGSA-N 433.902 2.752 10 40 IFCB CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 32770711 OMBBSIKQWKPBSZ-UHFFFAOYSA-N 425.894 2.906 10 40 IFCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 408948766 GMDLPKNEUXHBNV-NTUHNPAUSA-N 445.225 2.853 10 40 IFCB COc1cccc(/C=C2\SC(=S)N([C@@H](C)C(=O)N3CCC(C(=O)O)CC3)C2=O)c1 9252585 AJKKNLCWHVXPFZ-IEMQHYRPSA-N 434.539 2.608 10 40 IFCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)N1CCCCCC1 9480670 QKXJYLWMNNYCQD-XDJHFCHBSA-N 429.542 2.962 10 40 IFCB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22735785 STFUDUOYJCDYJC-DEOSSOPVSA-N 442.629 2.508 10 40 IFCB CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)cc1 32099613 LXSXKICELCXZDP-WJDWOHSUSA-N 438.431 2.749 10 40 IFCB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 36778974 WEQJGSJKPZFLIX-UHFFFAOYSA-N 428.231 2.964 10 40 IFCB COc1ccc(N2CCN(C(=O)c3cn(-c4cc(-c5nc(C)no5)ccn4)cn3)CC2)cc1 71768228 GJLPROJZGXJXRM-UHFFFAOYSA-N 445.483 2.597 10 40 IFCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 2796100 FMJSHZYQFWYKTG-QGOAFFKASA-N 428.286 2.747 10 40 IFCB CN(Cc1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O 13668291 XHBCVVBBZVJUAV-UHFFFAOYSA-N 445.585 2.764 10 40 IFCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 13990355 SSRNUPVECHZFJK-QNGOZBTKSA-N 442.541 2.909 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3cccc(C)c3)S(C)(=O)=O)CC2)cc1 220128108 GKTVDHLAYJHMMT-SFHVURJKSA-N 431.558 2.507 10 40 IFCB COc1cccc([C@H]2N[C@H](c3cccc(OC)c3O)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])c1O 12384075 ZTPKNMMKKOGLOR-SMOSDQRPSA-N 447.444 2.817 10 40 IFCB CN(C)c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 13504431 OYULYBKSPSUNBB-ZEQRLZLVSA-N 447.587 2.830 10 40 IFCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCOCC2)cc1 16914843 UJTVLHDLBVUGPX-XMMPIXPASA-N 443.613 2.983 10 40 IFCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N(C)C)C2=O)c1 408528467 GCNUEXSEVBRFGY-JLHYYAGUSA-N 434.456 2.530 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1O[C@@H](C)C(=O)O 409239656 IAOHZCOZXAPTOT-XDUBLRSXSA-N 440.477 2.687 10 40 IFCB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccc(Cl)cc1 409222774 CNQIIVUAIVHYIW-UHFFFAOYSA-N 434.235 2.760 10 40 IFCB CC(/C=C1\SC(=S)N(CCCC(=O)NN2CCN(C)CC2)C1=O)=C\c1ccccc1 8820581 WDPKEMXPRREQOI-SRKLUXGOSA-N 444.626 2.893 10 40 IFCB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc1 8870270 GMJPYLQWRLAORZ-XNTDXEJSSA-N 430.536 2.966 10 40 IFCB CCOC(=O)COc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 9908218 JZSNPULYGZIOLZ-UHFFFAOYSA-N 431.297 2.534 10 40 IFCB CC(=O)N1C(=O)/C(=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)c2ccccc21 8821912 QUQCGDCBYOGZOZ-VXPUYCOJSA-N 432.505 2.742 10 40 IFCB Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 9260365 SHQGFARXYGJOBG-ZSOIEALJSA-N 430.869 2.943 10 40 IFCB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1OC 10188290 DLHBESYBTKFBRN-HXUWFJFHSA-N 440.544 2.662 10 40 IFCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 59426642 VPOPFRKXTDEKBX-NVNXTCNLSA-N 425.397 2.895 10 40 IFCB COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409213696 SPUUJEDQUKUHEF-XDHOZWIPSA-N 438.459 2.966 10 40 IFCB C[C@@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1cccc2c1C(=O)c1ccccc1C2=O 12139585 CDEJQZVZAKZQOT-MGPUTAFESA-N 429.544 2.856 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Br)cc1OC 409389508 BRJBGTXCQDIRPD-MDWZMJQESA-N 446.257 2.918 10 40 IFCB CCOc1cc(OCC)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 59139707 XESCBKFQNJWNQZ-UHFFFAOYSA-N 427.320 2.845 10 40 IFCB CCCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br 409048122 RSPLKMUHKDYCDQ-UHFFFAOYSA-N 432.068 2.750 10 40 IFCB CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@@H]1c1ccc(N(C)C)cc1 1442108 LGNMAUMMVJRRGD-GOSISDBHSA-N 429.498 2.633 10 40 IFCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 9423815 MPGMMJMMBUVGGF-BDKRGJGYSA-N 447.447 2.891 10 40 IFCB CCN(CCO)C(=O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 27530669 MGIFXIRNAPAMPK-SDNWHVSQSA-N 443.388 2.881 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1O 409099701 SEFIAFIZSASKOL-NTEUORMPSA-N 428.466 2.639 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)N3CCCCC3)ccc21 13007968 PMRSUVFBYXVOGY-NRFANRHFSA-N 426.586 2.700 10 40 IFCB COc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 13671021 XMEBXIAFAUEVLA-QGZVFWFLSA-N 431.558 2.766 10 40 IFCB Cc1ccc(C(=O)Oc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1 408880406 JSDWYUWRXTYCMI-UHFFFAOYSA-N 429.226 2.726 10 40 IFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 408902395 IKWTVAYTGAJLLR-MDWZMJQESA-N 432.186 2.729 10 40 IFCB CCc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9459775 PPPXTSVBRUKTAA-NRFANRHFSA-N 430.570 2.910 10 40 IFCB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1OC 13008351 QZCQLHPONYIURS-JOCHJYFZSA-N 439.556 2.890 10 40 IFCB CO[C@H]1C=C[C@](CNC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)(OC)O1 16992557 UOQXCKNMDRWCRU-UZLBHIALSA-N 444.469 2.911 10 40 IFCB CN1CCN(Cc2cc(CN[C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)ccc2O)CC1 19590064 CKEABFMGBKBPOW-QPPBQGQZSA-N 444.526 2.527 10 40 IFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 9884768 DJFKKVWGDIOYDZ-FUEWVNAISA-N 448.434 2.984 10 40 IFCB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 13012281 PRKCBAOTJHTUER-UHFFFAOYSA-N 432.907 2.607 10 40 IFCB CN1CCN(c2ccc(CNS(=O)(=O)c3ccc(Br)s3)cc2)CC1 96234480 RTLHNQFTOONIBD-UHFFFAOYSA-N 430.393 2.741 10 40 IFCB CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 658490 XSPUVXGTGJLCHQ-VKRGWIQLSA-N 427.320 2.892 10 40 IFCB Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 3357449 GQIBDBYMIVPMNN-UHFFFAOYSA-N 449.438 2.663 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc(OC)c1O 35040760 MMMOTXQDNYLNNA-MHWRWJLKSA-N 430.507 2.885 10 40 IFCB COc1ccc(N2CCN(CCCNC(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 9919386 MWATVUHPDABETR-UHFFFAOYSA-N 436.556 2.764 10 40 IFCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O 13894193 YRICNHJAXASDSJ-NTUHNPAUSA-N 435.205 2.969 10 40 IFCB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)Oc2ccc(Cl)cc21 20042604 KDNDGTMWWZAMMM-FQEVSTJZSA-N 449.960 2.784 10 40 IFCB O=C1N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 409011710 IEJCAUIKYWUSBH-GZTJUZNOSA-N 426.404 2.663 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OC 409239401 NENFKJAFJSYTQS-SDQBBNPISA-N 432.230 2.528 10 40 IFCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 9311342 CMYKHOCDMXTJCK-DHDCSXOGSA-N 444.827 2.869 10 40 IFCB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O 102608985 LUDWYMXAAHUFIT-BLMOFCDVSA-N 432.436 2.849 10 40 IFCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/NCCc1ccccc1 1901520 PHANADUYTJLDIF-FOWTUZBSSA-N 430.327 2.913 10 40 IFCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)N(c2ccc3c(c2)OCO3)C(=O)N=C1O 18271893 FSWYWBTYCIONRZ-CCAPLTMGSA-N 432.392 2.804 10 40 IFCB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1 20356356 JSYBMGZSRGULMH-KNTRCKAVSA-N 447.626 2.815 10 40 IFCB COc1ccc(N2CCN(C(=O)Cn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)cc1 23125493 LMXWOZSAQZWKCX-UHFFFAOYSA-N 431.496 2.544 10 40 IFCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408740637 HTOQFSVAEMNUBI-ZSOIEALJSA-N 427.438 2.752 10 40 IFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 3196540 LTLVTBHLMZFTJT-UEUZTHOGSA-N 430.301 2.968 10 40 IFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCCC3)ccc21 9135527 ZRWVWYUIQJBMPF-HSZRJFAPSA-N 438.547 2.778 10 40 IFCB CCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 14269015 PXZXQFFOSOTKBF-UHFFFAOYSA-N 444.513 2.839 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H](C(C)=O)N21 101487281 WBQOBACKPZFYNV-KAOXLYBCSA-N 430.460 2.877 10 40 IFCB C=CCOc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 107929473 SXHBCFXWTXQCTM-BOPFTXTBSA-N 425.441 2.790 10 40 IFCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 9060005 LIIXTLWPKXXRTL-ZHZULCJRSA-N 445.520 2.920 10 40 IFCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(I)c1O 58866122 ACHAXSGBKDXEAB-UHFFFAOYSA-N 430.194 2.759 10 40 IFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1 6997591 APLCMUPKPPLGMV-PTNGSMBKSA-N 446.257 2.545 10 40 IFCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)c(C)c1 16284810 HAZSRQRHQJHQKZ-ZROIWOOFSA-N 438.396 2.836 10 40 IFCB Cn1c(=O)n(C)c2cc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)ccc21 9305615 CDPBYZQPJXEQBL-CXUHLZMHSA-N 425.491 2.981 10 40 IFCB Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c(C)c1 23080582 LRRMORXQIKKQAC-HSZRJFAPSA-N 444.645 2.945 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)cc1 100556751 XBYAKZDIXXTLPX-RJMSQQIXSA-N 429.517 2.719 10 40 IFCB CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCC(=O)O 409141127 UGPOCPWKMZPVAG-BOPFTXTBSA-N 426.450 2.949 10 40 IFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1 6579919 DPPCFMKCQQXMRN-GDNBJRDFSA-N 429.226 2.902 10 40 IFCB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(C)c1 22998976 ZZECXIFCPCGGQE-QFIPXVFZSA-N 438.572 2.806 10 40 IFCB Cc1c(N/C=C2\C(=O)NC(=O)N(C3CCCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 101251132 KNRJTQCUZMSBCO-NBVRZTHBSA-N 437.500 2.581 10 40 IFCB Cc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)OC4(CCCCC4)OC3=O)cc2)no1 101268504 ALLVAVUEUXANRT-UHFFFAOYSA-N 447.469 2.840 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OC 409373046 PYCOKFBDZNPYES-SDQBBNPISA-N 435.230 2.721 10 40 IFCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br 83259201 PXRPNWQNBBARFX-WUXMJOGZSA-N 435.230 2.721 10 40 IFCB COc1ccccc1/C=C1/SC(=S)N(CC(=O)Nc2ccc(O)cc2C(=O)O)C1=O 13572054 ZKPVTGNZDMIQHD-LZYBPNLTSA-N 444.490 2.939 10 40 IFCB CCOc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49004026 COECSCYCMVURNI-UHFFFAOYSA-N 432.473 2.850 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 223102864 XHISKPCHNDUFPY-NRFANRHFSA-N 431.558 2.685 10 40 IFCB NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409217688 FFPPBFTWJWQMPD-VGOFMYFVSA-N 434.235 2.524 10 40 IFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2OC)C1=O 409235755 QIRUCOLEESNYCU-XMHGGMMESA-N 435.480 2.761 10 40 IFCB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13008034 PDFUUFMIARCCIZ-HSZRJFAPSA-N 436.556 2.969 10 40 IFCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 22735654 BTBIRLFSJJJZSV-NRFANRHFSA-N 435.977 2.684 10 40 IFCB C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1)N1CCN(CCO)CC1 25176767 NYQZRNXZTVDKNH-FXBPSFAMSA-N 447.564 2.931 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 36207470 BFHIAPHKEJCZID-NTEUORMPSA-N 431.451 2.855 10 40 IFCB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1C 98086611 SQKLVOISDUEVRG-XSFVSMFZSA-N 436.537 2.884 10 40 IFCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 26770699 XDTFFTVRRHCYNL-VOSMRYOYSA-N 447.560 2.783 10 40 IFCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N[C@@H](CO)Cc1ccccc1 33542548 PQEQHSLRRZCJDF-XWALVKJWSA-N 426.563 2.998 10 40 IFCB Cc1ccccc1N1C(=O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S 100773197 ZLOOIPKTGDFTHS-GHRIWEEISA-N 447.520 2.537 10 40 IFCB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12 101056064 PHIIUFYSERMMCS-NTCRLEKGSA-N 449.492 2.815 10 40 IFCB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1C[C@@H]3C[C@H](C1)c1cccc(=O)n1C3)c2O 12659865 IGCFVSFELMHODH-LSDHHAIUSA-N 440.455 2.589 10 40 IFCB biogenic CC1(C)OC(=O)C(=Cc2ccc(Sc3nc(=N)ss3)c([N+](=O)[O-])c2)C(=O)O1 59488818 MZHIZNSRGYJCDY-UHFFFAOYSA-N 425.469 2.963 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC 408817734 WPSPSBBIGZTIKU-NTUHNPAUSA-N 447.241 2.838 10 40 IFCB CN1C(=O)/C(=C\c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)SC1=S 8870000 LPJPGYODRJVPMW-WLSWZUKCSA-N 426.519 2.943 10 40 IFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 101141466 RMIWZYOXWZLPNP-QNGOZBTKSA-N 440.525 2.734 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OC(C)C 408903859 ALSVXTHAMDZNQF-UHFFFAOYSA-N 427.320 2.844 10 40 IFCB CC(C)c1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 13676073 FBHPVSZJJYZOMX-UHFFFAOYSA-N 445.585 2.729 10 40 IFCB CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc([C@@H]2CCS(=O)(=O)C2)n(C)c1=S 40155473 TYFUEUVZUXMOSE-QGZVFWFLSA-N 437.635 2.787 10 40 IFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1797777 OYPKGXDMUWXBRC-OBTCNRAFSA-N 448.434 2.984 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C(=O)O)CC3)C2=O)cc1 9042137 UICRQGGPTYDUCP-LGMDPLHJSA-N 448.566 3.000 10 40 IFCB COc1ccc(N2CCN(c3ncc(S(=O)(=O)c4ccc(C)cc4)c(N)n3)CC2)cc1 33301859 YLLYYBVDYCMIOU-UHFFFAOYSA-N 439.541 2.535 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 409012726 RNUJZOYJUHBORI-UXYFDLPDSA-N 444.827 2.867 10 40 IFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 9310737 LSAVGQQRTZCQDS-UHFFFAOYSA-N 440.521 2.731 10 40 IFCB CCc1ccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 13660089 MMGDGLARAHHBQA-GQECEEOXSA-N 427.511 2.661 10 40 IFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1 16909879 IBOYUGHXJYHNMN-MHWRWJLKSA-N 444.490 2.705 10 40 IFCB CN1CCN([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccc(N(C)C)cc2)CC1 22418612 CCTGZKPPOCLXEX-FQEVSTJZSA-N 425.533 2.592 10 40 IFCB Cc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)ccc1N1CCCC1 409201411 MTWLKCNNLPALCZ-LSPINASFSA-N 429.542 2.927 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCC(=O)O 12868187 FDJRQHNPWYYNLE-NTUHNPAUSA-N 436.848 2.607 10 40 IFCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)OCC 108089464 QMKMGDUIJPFJDO-UYRXBGFRSA-N 436.464 2.827 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c(C)c1 409251053 OBEFMQMFFJCZDG-UHFFFAOYSA-N 443.912 2.889 10 40 IFCB CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408804234 DORIEJLLPRNVAW-LDADJPATSA-N 438.436 2.937 10 40 IFCB COc1ccccc1/C=C1\SC(=S)N([C@@H](C)C(=O)NCCCn2ccnc2)C1=O 9187740 NNBVQVPFGOESDX-VMOJBDSFSA-N 430.555 2.688 10 40 IFCB CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 9265670 KWKALCWGVFZIDU-XDHOZWIPSA-N 444.447 2.938 10 40 IFCB Cc1sc2nc(CS[C@@H](C)C(=O)NCCc3ccc(O)c(O)c3)[nH]c(=O)c2c1C 89562953 JKWXBJPNXWMBFL-LBPRGKRZSA-N 433.555 2.993 10 40 IFCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409215108 ZVXDWLOAPXZGNV-UHFFFAOYSA-N 426.385 2.615 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@H](C)Sc3nc(Cl)nc4nc[nH]c34)CC2)cc1 9421246 QOXUHCSXNFTIRP-LBPRGKRZSA-N 432.937 2.844 10 40 IFCB Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccc2c(c1)OCO2 11906630 FCKQORQEOZCTLV-UHFFFAOYSA-N 438.527 2.763 10 40 IFCB CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1 22735800 WADKSFFSCSIVLJ-NRFANRHFSA-N 449.020 2.599 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 225743210 NBPITNIWDNUSBO-UHFFFAOYSA-N 434.518 2.523 10 40 IFCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409392067 KPOGDRVOBLEMDG-MDWZMJQESA-N 446.257 2.918 10 40 IFCB COc1ccc(N2CCN(C3=NC(=O)C[C@H](C(=O)Nc4ccc(C(C)C)cc4)N3)CC2)cc1 8758174 VXFJNFPMWWEFBT-JOCHJYFZSA-N 449.555 2.824 10 40 IFCB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8800933 HCBOPNYDJINGQX-NRFANRHFSA-N 445.585 2.812 10 40 IFCB C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 98086677 CJGJCCVNKMTFID-MFVBVHDHSA-N 437.427 2.858 10 40 IFCB CC(=O)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 34702715 PDFVOUSGLBRCEW-QPEQYQDCSA-N 446.213 2.744 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1O[C@H](C)C(=O)O 409244067 WZNCJRXGUXTVQF-KWWJGWKXSA-N 440.477 2.687 10 40 IFCB CCN(CC)c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 20207237 WGZSLQDOQPSUJH-GQECEEOXSA-N 433.559 2.933 10 40 IFCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)s3)N3CCOCC3)ccc21 22735705 JFGGYILLITYQEZ-QGZVFWFLSA-N 442.006 2.746 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 223358170 WBUUBCMERKGYKD-UHFFFAOYSA-N 436.553 2.601 10 40 IFCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 408904227 GSSMNDDWWVYGNW-WUXMJOGZSA-N 448.254 2.894 10 40 IFCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C(=O)NC1=S 6973852 ZFUMYKYFLGDBGR-JYRVWZFOSA-N 430.869 2.943 10 40 IFCB O=C(O)CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)SC1=S 9310476 ULJSICOQSXITSY-MHWRWJLKSA-N 428.491 2.990 10 40 IFCB CN1CCCc2cc([C@H](CNC(=O)Nc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 35597182 OFBHFAKSTWPBCG-NRFANRHFSA-N 438.528 2.993 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)O)C2=O)cc1 409246189 GEHPADQAWBMKJM-LVLBFHFTSA-N 438.436 2.776 10 40 IFCB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3ccc(N4CCCC4)cc3)cc2)[C@@H](C(N)=O)C1 19699235 OETYWOFXEMKHFS-RPBOFIJWSA-N 434.584 2.966 10 40 IFCB COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c(Cl)cc1O 36613139 VGLBKHSWWCYRLU-IWKZGAEBSA-N 431.875 2.573 10 40 IFCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838404 OVHMPNOKVVYHJW-QHCPKHFHSA-N 436.556 2.506 10 40 IFCB Cc1ccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1C 20211377 AKIWKRMXSNYZCU-YERBQUFUSA-N 427.511 2.715 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1O[C@H](C)C(=O)O 409239655 IAOHZCOZXAPTOT-KWWJGWKXSA-N 440.477 2.687 10 40 IFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 10232810 DJFKKVWGDIOYDZ-AISSWFOISA-N 448.434 2.984 10 40 IFCB C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 43730663 IRDVGJQCOKMEBC-LHFDLFKZSA-N 426.563 2.996 10 40 IFCB O=C(c1cccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)N1CCC[C@@H]1CO 97165691 UIPFWDOXTFNIKZ-QGZVFWFLSA-N 425.489 2.799 10 40 IFCB COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 33528477 RXQUBDXAGUBMLX-GPILYODUSA-N 445.815 2.650 10 40 IFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OCC)c3)C2=O)cc1 408802509 YLIKDKLUIIODTQ-SFQUDFHCSA-N 438.436 2.937 10 40 IFCB COc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408949516 IGVAGXZKGIWAGE-WOJGMQOQSA-N 431.404 2.881 10 40 IFCB COc1ccc(N2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)cc1 9983948 IFYOMWFPLQRQMN-UHFFFAOYSA-N 446.345 2.926 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 408741631 RFJQDWHPHBIBOP-DHDCSXOGSA-N 441.396 2.677 10 40 IFCB COc1cc(/C=C2\C(=O)N=C(S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)O 8769502 UEGOUZZRDYCFPF-OQLLNIDSSA-N 426.450 2.710 10 40 IFCB COc1ccc(/C=C2\C(=N)N3C(=NC2=O)Sc2cc(S(C)(=O)=O)ccc23)cc1OC 6072765 PIDGQUSWXCYXMU-IIQNZDCVSA-N 443.506 2.976 10 40 IFCB COc1ccccc1N1C(=O)/C(=C\NNC(=S)Nc2ccccc2)C(O)=NC1=S 38167112 AHAXSLSJKQQLLH-QBFSEMIESA-N 427.511 2.658 10 40 IFCB CN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Br)cc3)cc2)CC1 216949016 HULHDDLFWDJVFC-UHFFFAOYSA-N 438.391 2.821 10 40 IFCB CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 3371740 PZMUSJHFMQAGFN-UHFFFAOYSA-N 425.441 2.596 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 409247409 HCVRIISJSBZOJQ-CPNJWEJPSA-N 435.480 2.815 10 40 IFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCC3)ccc21 9135667 SWSDAEMVHKELIK-XMMPIXPASA-N 434.584 2.681 10 40 IFCB C[C@@H](Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)O 34721124 NEVORFFATGWIHO-MKVLZVNKSA-N 431.242 2.762 10 40 IFCB CCOC(=O)CN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 1810144 RTQGZPKAFATSQX-SEYXRHQNSA-N 441.328 2.560 10 40 IFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409049826 XVTAYVFVDOKKFS-UHFFFAOYSA-N 443.843 2.506 10 40 IFCB COc1ccc(N2CCN(C(=O)CSc3nnc(NC(=O)C4CCC4)s3)CC2)cc1 1381602 XQONXZRBMUMLRG-UHFFFAOYSA-N 447.586 2.726 10 40 IFCB O=C(O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 1186736 MAZWVTOALNSXKH-DHDCSXOGSA-N 445.225 2.579 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C 22735828 GMEOZFSAMWCQFG-DEOSSOPVSA-N 442.629 2.563 10 40 IFCB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 48356387 ALFWNHGYEQPIAJ-SFHVURJKSA-N 444.601 2.616 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCC3)ccc21 8964113 WMGSOHSIUFNLAP-OAQYLSRUSA-N 428.483 2.849 10 40 IFCB COc1ccc(N2CCN(CCCNc3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 28743047 NJSWBMYHNWABCZ-UHFFFAOYSA-N 435.454 2.776 10 40 IFCB CN(C)c1ccc(CN[C@H]2CO[C@@H]3[C@@H](n4cc(CC5CCCCC5)nn4)CO[C@H]23)cc1 5396135 KJHICENDBTYHPS-CJRSTVEYSA-N 425.577 2.964 10 40 IFCB biogenic,in-vitro COc1ccc(N2CCN(C(=O)COC(=O)CCC(=O)c3ccc(F)cc3)CC2)cc1 9635573 PIATWZYCQDIBTJ-UHFFFAOYSA-N 428.460 2.689 10 40 IFCB CN1CCCc2cc([C@@H](CNC(=O)COc3ccccc3F)N3CCOCC3)ccc21 13008370 BHBZWQJFDVVPGS-JOCHJYFZSA-N 427.520 2.777 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1O 409245699 XSMQBGNYVMLRGY-WUXMJOGZSA-N 432.230 2.615 10 40 IFCB COC(=O)c1sc2nc(CN3CCN(c4ccc(OC)cc4)CC3)nc(O)c2c1C 8687839 SFGMTSSSIMLCOI-UHFFFAOYSA-N 428.514 2.823 10 40 IFCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OCC(=O)Nc1ccccc1 408527705 BKTXQFFTEOPTDE-WQRHYEAKSA-N 425.466 2.819 10 40 IFCB O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1Cl 409261382 BCGGGQNOXLBDAF-UHFFFAOYSA-N 434.235 2.760 10 40 IFCB CCN1C(C)=C(C)S/C1=c1\s/c(=C2/C(=O)N(c3ccccc3)N=C2C)n(CC)c1=O 28615416 OUFDTDRIXQRGJQ-CAFBOWOJSA-N 440.594 2.889 10 40 IFCB COc1cccc2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)nc12 54360836 BZTJAGAQKCKEPM-OJLMPMFISA-N 432.479 2.763 10 40 IFCB Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1 409249620 KAKSMHNVMDJMKN-UHFFFAOYSA-N 427.844 2.724 10 40 IFCB CCN(CC)C(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383321 SVFCVBUNCLPFPJ-UHFFFAOYSA-N 442.537 2.731 10 40 IFCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@H](C(C)=O)N21 13681001 WBQOBACKPZFYNV-BJESRGMDSA-N 430.460 2.877 10 40 IFCB Cc1nn(C)c(C)c1[C@@H]1CC(c2ccc(O)cc2)=NN1c1ccc(S(N)(=O)=O)cc1 227173476 VYFBMDALTNRBOQ-FQEVSTJZSA-N 425.514 2.746 10 40 IFCB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(O)c(C(=O)O)c4)ccc(c23)C1=O 94993263 IYFXSVRWRTUFKP-UHFFFAOYSA-N 440.433 2.660 10 40 IFCB C[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)O 1565525044 YRUHDDLONITHQQ-WNSKOXEYSA-N 446.507 2.768 10 40 IFCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)SC1=S 1276943 XLMGBXWLQPCWEM-KLDHPSGWSA-N 432.317 2.926 10 40 IFCB Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22734863 QIKBMDFEODDPLQ-XMMPIXPASA-N 436.600 2.861 10 40 IFCB CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1 22735782 STFUDUOYJCDYJC-XMMPIXPASA-N 442.629 2.508 10 40 IFCB COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(S(C)(=O)=O)CC2)ccc1O 1271883 LVKVGMSGMBMNBR-GOSISDBHSA-N 443.525 2.696 10 40 IFCB COc1cc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc(OC)c1OC 8828420 ADUKFZFYFXXKBZ-LGMDPLHJSA-N 438.571 2.636 10 40 IFCB COc1ccc(Br)cc1/C=C1\SC(=S)N(CCS(=O)(=O)O)C1=O 16729298 BZZRZOCZOOSENI-XFFZJAGNSA-N 438.346 2.547 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 4330820 RQCPURVCMWGSLI-HXUWFJFHSA-N 425.489 2.553 10 40 IFCB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1 23134851 KHHBFELWSVLADE-UHFFFAOYSA-N 447.326 2.936 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 225069677 JYWNHCJQGRYHGU-MRXNPFEDSA-N 448.545 2.912 10 40 IFCB Cc1c(N/C=C2/C(=O)N=C(S)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 102508032 GTXPDVJJPIYSSW-LGMDPLHJSA-N 433.493 2.639 10 40 IFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)[nH]c2ccccc12 9209769 RMIIUIAESFMXBW-AQTBWJFISA-N 446.532 2.986 10 40 IFCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 23380931 XMKGQBUAFKGDGV-DHDCSXOGSA-N 426.381 2.674 10 40 IFCB CN1CCN([C@@H](CNC(=O)c2ccc(Br)o2)c2ccc3c(c2)CCN3C)CC1 22733713 UPSPHFSPUSYKQM-SFHVURJKSA-N 447.377 2.753 10 40 IFCB CCN(CCO)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccccc3F)C2=O)cc1 103106317 MLLPXZJKJMRAEO-SSZFMOIBSA-N 428.489 2.799 10 40 IFCB CN1CCN(c2ccc(CNC(=O)c3ccccc3I)cc2)CC1 216932084 JQZFZGXDEJGYJO-UHFFFAOYSA-N 435.309 2.973 10 40 IFCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 2115350 GURXHLOONQEQQJ-STZFKDTASA-N 434.496 2.671 10 40 IFCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCN2CCOCC2)cc1 19943956 WIGQAKCQYOGFBS-XLNRJJMWSA-N 438.503 2.781 10 40 IFCB C[C@H](Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)O 34721122 NEVORFFATGWIHO-SAIXKJTDSA-N 431.242 2.762 10 40 IFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(Cl)ccc3OC)nnc2n1 10165929 OHZWMOPKDCCRHJ-UHFFFAOYSA-N 436.929 2.776 10 40 IFCB CN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 58168986 DPOXWQHDSPXMPS-GOSISDBHSA-N 433.530 2.856 10 40 IFCB C[C@@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)ccc21 409191569 ZHYNWSLHNQTQIO-RGZVIEDOSA-N 447.403 2.682 10 40 IFCB CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3OC)C1=O)OCO2 12469317 LIECAHXHRRSEFF-MDWZMJQESA-N 426.450 2.654 10 40 IFCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)Sc2cc(S(C)(=O)=O)ccc23)ccc1O 16956846 BCCIJXUZFKJMGA-NHSARVKJSA-N 429.479 2.673 10 40 IFCB O=C1CCCN1CCCNC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 23234583 BSAWJTWSSDUBPN-UHFFFAOYSA-N 444.576 2.929 10 40 IFCB CCCn1c(=O)/c(=C2/C=Cc3ccccc3N2CC)s/c1=C1\SC(=S)N(C)C1=O 100181106 NXLXAULESGXEQG-GDBZGQKOSA-N 443.619 2.580 10 40 IFCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NCCCN1CCOCC1 8820443 CNIUYGTVLYNTCS-DURWOYGOSA-N 445.610 2.673 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCC(C)C 96193710 DUZPLGLZBWGFCQ-UHFFFAOYSA-N 425.279 2.926 10 40 IFCB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccccn1 9322750 GHBHSLWLVLOJOM-XMMPIXPASA-N 430.464 2.902 10 40 IFCB COc1ccc(-n2nnnc2CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 23134831 NFQYEXVVFOCRFS-UHFFFAOYSA-N 436.560 2.532 10 40 IFCB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 13576224 FIXZKRLTXVRSCN-PBXDPIQXSA-N 428.535 2.785 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H](C(C)=O)N21 101483685 OHJZXWILKAGHBT-SSGKUCQKSA-N 446.459 2.599 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O 408852709 VSFOSLGAATZSTD-OVCLIPMQSA-N 425.397 2.982 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3OC)C2=O)cc1 409239014 YKHGOQJGMSSHOJ-XSFVSMFZSA-N 435.480 2.761 10 40 IFCB CCOC(=O)CN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)SC1=S 1277083 WUOLLXYWJMFKFV-WDZFZDKYSA-N 432.317 2.928 10 40 IFCB Cn1c(-c2ccccc2)cnc1SCC(=O)NC(=O)NC[C@H]1COc2ccccc2O1 9224056 OEHJESFWYZHILZ-INIZCTEOSA-N 438.509 2.845 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCOCC2)cc1 22998945 KKEJYFPSFJSUTI-FQEVSTJZSA-N 448.926 2.673 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 225178414 KEXSGNHPNUZMBC-UHFFFAOYSA-N 449.573 2.632 10 40 IFCB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c(OC)c1 13008347 KJLMBWYUIQCPOA-HSZRJFAPSA-N 439.556 2.890 10 40 IFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[nH]c2ccccc12 2396259 FHKSTGJBLWYKKR-PDGQHHTCSA-N 434.427 2.652 10 40 IFCB CCOC(=O)Cc1csc(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 4058033 GZISKFNURTUZKV-UHFFFAOYSA-N 435.571 2.698 10 40 IFCB COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 108119352 LEVHFROYTXEWMU-YUSFRKCESA-N 430.844 2.750 10 40 IFCB CN1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)s2)c2ccc(N(C)C)cc2)CC1 23080623 FUUGJOYMVLXLOE-QGZVFWFLSA-N 443.038 2.735 10 40 IFCB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccc(OC)c4)CC3)CC2)cc1 408971971 MZLQZVRLFXWGQM-UHFFFAOYSA-N 437.540 2.905 10 40 IFCB COc1c(Br)cc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 4424601 OEZAPBJMAZZONT-UHFFFAOYSA-N 432.068 2.654 10 40 IFCB Cc1cc(C(=O)[C@@H](C)OC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1-c1ccccc1 12569512 DBXJNBXMIJHOBU-QGZVFWFLSA-N 445.475 2.912 10 40 IFCB COc1ccc(N2CCN(C(=O)Cc3cnc(-c4ccc(Cl)cc4)[nH]c3=O)CC2)cc1 19937681 KJHMNYWTQUICNT-UHFFFAOYSA-N 438.915 2.990 10 40 IFCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3c(C)n[nH]c3C)C2=O)c(C)cc1Br 408534813 RIDDNDUFFAPWNX-KPKJPENVSA-N 432.278 2.985 10 40 IFCB O=C([C@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c2ccccc2O1)N1CCOCC1 13164709 YHJQHZVVEZJPQO-BREAQWACSA-N 444.491 2.539 10 40 IFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cncn2)cc1 9290927 YCXZFVXUWNNROZ-JWGURIENSA-N 430.468 2.978 10 40 IFCB O=C(CSc1nccc(=O)[nH]1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 12601507 ZBFSDEMWLVEZDI-UHFFFAOYSA-N 425.853 2.930 10 40 IFCB CN(C)c1ccc(CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57607686 OQUHVRFUNJZSLI-UHFFFAOYSA-N 448.527 2.647 10 40 IFCB CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1=O 9946143 PIASHHRUJUEMEF-QHCPKHFHSA-N 443.475 2.988 10 40 IFCB COc1ccc(N2CCN(C[C@@H](CC(=O)Nc3cccc(OC)c3)C(=O)O)CC2)cc1 71280471 XCQRWVIEOQQWFM-QGZVFWFLSA-N 427.501 2.555 10 40 IFCB CC1CCN(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)CC1 9403422 UBFICYTZVNFOFF-UHFFFAOYSA-N 436.420 2.786 10 40 IFCB CN(C)C(=O)c1ccc(C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)nc1N 19765752 FRNYZVVMOXVSNF-UHFFFAOYSA-N 441.551 2.721 10 40 IFCB COC(=O)c1cc2ccccc2c(CN2CCN(Cc3nnc4n3CCCCC4)CC2)c1O 22807578 JFVLMNVZBLROSF-UHFFFAOYSA-N 449.555 2.968 10 40 IFCB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1)c1ccccc1 72344768 LHDBZAOYDSNORU-SFHVURJKSA-N 437.544 2.795 10 40 IFCB CN1CCN(C2=NC(=O)/C(=C/c3ccccc3OS(=O)(=O)c3ccccc3)S2)CC1 20394645 FEASKJVKZUJPBY-CYVLTUHYSA-N 443.550 2.672 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)cc1OC 33401629 MUINCVQXBRUJCN-NTUHNPAUSA-N 436.540 2.704 10 40 IFCB CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 72303729 UUHWUAPUSZESAG-QGZVFWFLSA-N 435.480 2.567 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc2c1OCO2 408962818 VQKCTJHISRCVHK-AWNIVKPZSA-N 445.225 2.853 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCCC2)cc1 5340666 VNVTYFWYPCNWHB-NRFANRHFSA-N 428.964 2.976 10 40 IFCB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 8995559 VEMJWPWPDSUDDA-KTZOAPACSA-N 432.523 2.769 10 40 IFCB COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1 4083674 GQZMUKPATJBIPW-UHFFFAOYSA-N 425.510 2.788 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1 33540150 POVILOIRVWUTGL-LZYBPNLTSA-N 444.490 2.939 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C/NC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 408527009 DRFBZKFMCCGSLR-GDNBJRDFSA-N 428.832 2.945 10 40 IFCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408895663 VHPWHEUCMLZVRX-QPEQYQDCSA-N 438.274 2.887 10 40 IFCB CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)cc1 35442473 RYSWPKVXAPFOPT-ARNLJNQMSA-N 449.599 2.545 10 40 IFCB biogenic,in-vitro C[C@H](Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])C(=O)O 108101606 HPNVYRJFURROMY-WULZRQGASA-N 431.788 2.562 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)OC 408783086 MWCAMDMGNMLGHI-GZTJUZNOSA-N 438.436 2.612 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1 409249876 IZKHNSUXONJINQ-UHFFFAOYSA-N 427.844 2.724 10 40 IFCB Cc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734872 DMUVDYJEPLQMRH-VWLOTQADSA-N 436.600 2.861 10 40 IFCB COc1ccc(N2CCN(CCCNC(=O)Nc3cnc4c(c3)c(C)nn4C)CC2)cc1 48262205 BCNODCSNTPWMSG-UHFFFAOYSA-N 437.548 2.619 10 40 IFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br 408936389 FVSCFQMZVJDUFU-MDWZMJQESA-N 445.225 2.822 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccncc1 408952569 OIZKUYZCEIAJGS-VCHYOVAHSA-N 430.420 2.884 10 40 IFCB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 409229744 UNCSODSUEPBNPC-LDADJPATSA-N 449.554 2.814 10 40 IFCB COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@H](/N=N\c2cccc(C(=O)O)c2)C1=O 104272637 HPSURSFLVVBABK-OAFDPHIXSA-N 437.412 2.619 10 40 IFCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)N[C@@H](CO)Cc2ccccc2)C1=O 9429233 XYHPBMLNORTZQM-UEXNTNOUSA-N 442.562 2.616 10 40 IFCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)N[C@H](CO)Cc2ccccc2)C1=O 33588998 XYHPBMLNORTZQM-LSPINASFSA-N 442.562 2.616 10 40 IFCB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)CC2)cc1 8744363 PEORLULAYJQAFF-LJQANCHMSA-N 444.329 2.912 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1OC 8798785 VYLZNQQCTSUCIA-HXUWFJFHSA-N 433.574 2.667 10 40 IFCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)CC1 9157998 JFLPNYFEXGZASL-LDADJPATSA-N 426.454 2.989 10 40 IFCB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1-c1ccc(Cl)cc1 40050062 JBZGCAWIVAARRX-UHFFFAOYSA-N 428.832 2.799 10 40 IFCB COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@H](/N=N/c3ccc(C(=O)O)cc3)C2=O)c1 102946971 PBNIYUVSTZBQSO-SMIQVMJNSA-N 437.412 2.619 10 40 IFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 408950375 JMGSVORJFUEFSZ-LICLKQGHSA-N 446.375 2.781 10 40 IFCB CN1CCCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCOCC3)ccc21 13008335 YJTBQULORPAMPX-QHCPKHFHSA-N 447.535 2.979 10 40 IFCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 409079029 JSXRKCXKQAAWKA-WOJGMQOQSA-N 446.506 2.878 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 12363455 GPTBJNRVBLWBRQ-NTEUORMPSA-N 443.550 2.989 10 40 IFCB CCOc1c(I)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC 22135357 UBUJFPJRTOLTSH-KPKJPENVSA-N 446.266 2.805 10 40 IFCB CCOC(=O)Cn1c(C)c(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)c2ccccc21 8450556 XEGLHMYFCVTEEN-UHFFFAOYSA-N 427.526 2.892 10 40 IFCB COc1ccc(/C=C/C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(OC)c1OC 216931517 XLEPWFYFQVDCAL-XYOKQWHBSA-N 425.529 2.794 10 40 IFCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3=NCCS3)C2=O)cc1 8819573 KXRCHQABJZOYOO-KAMYIIQDSA-N 449.579 2.674 10 40 IFCB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007865 DUNXVZZTEDQQHA-XMMPIXPASA-N 434.584 2.947 10 40 IFCB COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 33728803 OHLRBOVGQSIREZ-CDCQXCROSA-N 430.844 2.750 10 40 IFCB Cc1ccc(N(C[C@@H](O)[C@@H](O)[C@H](O)CO)/N=N/c2ccc(Br)cc2)cc1C 33908593 SFBGWEUXXNRFNC-YRSDBSHPSA-N 438.322 2.646 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc([N+](=O)[O-])c1O 408851076 HKGDJYXLFMQCRM-OQLLNIDSSA-N 425.397 2.928 10 40 IFCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 408941826 PWBCTJVZSSMBSZ-KPKJPENVSA-N 431.198 2.519 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)C1=O 409225030 JJXHSEURMSCLLW-SFQUDFHCSA-N 447.447 2.879 10 40 IFCB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O 72311855 WUPJHUXWQBZKPZ-UHFFFAOYSA-N 431.451 2.941 10 40 IFCB COCCc1noc(Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)n1 1547139081 DXGMHZAWSSSFER-UHFFFAOYSA-N 447.447 2.850 10 40 IFCB biogenic CCN(CC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 16805695 WAMCOIGATVLFAM-KAMYIIQDSA-N 446.554 2.525 10 40 IFCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20528872 LLXNMPJWETZBRL-UHFFFAOYSA-N 442.472 2.529 10 40 IFCB CN(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 15831342 DCTGTICXFBUCKM-SFHVURJKSA-N 440.521 2.689 10 40 IFCB CCOc1c(Br)cc(Br)cc1C=C1C(=O)NC(=S)NC1=O 113857970 SGELOTYNQSSAPD-UHFFFAOYSA-N 434.109 2.525 10 40 IFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1I 14010995 UTCRDQXKBAVZJU-LCYFTJDESA-N 448.216 2.966 10 40 IFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2ccccc2Br)cc1 408761788 HPARHOPGUYGQNO-UHFFFAOYSA-N 431.267 2.583 10 40 IFCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 8952171 UODAHGZUSLOUFG-FDIDITGRSA-N 440.477 2.769 10 40 IFCB CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 28048199 SMSOKUWOZFTNFL-FOWTUZBSSA-N 436.555 3.000 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc([N+](=O)[O-])c1O 408896708 HMULNRULPCNNMR-OVCLIPMQSA-N 425.397 2.982 10 40 IFCB COc1cc(CN/C=C2/C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc(OC)c1 1884280 UBNYBAMYCZJHMT-RGEXLXHISA-N 429.542 2.811 10 40 IFCB COCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S 2250189 WUJQYRVIWFBRNQ-GDNBJRDFSA-N 432.571 2.918 10 40 IFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 8456889 XLOIOOQMHWXDSJ-BOPFTXTBSA-N 436.855 2.999 10 40 IFCB O=C1NC(=S)NC(=O)C1=CNc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 40476910 CGTNIEHYRIHEDY-UHFFFAOYSA-N 448.485 2.896 10 40 IFCB COc1ccc(N2CCN(Cn3ncc4c5cc(OC)ccc5n(C)c4c3=O)CC2)cc1 79486970 FXCKVWPUASNFBI-UHFFFAOYSA-N 433.512 2.685 10 40 IFCB CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O 220504110 PYJPQHXKOBAAKB-QFIPXVFZSA-N 445.585 2.897 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(Cl)c(OC)c(OC)c3)CC2)cc1 12606950 CPZJIZHJAFFGJP-UHFFFAOYSA-N 448.903 2.871 10 40 IFCB CO[C@H]1C=C[C@@](CNC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)(OC)O1 16992562 UOQXCKNMDRWCRU-OXQOHEQNSA-N 444.469 2.911 10 40 IFCB Cc1cccc(N2C(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)N=C2S)c1 102492577 UFTYODIOJCDJMM-AQTBWJFISA-N 447.520 2.948 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(-c4noc(C)n4)c3)CC2)cc1 8587189 YMMMPJPDCXDZPX-UHFFFAOYSA-N 444.513 2.573 10 40 IFCB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1C 13671145 QWAQKTFAHXRJBS-IBGZPJMESA-N 445.585 2.611 10 40 IFCB CCOc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O 13776516 CGCVFSLDFVRVBG-WJDWOHSUSA-N 436.536 2.886 10 40 IFCB O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCOCC1 11852319 ORTSPDFMZCHVFI-SDNWHVSQSA-N 441.372 2.899 10 40 IFCB CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2[N+](=O)[O-])CC1 12609864 HFRDYQWFZGWQJC-UHFFFAOYSA-N 439.516 2.602 10 40 IFCB CCN(CC)c1ccc([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c(O)c1 15306773 RURLWTDKIHDVIJ-XHOYROJHSA-N 437.496 2.532 10 40 IFCB O=C(CN1CCN(Cc2cc3c(cc2O)OCO3)CC1)Nc1ccccc1C(F)(F)F 20633794 NWDFHIGCHMNUHH-UHFFFAOYSA-N 437.418 2.896 10 40 IFCB Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 21887135 VHLAKIBRMJNUSG-HSZRJFAPSA-N 436.556 2.506 10 40 IFCB COc1cc(CN/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1 101031069 YBIKBWZZJLAYLU-UNOMPAQXSA-N 425.510 2.742 10 40 IFCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1O 408760995 BMHLOMXOLWDBBU-WDZFZDKYSA-N 432.239 2.502 10 40 IFCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H](C(C)=O)N21 8992150 WBQOBACKPZFYNV-WBADGQHESA-N 430.460 2.877 10 40 IFCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N[C@H](CO)Cc1ccccc1 33542549 PQEQHSLRRZCJDF-OGBKAESYSA-N 426.563 2.998 10 40 IFCB COc1ccc(OC)c(N2C[C@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2SCCC3)c1 2965896 ANMQFEYBCJIBQX-QFIPXVFZSA-N 431.534 2.892 10 40 IFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3OC(F)F)nnc2n1 3221439 FRAFKBDHTHXJIT-UHFFFAOYSA-N 438.464 2.715 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)NC4CCCC4)cc3)CC2)cc1 4092462 TYPPIJPVDZFTQR-UHFFFAOYSA-N 443.569 2.879 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)N3CCCCC3)ccc21 13007966 PMRSUVFBYXVOGY-OAQYLSRUSA-N 426.586 2.700 10 40 IFCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O 408548090 DFIDGIMLBSQCKH-OQLLNIDSSA-N 432.274 2.922 10 40 IFCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 9216076 QZYOQQIGDDMGQM-LPQHWFHQSA-N 448.591 2.651 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)O 409044299 BRCJXNCWEHHTFD-VGOFMYFVSA-N 444.827 2.787 10 40 IFCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 9429286 GHTARDKBWGMKLC-PWDRBQJJSA-N 448.566 2.770 10 40 IFCB COc1ccc(N2CCN(Cc3cccc(OCc4ccccn4)c3)[C@H](C(N)=O)C2)cc1 1848355730 KUKGAMUSALCENA-DEOSSOPVSA-N 432.524 2.845 10 40 IFCB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964070 YFSLGPINFBBLBX-HSZRJFAPSA-N 436.556 2.969 10 40 IFCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(S(N)(=O)=O)cc1 101077959 WETZHALPKONRSR-MHWRWJLKSA-N 435.303 2.815 10 40 IFCB CCCCN1C(=O)/C(=c2/s/c(=C3\Sc4ccccc4N3C)c(=O)n2C)SC1=S 3208411 DBSDGOICDHBAHK-JTFWXBGUSA-N 449.648 2.523 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H](C(C)=O)N21 8990428 OHJZXWILKAGHBT-LUKWVAJMSA-N 446.459 2.599 10 40 IFCB O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@H]1CSC[C@H]1O 36569718 LPTHVJWTDZMISO-JWHDQYKWSA-N 428.988 2.524 10 40 IFCB 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IFCB CN1C(=O)C(=Cc2ccc(-c3ccc(I)cc3)o2)C(=O)N(C)C1=O 96193582 DNINYSYNMAQVLR-UHFFFAOYSA-N 436.205 2.985 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 223668853 MUZXXESSFXCSPI-UHFFFAOYSA-N 436.553 2.601 10 40 IFCB COC(=O)c1c(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)sc2c1CCCC2 100296755 HXZLNKIJTFXNKN-RVDMUPIBSA-N 439.493 2.988 10 40 IFCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC#N 108116582 RMMQCDIMDFUIRK-GDNBJRDFSA-N 428.242 2.821 10 40 IFCB COc1ccc(OC)c(CNC(=O)C2=C3CCCN3c3ccc(F)cc3S2(=O)=O)c1 65239726 WKJZDZAUEBUERM-UHFFFAOYSA-N 432.473 2.758 10 40 IFCB CN1C(=O)/C(=C2\C(=O)N(CCCC(=O)O)c3ccc(Br)cc32)SC1=S 98086297 QMZIKRHHVMNNDU-OUKQBFOZSA-N 441.328 2.862 10 40 IFCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCOCC2)cc1 16914848 UJTVLHDLBVUGPX-DEOSSOPVSA-N 443.613 2.983 10 40 IFCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 59087215 YTQQSOLJOSJDRP-UHFFFAOYSA-N 438.553 2.529 10 40 IFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2F)C(=O)[C@@H]1/N=N\c1ccccc1[N+](=O)[O-] 104293445 UCSDHAYQLGLXSW-LINNUKDLSA-N 426.364 2.960 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408817798 UNTXEWGAWHPUSV-UHFFFAOYSA-N 431.788 2.585 10 40 IFCB CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)c2C)cc1 40050077 AFEQBPMWARTMDE-UHFFFAOYSA-N 438.440 2.545 10 40 IFCB COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 13008381 HXRJMWKCLOAFRZ-XMMPIXPASA-N 439.556 2.646 10 40 IFCB O=C(C1=CN(c2ccc3c(c2)OCCO3)c2cc(F)ccc2S1(=O)=O)N1CCCC1 48988627 MDAQXWWSYBWPIR-UHFFFAOYSA-N 430.457 2.986 10 40 IFCB N#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 108103063 LLVSDARROKEBAX-UVTDQMKNSA-N 445.216 2.655 10 40 IFCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c2ccccc21 408777908 LQAKYDDDAZSMAC-WOJGMQOQSA-N 433.489 2.954 10 40 IFCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 15162261 DFAXJBJKLHZUEF-QDUHJBTASA-N 447.560 2.864 10 40 IFCB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1NC(C)=O 225155905 UGNCUOQKLYUZRO-UHFFFAOYSA-N 448.614 2.597 10 40 IFCB COc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 2391777 LRDZTCOYTYNGCQ-CDDKBXLESA-N 428.554 2.990 10 40 IFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 35517166 HNYQPUTWUIDZRQ-OBTCNRAFSA-N 447.446 2.774 10 40 IFCB CCN(c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1)S(=O)(=O)CC 222393987 LHAOZYKYYGTXDK-UHFFFAOYSA-N 431.558 2.834 10 40 IFCB COc1ccccc1NN/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408526637 CTSOVADBKIPVBW-JLHYYAGUSA-N 445.273 2.850 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O 2121615 KSQHHPRHPDCIMM-MDWZMJQESA-N 433.283 2.995 10 40 IFCB Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1C 9471628 BFUZQRGFNYDNQW-OAQYLSRUSA-N 430.570 2.964 10 40 IFCB COc1cc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C(O)=NC2=S)cc(OC)c1OC 16195259 OXXOUGAFBZHNPE-FLIBITNWSA-N 433.398 2.885 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O 409015057 ACHZGZIRDXXFPR-RKPNYOAGSA-N 440.477 2.687 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 4330828 RQCPURVCMWGSLI-FQEVSTJZSA-N 425.489 2.553 10 40 IFCB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 19818502 QOTQRJOGFLZLJN-UXHICEINSA-N 439.468 2.599 10 40 IFCB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 224650984 HPXYKXJCWXERML-UHFFFAOYSA-N 431.558 2.622 10 40 IFCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408772373 OQTGBLWZTDYOOE-GZTJUZNOSA-N 428.828 2.948 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 408981196 ABKBIUJJUSSNMJ-XGICHPGQSA-N 431.788 2.937 10 40 IFCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O 996257 NDZRHNWGSPSTNC-PDGQHHTCSA-N 430.464 2.963 10 40 IFCB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S 33545850 FIXZKRLTXVRSCN-SZLZGVTBSA-N 428.535 2.785 10 40 IFCB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCCCC2)cc1 11907211 IDOFQPRNASJGTP-HXUWFJFHSA-N 431.558 2.987 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/[C@@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 9311419 IJALCABBFBHNFQ-UZNZLNSGSA-N 432.436 2.633 10 40 IFCB O=C(O)COc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 13844696 OQMKZZHDILHLQM-ZHZULCJRSA-N 437.521 2.938 10 40 IFCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 41077704 VRHIQNALUHEJDE-IAYHVCARSA-N 445.501 2.855 10 40 IFCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)c1 1241162 MAYIYURNZKLIGC-NTUHNPAUSA-N 428.397 2.933 10 40 IFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3nccs3)N3CCCCC3)ccc21 9165278 JVQYRPHNOJKRQY-LJQANCHMSA-N 427.574 2.807 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)N3CCOCC3)ccc21 22733233 BUACMHKMCCRJIK-QFIPXVFZSA-N 429.948 2.901 10 40 IFCB O=C(c1cc2ccccc2c(CN2CCN(c3ccccn3)CC2)c1O)N1CCOCC1 23908943 KFGMEIKCJWFKQS-UHFFFAOYSA-N 432.524 2.735 10 40 IFCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 2142092 KSUWOAIIHRDNQH-RERGGYADSA-N 440.477 2.769 10 40 IFCB COc1ccc(C2=NN(c3nc4ccccc4[nH]3)C(=O)/C2=C\NCCc2c[nH]cn2)cc1 9972296 ZIQTXIHWTUXICC-AQTBWJFISA-N 427.468 2.762 10 40 IFCB CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(N2CCN(C)[C@@H]([N+](=O)[O-])C2)cc1 19333433 WBENBUAPLJTUQS-OCBOALCKSA-N 449.467 2.546 10 40 IFCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N3CCOCC3)ccc21 22735651 BTBIRLFSJJJZSV-OAQYLSRUSA-N 435.977 2.684 10 40 IFCB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)c(O)c3)C2=O)cc1 33585306 LDOJWVGVLCLVLZ-WQRHYEAKSA-N 428.466 2.502 10 40 IFCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)C1 218564113 WQDINCUDQSHFAW-QZTJIDSGSA-N 436.622 2.619 10 40 IFCB C[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524322 GARYRYMBZGOEOO-FYSMJZIKSA-N 432.524 2.675 10 40 IFCB CN1CCN([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccc3c(c2)CCN3C)CC1 35597258 RMVLUPJKPRSZLO-OAQYLSRUSA-N 437.544 2.518 10 40 IFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1 16194192 GLHRGDMNQYLPDA-JYRVWZFOSA-N 445.225 2.608 10 40 IFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2ccccc2[nH]c1=O 41074185 LZFAPWLTVGOEMK-GDNBJRDFSA-N 438.237 2.957 10 40 IFCB C[C@H](C(=O)N(C)C[C@H](O)c1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S 54360689 GEYLAKDAPIRPEN-BWXURULUSA-N 432.523 2.767 10 40 IFCB CNc1nc([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1CNCC2 72372308 DGVHZGDYKHSYKX-QFIPXVFZSA-N 440.567 2.867 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCCC3)ccc21 13008055 JAVOVEDHQDIYTI-DEOSSOPVSA-N 434.584 2.681 10 40 IFCB CCn1cc([C@H]2CC(c3ccccc3O)=NN2c2ccc(S(N)(=O)=O)cc2)c(C)n1 95101254 GNORNHDHQBMRCL-HXUWFJFHSA-N 425.514 2.920 10 40 IFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)C2=O)cc1C 408535984 VBSKJVGENZISCD-NTEUORMPSA-N 425.357 2.699 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc(C(=O)O)c1 408939173 IBOCFMNZTPRXFX-UHFFFAOYSA-N 440.477 2.571 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)Cc3coc4cc(OC)ccc34)CC2)cc1 9634487 DTMYUYPPHIWQKX-UHFFFAOYSA-N 438.480 2.885 10 40 IFCB Cc1cccc(N2C(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)c1 100777044 UFTYODIOJCDJMM-QGOAFFKASA-N 447.520 2.537 10 40 IFCB O=C(O)[C@H]1CN[C@H](c2cc(Br)cc(I)c2O)S1 408977807 KBDKYNUZQLPECW-APPZFPTMSA-N 430.061 2.548 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)ccc1O 1776018 HBMGNBUJVFZDIY-LZYBPNLTSA-N 432.479 2.661 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1OC 13769119 IJZQZGQIULNHSW-PTNGSMBKSA-N 436.536 2.799 10 40 IFCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1C(=O)O 409044361 BOFHLCMBLFYLBS-ZROIWOOFSA-N 445.225 2.822 10 40 IFCB COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(C)C2=O)cc1OC 409340070 PZYRGOOKTNPNAQ-XGICHPGQSA-N 432.317 2.841 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1OC 1737804 GTSURNPUXVKVHJ-LFIBNONCSA-N 436.536 2.799 10 40 IFCB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 9220912 IINHNYNTTMHVRL-UHFFFAOYSA-N 442.541 2.846 10 40 IFCB CCc1nc(C)c(C(C)=O)c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 32905319 IMFXUFPSVFCPPY-UHFFFAOYSA-N 428.558 3.000 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c([N+](=O)[O-])cc1OC 408852539 HGPWGOGQFPEXAQ-YRNVUSSQSA-N 431.401 2.582 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3C(=O)O)C2=O)cc1 9041911 BTWYWKYSCGLNQL-LZYBPNLTSA-N 444.490 2.939 10 40 IFCB CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2cc(C)[nH]c2c1=O 57522028 PUODMCZLWHFYIF-UHFFFAOYSA-N 441.557 2.502 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1 113831208 ISCHAPLRQDRHDY-UHFFFAOYSA-N 431.242 2.786 10 40 IFCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)C1 260455486 WQDINCUDQSHFAW-ZWKOTPCHSA-N 436.622 2.619 10 40 IFCB CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O 8870102 FYMGBXJNHNLOPL-XANCVUMDSA-N 436.555 2.902 10 40 IFCB CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 13503867 UNSHMYGRQUWUSG-QFIPXVFZSA-N 449.559 2.995 10 40 IFCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1O 408817930 YVNSLSQVXZCLRD-MDWZMJQESA-N 433.283 2.995 10 40 IFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C1=O 9260097 NJHINKJXLCCGNM-RERGGYADSA-N 438.436 2.776 10 40 IFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409129863 VGYJAUGPBAOGHE-LFIBNONCSA-N 429.835 2.982 10 40 IFCB CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)c2cc(S(=O)(=O)N3CCOCC3)ccc21 207986633 MYVMCLOSEAIIRI-RCCKNPSSSA-N 441.553 2.681 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)OCC(=O)N3CCC(C)CC3)C2=O)cc1 34744727 DEDYBWLOMDYONF-GZTJUZNOSA-N 448.566 2.698 10 40 IFCB COc1ccc(N2CCN(c3ncc4c(=O)n(Cc5ccccn5)ccc4n3)CC2)cc1 39383829 YQKXWRYZUUZBRX-UHFFFAOYSA-N 428.496 2.570 10 40 IFCB COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 59417343 PWCCIQSPZFOMCZ-NTEUORMPSA-N 445.225 2.822 10 40 IFCB COc1ccc(N2CCN(c3cc(=O)n(-c4cccc(C(F)(F)F)c4)c(=O)[nH]3)CC2)cc1 16953955 GRNMJCHYDVMDCH-UHFFFAOYSA-N 446.429 2.880 10 40 IFCB Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 22735687 IQQGCRPTZRWFPU-HSZRJFAPSA-N 443.613 2.956 10 40 IFCB COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 33528475 RXQUBDXAGUBMLX-PDICVPPASA-N 445.815 2.650 10 40 IFCB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S 33545849 FIXZKRLTXVRSCN-AUUUKSDWSA-N 428.535 2.785 10 40 IFCB CCC(=O)c1ccc(OCC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 15224146 MVRHXCMGQPULHT-UHFFFAOYSA-N 440.496 2.559 10 40 IFCB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2nc3ccc(Cl)cc3s2)C1=O 408532298 QFOGAOXVMIJECQ-PKNBQFBNSA-N 428.857 3.537 10 40 IFCB NC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 107699003 YQLCCFDHOVQIIE-LZYBPNLTSA-N 438.896 2.611 10 40 IFCB COC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107732436 BNBOGBOYJKZOQU-KSSSLANASA-N 445.815 2.650 10 40 IFCB CCOc1cccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 408740693 LUPJFNZFTJOQGC-VGOFMYFVSA-N 443.437 2.539 10 40 IFCB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 409252028 BFZAOCRVAZRSKR-UHFFFAOYSA-N 429.885 2.580 10 40 IFCB CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)C(=O)O1 16605337 HXSZJSBQYUUHMK-UHFFFAOYSA-N 428.397 2.911 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CCOCC2)cc1 22998890 HCYLGCRQMFSCLV-FQEVSTJZSA-N 430.936 2.534 10 40 IFCB COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)c1 33526615 LHHWAPVWDFPZAP-LZYBPNLTSA-N 444.490 2.939 10 40 IFCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 8762269 XTFAYFGKFZCSCB-MPLHJFOVSA-N 427.463 2.518 10 40 IFCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1 13504346 KAMHOXMFCRPMFI-GOTSBHOMSA-N 434.544 2.772 10 40 IFCB CN(C)c1ccc(CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)cc1F 60919431 WZVSIRGBKAEXQD-UHFFFAOYSA-N 445.310 2.904 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Br)cc3)CC2)cc1 3555400 ZKEJMJJJFXIMQQ-UHFFFAOYSA-N 433.302 2.963 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 13800768 FGAVPIDHGNRKTC-RGEXLXHISA-N 445.479 2.626 10 40 IFCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C)c1 20507251 KVWWQZZAXNPJSB-HZPDHXFCSA-N 442.512 2.959 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OC(C)C 408919601 YUUATRRJXIRPID-IZZDOVSWSA-N 427.320 2.892 10 40 IFCB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(Br)cc(OC)c1O 28924180 HAXSNOVOOSICPL-GOSISDBHSA-N 434.290 2.500 10 40 IFCB O=C(COc1ccccc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)c(Cl)c1 408552589 KCGWOXKOKOQYFI-UHFFFAOYSA-N 434.235 2.760 10 40 IFCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Br 409394092 VNHHRRMIRZQYEQ-KPKJPENVSA-N 432.230 2.528 10 40 IFCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 2299474 FLKSVTVWDJVPKR-NBVRZTHBSA-N 430.507 2.757 10 40 IFCB COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 13008274 YJZBIXJCTVRDAZ-OAQYLSRUSA-N 439.556 2.890 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)CC2)cc1 13678298 QAFAVHLVLUSJBB-LJQANCHMSA-N 445.585 2.815 10 40 IFCB CN1C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)N(C)C1=S 59140110 KIIQYKDYXCFOMV-UHFFFAOYSA-N 432.505 2.879 10 40 IFCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1 408731082 KJPUJMGOBJAWKM-BARSGRSVSA-N 447.560 2.973 10 40 IFCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 409231937 GIBVKXULLPQZQS-RCCKNPSSSA-N 434.496 2.617 10 40 IFCB C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 59182364 VKHZKYNYTSIGGJ-OAHLLOKOSA-N 438.553 2.641 10 40 IFCB COc1ccc(N2CCN(C(=O)CCNC(=O)c3cc4c(OC)cccc4[nH]3)CC2)cc1 13732350 GKFYQLKSHLZMPD-UHFFFAOYSA-N 436.512 2.654 10 40 IFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409085190 YMVQQMSACFXSMO-UHFFFAOYSA-N 448.800 2.863 10 40 IFCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 6997495 OGLNSTUNDITOAD-XGICHPGQSA-N 432.186 2.547 10 40 IFCB COc1ccc(OC)c(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c1 8828412 SEBNRSDZAHJDOG-WJDWOHSUSA-N 436.536 2.799 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c([N+](=O)[O-])cc1OC 9310891 QYZIARDXJQGTSF-OVCLIPMQSA-N 425.397 2.895 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 13573022 NAOVRYAORFXMNO-PXNMLYILSA-N 432.479 2.537 10 40 IFCB COc1ccc(N2CCN(C(=O)CCn3nc(-c4ccc(F)cc4)ccc3=O)CC2)cc1 41252924 ZXAVNPMMXSSQTO-UHFFFAOYSA-N 436.487 2.797 10 40 IFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCc1ccc(S(N)(=O)=O)cc1 96602835 FXJXJQAGEWSITA-XMHGGMMESA-N 430.505 2.692 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O[C@@H](C)C(=O)O 409243973 ZXSBRMMZNAIUHM-MPMPPSQCSA-N 438.436 2.830 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1OC(F)F 12983232 KFKCVJSTCBFCSO-KAMYIIQDSA-N 430.498 2.830 10 40 IFCB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3ccc4c(c3)CCCN4C)cc2)[C@@H](C(N)=O)C1 19699236 XAELNEYRWDHURJ-RPWUZVMVSA-N 434.584 2.748 10 40 IFCB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998972 UGSLGCVWRGZXHX-NRFANRHFSA-N 444.963 2.843 10 40 IFCB CCNc1nc(NCC)n2c(SCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)nnc2n1 101757764 LWVHFLOBORNJGX-XCLFUZPHSA-N 432.598 2.902 10 40 IFCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)=O 108136041 LBXVRTZENWKUII-DHDCSXOGSA-N 431.242 2.844 10 40 IFCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 409023235 ZFMKGHGLVJZWEN-RQZCQDPDSA-N 437.452 2.785 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 9253200 HZWAEZPTVWLYNT-UEXNTNOUSA-N 442.562 2.616 10 40 IFCB O=c1c2cc(I)ccc2nc(/C=C/c2cccnc2)n1CCCO 28628490 XOJZYCUOWYGXKC-QPJJXVBHSA-N 433.249 2.949 10 40 IFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 9060470 GQWWXNCOWDPSEK-HKWRFOASSA-N 427.530 2.781 10 40 IFCB COc1ccc(Oc2c(C)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1 20439676 DBDXXVMKHMWYDX-UHFFFAOYSA-N 440.496 2.718 10 40 IFCB biogenic COc1ccc(N2CCN(C(=O)[C@@H](CCSC)Nc3nc(C)cc(C)n3)CC2)cc1 95477821 RDWQDOKHLVACIT-HXUWFJFHSA-N 429.590 2.984 10 40 IFCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1 13504347 KAMHOXMFCRPMFI-XZOQPEGZSA-N 434.544 2.772 10 40 IFCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(C(=O)O)o1 33700564 LJIACBXUVMHCQU-VIZOYTHASA-N 449.462 2.851 10 40 IFCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)NC1=S 409136347 SNMXEMVBAGDLJT-FOWTUZBSSA-N 425.485 2.802 10 40 IFCB COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1O 59104512 VHFRTKIKROTJPP-LFYBBSHMSA-N 427.325 2.544 10 40 IFCB Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c1 409128144 IPEYELQCGIXBBY-LDADJPATSA-N 440.525 2.693 10 40 IFCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(SCc4ccco4)o3)C(=N)N21 20239043 ISMDKVMBPKLOBX-JPEQSOJWSA-N 436.496 2.786 10 40 IFCB CN1CCN([C@H](CNS(=O)(=O)c2cccc(Cl)c2)c2ccc(N(C)C)cc2)CC1 23080630 ZRUQRGRQCWHFGK-OAQYLSRUSA-N 437.009 2.673 10 40 IFCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964210 RFNMCYJMZPHYQQ-HSZRJFAPSA-N 449.555 2.529 10 40 IFCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 32189242 DLEBRQIIQQLCHU-YRNVUSSQSA-N 434.832 2.774 10 40 IFCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 408800045 JQGJGVXACTXBCM-SFQUDFHCSA-N 438.436 2.937 10 40 IFCB O=C(CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NCCc1ccc(O)cc1 9348480 JOHZEMUKWZVBFV-ZDLGFXPLSA-N 442.518 2.681 10 40 IFCB CN(C)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)cc1 9454570 GVFCFIYLIWALIP-LJQANCHMSA-N 440.521 2.689 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)O 408859139 WTHAZKIYENQURZ-LICLKQGHSA-N 438.436 2.832 10 40 IFCB COc1ccc(N2CCN(C(=O)CCn3cnc4c([nH]c5ccc(F)cc54)c3=O)CC2)cc1 14001284 ZBOLROOZFDQFLN-UHFFFAOYSA-N 449.486 2.764 10 40 IFCB CCOc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@H](C)C(=O)O)C(=O)NC2=S)c1 409194140 NHEYRMKTSQWDRH-VVBXCHJUSA-N 440.477 2.769 10 40 IFCB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(N2CCOCC2)cc1 9731020 OSVXXEDZSGDMJU-UHFFFAOYSA-N 440.935 2.828 10 40 IFCB CC(=O)NCCc1c(/C=C2\C(=O)N=C(O)N(Cc3ccccc3)C2=O)[nH]c2ccccc12 13748138 INBMXMMAYFCFMA-CPNJWEJPSA-N 430.464 2.713 10 40 IFCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H](C(C)=O)N21 101487277 WBQOBACKPZFYNV-MYDTUXCISA-N 430.460 2.877 10 40 IFCB CC(C)OC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)O[C@@H](OC(=O)C(C)(C)C)c1ccccc1 1772598619 QQIBFRQTTLIECS-PKOBYXMFSA-N 447.488 2.971 10 40 IFCB COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 409177204 DKMDDGRMVUVOJG-WJDWOHSUSA-N 428.491 2.785 10 40 IFCB Cc1cccc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 113956056 WUQLHUGQZPHSCF-UHFFFAOYSA-N 445.585 2.694 10 40 IFCB CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(OC)cc2)CC1 57671350 BCQSDTJMYSQHCQ-HXUWFJFHSA-N 436.516 2.732 10 40 IFCB COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 59842290 CTEKAJMKNRMRCR-UHFFFAOYSA-N 430.935 2.708 10 40 IFCB COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 108119345 LEVHFROYTXEWMU-KPENOIPVSA-N 430.844 2.750 10 40 IFCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/Nc1nnc(-c2ccccc2)s1 408528198 HCGQVNGBXJDQEV-ZRDIBKRKSA-N 425.857 3.437 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCCC2)cc1 5340655 VNVTYFWYPCNWHB-OAQYLSRUSA-N 428.964 2.976 10 40 IFCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 9420793 OHALLGVKXKISKJ-RCEBRVLHSA-N 438.527 2.783 10 40 IFCB Cc1c/c(=N\C(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c2ccccc2[nH]1 13008699 RSUDSOLCLVRZFA-XMMPIXPASA-N 445.567 2.705 10 40 IFCB Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1 409256025 NLVLSQFMYSMRCN-UHFFFAOYSA-N 443.912 2.889 10 40 IFCB Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1C 409262802 HLKOWOMCGCJOKX-UHFFFAOYSA-N 427.844 2.724 10 40 IFCB COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3C(=O)O)C2=O)c1 13575779 YRFIYHRWZGMVNG-LZYBPNLTSA-N 444.490 2.939 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 59139498 BRWZFRKZTHMFQF-UHFFFAOYSA-N 440.477 2.602 10 40 IFCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccccc1 409081712 QHRPUAGMPXEBAT-GZTJUZNOSA-N 432.479 2.569 10 40 IFCB COc1ccc(-c2noc(-c3cccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)c3)n2)cc1 9061045 PPXAWWPQHLCLBR-UHFFFAOYSA-N 433.424 2.758 10 40 IFCB CCN(C(=O)/C=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@@H]1CCS(=O)(=O)C1 32718967 OLXCQNNBTNRTRL-MTCRFPMVSA-N 430.526 2.872 10 40 IFCB CCOC(=O)COc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 33705917 NTZNHRFVRYLXSK-MHWRWJLKSA-N 430.844 2.752 10 40 IFCB CC(=O)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 110215946 HULJPVZIDXBHMW-ZSOIEALJSA-N 446.213 2.744 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409237547 VFCOJQSSJSTZHR-DEDYPNTBSA-N 435.480 2.815 10 40 IFCB COc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C1=O 1066717 OVSQLJJBIKHKMQ-YRNVUSSQSA-N 447.241 2.838 10 40 IFCB CCc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9459774 PPPXTSVBRUKTAA-OAQYLSRUSA-N 430.570 2.910 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 9429984 PRGBCEQQGOVCIF-PXNMLYILSA-N 448.547 2.702 10 40 IFCB COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc(OC)c1OC 12562259 LCVIWWHFWPQXPO-GDNBJRDFSA-N 445.522 2.947 10 40 IFCB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3nc4ccccc4s3)CC2)cc1 72404966 GTOKHWMPQBJGGY-UHFFFAOYSA-N 425.514 2.775 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408914483 PZXMRTCCOWVNKI-MHWRWJLKSA-N 441.465 2.829 10 40 IFCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC[C@@H]4CO)c4ccccc34)[C@H]21 1616044652 NGKWAHCKXCOWQH-NSYGIPOTSA-N 444.535 2.772 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)O 2815948 VYFPHMFAAXSXCZ-KWJWQAOWSA-N 444.440 2.518 10 40 IFCB C[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)NCCc1ccccc1 36874303 HSULIWIKLQBHMD-OAHLLOKOSA-N 442.471 2.948 10 40 IFCB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 23424973 LWLKZVSSPZAQQV-UHFFFAOYSA-N 432.542 2.925 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CCOCC3)ccc21 22733399 RRVDVIXDJURBSZ-KRWDZBQOSA-N 434.334 2.838 10 40 IFCB CN1CCN([C@@H](CNC(=O)COc2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 22734878 GIDWJTJNSPLATA-QHCPKHFHSA-N 440.563 2.692 10 40 IFCB COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)OCO2 408961275 MCOFSGXFNPRENA-AWNIVKPZSA-N 445.225 2.853 10 40 IFCB COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)CC2)cc1 20456916 MJSZORXAGNABCC-UHFFFAOYSA-N 443.569 2.583 10 40 IFCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 409187323 OXZGQYRPVVHUAV-LFIBNONCSA-N 442.468 2.987 10 40 IFCB C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1cccc2c1C(=O)c1ccccc1C2=O 12139588 CDEJQZVZAKZQOT-QRWLVFNGSA-N 429.544 2.856 10 40 IFCB COc1ccccc1/C=C1/SC(=O)N(CC(=O)NCCc2ccc(O)c(O)c2)C1=O 33586023 ZDLXKELDIXTNCF-WOJGMQOQSA-N 428.466 2.502 10 40 IFCB CN1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)ccc2O)N3)C1 2234276 MMGBCZKOKDLEAA-AWEZNQCLSA-N 441.294 2.900 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@@H](C)Sc3nc(Cl)nc4nc[nH]c34)CC2)cc1 9421247 QOXUHCSXNFTIRP-GFCCVEGCSA-N 432.937 2.844 10 40 IFCB CCCOc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O 18996973 VHZNBKNEZPOYFL-UHFFFAOYSA-N 432.068 2.750 10 40 IFCB Nc1c(N2CCN(CCO)CC2)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O 20572527 WMDXZCSUHLQDFC-UHFFFAOYSA-N 442.519 2.902 10 40 IFCB O=C(c1cccc(NCc2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1)N1CCC[C@H]1CO 97165692 UIPFWDOXTFNIKZ-KRWDZBQOSA-N 425.489 2.799 10 40 IFCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)C1 218327645 UDOOSWPQAJKKDS-IAGOWNOFSA-N 441.553 2.945 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 409015056 ACHZGZIRDXXFPR-BVTUPMQUSA-N 440.477 2.687 10 40 IFCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc(Br)c1O 409208418 BOTSWQLJUSODEJ-WDZFZDKYSA-N 432.317 2.928 10 40 IFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCOCC1 408533681 OTJMEHPFGQVZEY-VBKFSLOCSA-N 436.447 2.963 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)c(OC)c3)C2=O)cc1 409009625 HADLZXDWNGRNAK-VVBXCHJUSA-N 438.436 2.776 10 40 IFCB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 16344636 UDBKETLHIIEZLC-UHFFFAOYSA-N 444.431 2.646 10 40 IFCB O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c1 106692863 YVVWCAJESZXCNL-BOPFTXTBSA-N 442.449 2.540 10 40 IFCB Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 22788705 KHYFVDXJKFUWAH-UHFFFAOYSA-N 446.954 2.966 10 40 IFCB CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)CC1 955363 BSVVBZNCMRQDLP-PDGQHHTCSA-N 426.454 2.989 10 40 IFCB COC(=O)[C@@H](C)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1810180 JPUYGFXNOGLBDL-GQCZFKNTSA-N 427.301 2.534 10 40 IFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)c1 59679753 HTJGUGHRMRJHHS-VBEHJTROSA-N 440.477 2.769 10 40 IFCB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1 22734860 QIKBMDFEODDPLQ-DEOSSOPVSA-N 436.600 2.861 10 40 IFCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)CC1 219266908 FVQSHRSLAHGLTC-QUCCMNQESA-N 436.622 2.619 10 40 IFCB CCN(CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(OC)cc1 225091959 LHYFAHGEFJKAIL-UHFFFAOYSA-N 445.541 2.544 10 40 IFCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408867244 KPVHFMCMLJPHLY-QNGOZBTKSA-N 434.492 2.727 10 40 IFCB Cc1ccccc1N1C(=O)C(=CNN2CCOCC2)C(=O)N(c2ccccc2C)C1=S 1303325 YJOODJXVBBLVEW-UHFFFAOYSA-N 436.537 2.689 10 40 IFCB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 3196542 LTLVTBHLMZFTJT-PAKSIRSJSA-N 430.301 2.968 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3cc(Br)ccc3OC)CC2)cc1 8674585 ZWNRMQZHNZBRCC-UHFFFAOYSA-N 441.347 2.977 10 40 IFCB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998992 KEXLTTAASPENSF-NRFANRHFSA-N 444.963 2.843 10 40 IFCB COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)CC2)cc1 8825175 FDQXPGKUWSFHRR-UHFFFAOYSA-N 446.529 2.715 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)C(=O)NC2=S)c(OC)c1 409071385 NZWUJNCFRMEVEM-GXDHUFHOSA-N 428.466 2.552 10 40 IFCB COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 409339921 ZXBVUYOBCSKRRB-ZROIWOOFSA-N 434.520 2.846 10 40 IFCB COc1ccc(N2CCN(c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])CC2)cc1 9714014 URYMCFCFTBQNDE-UHFFFAOYSA-N 446.529 2.715 10 40 IFCB CCCCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(C(C)=O)c3ccccc32)SC1=S 2088020 SDOWJAPIGWNAEZ-MSUUIHNZSA-N 432.523 2.885 10 40 IFCB COc1ccc(N2CCN(C(=O)CN3C(=O)/C(=C\c4ccco4)SC3=S)CC2)cc1 9423609 SEUMMKNMUSIQHF-QGOAFFKASA-N 443.550 2.838 10 40 IFCB COCCN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)C(=O)N(c2ccccc2)C1=O 9846993 NFXUOYIOFGEQNP-UYRXBGFRSA-N 447.447 2.751 10 40 IFCB O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)cc1 10113465 AUMUJJKXEICINH-UHFFFAOYSA-N 425.348 2.905 10 40 IFCB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)ccc1OC 260572604 IBFIVSSAJWQTMX-INIZCTEOSA-N 431.558 2.770 10 40 IFCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409214201 RNTVRYOWVQKTDF-GPLLRDDGSA-N 449.485 2.809 10 40 IFCB CN1C(=O)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N(C)C1=S 59139152 ZIDHBSLIOSKFBG-UHFFFAOYSA-N 434.109 2.516 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S 33542713 PAZYIKIZGQXBRD-GIJQJNRQSA-N 442.518 2.640 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 408981364 AWWJRVYIOOJFBV-DHDCSXOGSA-N 425.397 2.841 10 40 IFCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 2297551 VGDIMZHWPNHCFN-JXAWBTAJSA-N 430.507 2.757 10 40 IFCB CO[C@@H]1C=C[C@](CNC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)O)(OC)O1 15218358 VEMFSXVFGJTWFP-FELMUUKHSA-N 435.476 2.612 10 40 IFCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1 103918145 DJXGJICRPVXKBY-PGMHBOJBSA-N 426.542 2.943 10 40 IFCB Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)nc1 9013492 OCHHTFWFRKTVHQ-WOJGMQOQSA-N 440.525 2.693 10 40 IFCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 9259406 IIEXKAZWURRLGX-BOPFTXTBSA-N 428.441 2.599 10 40 IFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C1=O 9260100 NJHINKJXLCCGNM-YYTPVVGHSA-N 438.436 2.776 10 40 IFCB CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 1201090 KZLJADSNTOMPBM-BOPFTXTBSA-N 438.436 2.612 10 40 IFCB CCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 1244385 YSSAYHGMSOUBID-LKKYZFDUSA-N 430.555 2.897 10 40 IFCB CCN(CCO)c1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 9461962 OVRNYYWIUBDLND-DTQAZKPQSA-N 444.944 2.902 10 40 IFCB COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)C(=O)NC1=S 9933814 BPTMBNHBNXVAIA-DHZHZOJOSA-N 433.283 2.995 10 40 IFCB CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)c2ccccc21 9972497 KOJUUXYVSRGNLL-ZCXUNETKSA-N 438.486 2.983 10 40 IFCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 2142096 KSUWOAIIHRDNQH-YYTPVVGHSA-N 440.477 2.769 10 40 IFCB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)s1 224573721 JPQAFFSTIDIZOP-CQSZACIVSA-N 437.591 2.847 10 40 IFCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 409188895 BTDQOIAYCFDYMD-FOWTUZBSSA-N 425.466 2.799 10 40 IFCB CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409401393 XXHXJRZWLSVANA-WJDWOHSUSA-N 445.269 2.852 10 40 IFCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3[nH]c4ccccc4c3CCNC(C)=O)C2=O)c1 9358655 OGECLJSSCYJHDS-UYRXBGFRSA-N 446.463 2.522 10 40 IFCB biogenic COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@H](/N=N\c3ccc(C(=O)O)cc3)C2=O)c1 104315469 PBNIYUVSTZBQSO-OAFDPHIXSA-N 437.412 2.619 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 9310488 ULBQPOVYDRZSEB-UVTDQMKNSA-N 426.425 2.778 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(F)cc1 9434566 WGLIIGFNTHSRRE-UHFFFAOYSA-N 449.232 2.925 10 40 IFCB CCc1cc(=O)n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(-c2ccccc2)n1 57527340 BFGZKVCQBDTZAD-UHFFFAOYSA-N 432.524 2.830 10 40 IFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 408903385 SHKLSFVSKAFBKG-NTEUORMPSA-N 429.226 2.887 10 40 IFCB Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409066663 BDXYJBNTJISCQV-MOSHPQCFSA-N 438.459 2.502 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 2914973 LBXQHDOQIYRRTC-SDQBBNPISA-N 433.829 2.794 10 40 IFCB CCOC(=O)c1cc(C(=O)OCC)cc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)c1 20507201 CLLAEYLNZBEXAK-UHFFFAOYSA-N 442.512 2.962 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409240662 UVKLZNBSMBLDCU-GIJQJNRQSA-N 430.420 2.884 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 409393868 STTSNYZSOZKZDA-XDHOZWIPSA-N 430.420 2.854 10 40 IFCB COc1ccc(N2CCN(C(=O)CCNC(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 12322467 UKVBNZUCPABZGO-UHFFFAOYSA-N 436.512 2.654 10 40 IFCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33655127 QFRKVMRQQKKBKV-ZSOIEALJSA-N 445.815 2.652 10 40 IFCB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 225087194 QXSLGIKJEAXDBO-UHFFFAOYSA-N 427.526 2.809 10 40 IFCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 409200613 IPVFGWKTKUZCQK-IZILLXMLSA-N 429.542 2.927 10 40 IFCB CC(=O)c1cccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 13673495 BACRCWALCPIPKA-UHFFFAOYSA-N 429.542 2.572 10 40 IFCB C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 59182367 VKHZKYNYTSIGGJ-HNNXBMFYSA-N 438.553 2.641 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 409233621 LJQJSNPXPSAUGU-DEDYPNTBSA-N 435.480 2.815 10 40 IFCB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 9459215 SOHDLQURRSVBNB-NRFANRHFSA-N 430.570 2.964 10 40 IFCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N[C@H](CO)Cc1ccccc1 33545881 JCCRNZKOKSFVEN-HZGBGQKMSA-N 430.551 2.981 10 40 IFCB COC(=O)c1cc(N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1Cl 408533720 OWKMTFMGYPSHCC-GDNBJRDFSA-N 429.816 2.714 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCCC2)cc1 5340989 CDOOYWMIYPBRRC-OAQYLSRUSA-N 428.964 2.976 10 40 IFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409068317 RVZZTAPJTFRLJU-UHFFFAOYSA-N 446.868 2.540 10 40 IFCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)S2)cc1 8821914 IMYGQBJZQXITAI-ZCXUNETKSA-N 436.449 2.529 10 40 IFCB Cn1c(-c2ccccc2)cnc1SCC(=O)NC(=O)NC[C@@H]1COc2ccccc2O1 9224055 OEHJESFWYZHILZ-MRXNPFEDSA-N 438.509 2.845 10 40 IFCB COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 13008384 HXRJMWKCLOAFRZ-DEOSSOPVSA-N 439.556 2.646 10 40 IFCB CCCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 16733302 RBVISQAJZOKMHR-SSZFMOIBSA-N 444.582 2.841 10 40 IFCB COc1ccc2c(c1)C=C[C@H]1[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 101482255 MPGMMJMMBUVGGF-VXSCBNMQSA-N 447.447 2.891 10 40 IFCB COCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2668510 OUYHVIFXYKOPNB-SQFISAMPSA-N 430.555 2.532 10 40 IFCB COc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 13645925 JOSTVRFWAJCIJW-UHFFFAOYSA-N 431.558 2.768 10 40 IFCB CN1C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)C(=O)N(C)C1=O 2441554 RVOGLIPHDGMFCT-UHFFFAOYSA-N 430.464 2.574 10 40 IFCB CO[C@@H]1C=C[C@@](CNC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)(OC)O1 16992565 UOQXCKNMDRWCRU-OXJNMPFZSA-N 444.469 2.911 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 59417991 NNNTWTNPSPIHMW-UHFFFAOYSA-N 425.397 2.616 10 40 IFCB C[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCOCC2)cc1 225838549 BHYPVIHMFKBKAN-MRXNPFEDSA-N 448.614 2.967 10 40 IFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1Cl 408986543 MVYGVTYLXLOXKS-UUILKARUSA-N 429.772 2.952 10 40 IFCB CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C(=O)N(C)C1=S 1139755 AMIPPGBLBFPIAP-UHFFFAOYSA-N 443.912 2.956 10 40 IFCB COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccc(C)c(C)c4)ccc3=O)CC2)cc1 57427514 JDPLRAMYOLKOIV-UHFFFAOYSA-N 432.524 2.885 10 40 IFCB O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 9361127 ASCOOZLJPGLHSL-UHFFFAOYSA-N 444.443 2.525 10 40 IFCB CN(C)c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 13504432 OYULYBKSPSUNBB-DNQXCXABSA-N 447.587 2.830 10 40 IFCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1Cl 22998986 ZHEHSTRKTRWLIW-OAQYLSRUSA-N 444.963 2.843 10 40 IFCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 2299475 FLKSVTVWDJVPKR-JXAWBTAJSA-N 430.507 2.757 10 40 IFCB Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 10113433 SGJCGAWLCKYXRW-IBGZPJMESA-N 445.585 2.611 10 40 IFCB CCCCN1C(=O)/C(=C/Cc2c(NCCOC)nc3ccccn3c2=O)SC1=S 26841477 ROUFVRTVBAONAP-DHDCSXOGSA-N 432.571 2.840 10 40 IFCB COc1ccc(-c2nnc(N/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)s2)cc1 408529120 IIBQHNMLINXMQU-LFIBNONCSA-N 449.492 3.409 10 40 IFCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)N1CCOCC1 408574346 LYEIWABWJYKQKY-BOPFTXTBSA-N 436.555 2.542 10 40 IFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)C1=O 409246290 AMGWPMZIOCBVLK-HKJJFUAXSA-N 438.436 2.776 10 40 IFCB CCCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946013 NWFXNGNQVBGWPK-NRFANRHFSA-N 442.560 2.574 10 40 IFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3[N+](=O)[O-])c2C)C(=O)NC1=S 409391236 IEZMRKDWLPPINC-OQLLNIDSSA-N 428.470 2.658 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)N3CCCCC3)ccc21 13007848 AHJNZCIRNRPAJO-HSZRJFAPSA-N 446.551 2.618 10 40 IFCB CS(=O)(=O)Oc1cccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1 41076242 VUZQEGCQWBUOIX-ALGNWURXSA-N 440.506 2.887 10 40 IFCB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1 408656577 FRQRPYWGFUAEAX-QHAWAJNXSA-N 432.476 2.731 10 40 IFCB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 2432701 SDCUKTCFDLOLLH-OXJNMPFZSA-N 434.533 2.875 10 40 IFCB COC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O 17242074 VORJRBHBUNEJNF-LFIBNONCSA-N 435.461 2.794 10 40 IFCB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)cn2)cc1 13809127 ZGYWZRVKTMLBSK-UHFFFAOYSA-N 448.523 2.666 10 40 IFCB Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 263599411 IWOSIGNANKUKIQ-UHFFFAOYSA-N 439.427 2.742 10 40 IFCB O=C(OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1)N1CCCC1 1667384354 MPZICDPYXSJWMX-NRFANRHFSA-N 430.549 2.820 10 40 IFCB O=C(C1=CN(c2ccc3c(c2)CCC3)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 49004022 FAQAKDXQFCHMEW-UHFFFAOYSA-N 428.485 2.940 10 40 IFCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCC 59139785 PMZZUOPZMYXHMU-UHFFFAOYSA-N 427.320 2.845 10 40 IFCB COC(=O)CN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)SC1=S 409211414 NDIIDWCBPPPRFC-XGICHPGQSA-N 432.317 2.841 10 40 IFCB COc1ccc(N2CCN(C(=O)CN(c3ccccc3C(C)C)S(C)(=O)=O)CC2)cc1 22388488 ODYJYSNAHOHKSY-UHFFFAOYSA-N 445.585 2.933 10 40 IFCB CN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 28048197 VDAIXBXCKODZAH-SEYXRHQNSA-N 441.328 2.862 10 40 IFCB CCCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC 96193616 KMAFHOLNEVWIIT-UHFFFAOYSA-N 427.320 2.941 10 40 IFCB CCn1nc(C)c(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 408755263 CJMRHXKQWNKKOF-NTEUORMPSA-N 432.278 2.861 10 40 IFCB CCOc1cccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)c1 409194138 NHEYRMKTSQWDRH-HNEYUBDGSA-N 440.477 2.769 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc([N+](=O)[O-])c1O 409216538 JCXOPVGENWKPSA-IZZDOVSWSA-N 431.788 2.937 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1 9246223 SJSUJFOIYKFDJG-UHFFFAOYSA-N 430.844 2.864 10 40 IFCB CCN(CCO)c1ccc(N/C=C2\C(=O)N=C(S)N(c3ccccc3F)C2=O)cc1 9312880 MLLPXZJKJMRAEO-DTQAZKPQSA-N 428.489 2.799 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC(=O)O 408908825 DIVDRPKPUQFGLD-WLRTZDKTSA-N 448.790 2.618 10 40 IFCB CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 1251705498 PISCRHFECMPTFH-UHFFFAOYSA-N 430.936 2.558 10 40 IFCB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccc3c(c2)CCN3C)CC1 22735811 HMOSTTGCHSKSEY-QFIPXVFZSA-N 449.020 2.599 10 40 IFCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408722866 NYRLZJMVOIOGIB-LFYBBSHMSA-N 448.800 2.693 10 40 IFCB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 44841758 MZNVLZQBVYNVMR-UHFFFAOYSA-N 430.574 2.850 10 40 IFCB O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)C(=O)N1 409066888 CZSKRCJADVPIAF-UHFFFAOYSA-N 441.248 2.511 10 40 IFCB CCOc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)C(=O)NC2=S)cc1 8400747 HRUPYIXJNYIOQT-NVNXTCNLSA-N 426.450 2.654 10 40 IFCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccccc1 13574262 MASKBSGRIZLZIK-YERBQUFUSA-N 427.511 2.715 10 40 IFCB COc1ccc(N(C)CCC(=O)N2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)cc1 257231888 GIPHDZCLRHUHKS-HSZRJFAPSA-N 435.528 2.917 10 40 IFCB COC(=O)[C@@H](C)N1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 1810188 PTBXEZGUFVHQDJ-ZCCYMHNXSA-N 441.328 2.558 10 40 IFCB C[C@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1cccc2c1C(=O)c1ccccc1C2=O 12139586 CDEJQZVZAKZQOT-YWZLYKJASA-N 429.544 2.856 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 225715067 NNNZJICNLSJPHM-UHFFFAOYSA-N 433.574 2.932 10 40 IFCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 2403476 IXNLPDZVWWAHSN-YVLHZVERSA-N 437.452 2.785 10 40 IFCB Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccccc1 3460675 WBQVUAINTSMJRA-UHFFFAOYSA-N 435.480 2.829 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NN3CCCC[C@H]3c3cccnc3)C2=O)cc1 9335085 MEJTZRSTFHVSQT-ZAQQZEBGSA-N 435.484 2.679 10 40 IFCB COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1OC 23858778 UMCBKHSLEAQRAX-QFIPXVFZSA-N 439.556 2.890 10 40 IFCB CCCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946015 NWFXNGNQVBGWPK-OAQYLSRUSA-N 442.560 2.574 10 40 IFCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccc(Br)cc2)c1 408812555 SRGQJVZDVBEYJA-UHFFFAOYSA-N 431.242 2.786 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 13569409 MPGMMJMMBUVGGF-YJMBLLCNSA-N 447.447 2.891 10 40 IFCB CN1CCN([C@H](CNC(=O)c2ccc(Br)o2)c2ccc3c(c2)CCN3C)CC1 22733716 UPSPHFSPUSYKQM-GOSISDBHSA-N 447.377 2.753 10 40 IFCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(I)c2)SC1=S 109044832 UNZUMGAVMBQQMZ-WDZFZDKYSA-N 449.291 2.976 10 40 IFCB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCCC2)cc1 13670822 KPSPPDUFZIFJMS-UHFFFAOYSA-N 443.569 2.546 10 40 IFCB Cc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22734866 PEQQOXIKICUXRQ-VWLOTQADSA-N 436.600 2.861 10 40 IFCB Cc1c(/C=C2\NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C 10035225 OFIXAFOYVYTMQK-YVLHZVERSA-N 432.436 2.747 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)CC2)cc1 224278355 NBPCVBWANZRGRM-UHFFFAOYSA-N 441.553 2.505 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3c[nH]cn3)C2=O)cc1 33543458 GCTTUJZYYFSUNX-BOPFTXTBSA-N 430.555 2.759 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 224143941 WYIYBNUMAVIWDZ-UHFFFAOYSA-N 447.557 2.734 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc(OC)c1OC 2258584 JANRLYAJWVCNFU-CXUHLZMHSA-N 446.506 2.964 10 40 IFCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 100422863 YDFXIKBOHKQAMI-PDGQHHTCSA-N 441.538 2.730 10 40 IFCB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 408887759 TUMPTEMNLZQDHJ-YBEGLDIGSA-N 434.520 2.902 10 40 IFCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9672687 JYWMYCZHEAKIMR-UHFFFAOYSA-N 445.570 2.722 10 40 IFCB COCCN1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C(=O)N(c2ccccc2)C1=O 9265117 NFXUOYIOFGEQNP-CPNJWEJPSA-N 447.447 2.751 10 40 IFCB Cc1cc(=O)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1F 10907666 NUJLXSYHZQKBEC-UHFFFAOYSA-N 436.487 2.789 10 40 IFCB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 19932270 XQCGOGUSOXISBL-UHFFFAOYSA-N 448.564 2.745 10 40 IFCB COc1ccc(N2CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC2)cc1 56997540 VAOPDNIDNIXHGX-UHFFFAOYSA-N 425.554 2.949 10 40 IFCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC 107939615 ZXIBYZOVHCIFDB-WUXMJOGZSA-N 435.230 2.721 10 40 IFCB CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(N)=O 409218596 VYJMNWQVYNXRPQ-YVLHZVERSA-N 431.539 2.905 10 40 IFCB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1OCC(N)=O 33763387 MOCUEUGPGJDDEE-RIYZIHGNSA-N 429.816 2.719 10 40 IFCB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 27471477 SEPDHYGKKIBZKL-UHFFFAOYSA-N 434.473 2.965 10 40 IFCB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=C2C(=O)NC(=O)NC2=O)cc1 408885965 BZPKCPNBJXTNEG-UHFFFAOYSA-N 436.445 2.665 10 40 IFCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 10188281 OIMFHTLCAYAOPG-JOCHJYFZSA-N 437.544 2.603 10 40 IFCB CCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2276450 VZJDABYYHGADCR-KAMYIIQDSA-N 432.596 2.777 10 40 IFCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] 9540334 BWPYRIKXZDXVEF-SECBINFHSA-N 425.488 2.689 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409131174 MHSBYUOKRPCFOY-QGOAFFKASA-N 439.443 2.727 10 40 IFCB CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220517910 GRACYKMKJJKANS-QFIPXVFZSA-N 445.585 2.693 10 40 IFCB COc1ccc(N2CCN(C(=O)c3cn(C)cc4c(=O)n(-c5ccccc5)nc3-4)CC2)cc1 9574127 VMGLERGLZZQJAH-UHFFFAOYSA-N 443.507 2.647 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 20025315 GGOIWHVMLVAWGB-JWGURIENSA-N 448.523 2.806 10 40 IFCB C[C@@H](C(=O)N(C)C[C@H](O)c1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S 54360688 GEYLAKDAPIRPEN-LMUPFVOZSA-N 432.523 2.767 10 40 IFCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(C)=O 408761653 KKMGEHCEUJUNDC-BOPFTXTBSA-N 440.477 2.851 10 40 IFCB CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCC(=O)OC 409339846 LOJFGPUWPMPICH-IZZDOVSWSA-N 432.317 2.888 10 40 IFCB C[C@@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(=O)N1CCOCC1 8769978 FPLSRVHMFMEEOW-GFCCVEGCSA-N 427.840 2.520 10 40 IFCB O=C1NC(=S)N(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 10058933 KBAMVJZXICRYMW-FOWTUZBSSA-N 425.466 2.799 10 40 IFCB CSc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)c(O)n1 104090697 JTGRMOQVNQJUFW-VXPUYCOJSA-N 438.520 2.862 10 40 IFCB COc1ccc(N2CCN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3Cl)CC2)cc1 222513257 SJWNZWICBLDEIH-UHFFFAOYSA-N 437.949 2.707 10 40 IFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1 17102049 TYOWNZJIVFAZOK-STZFKDTASA-N 438.440 2.933 10 40 IFCB O=S(=O)(O)c1cc(O)c2c(/N=N/c3ccc(O)cc3O)cc(S(=O)(=O)O)cc2c1 25557856 BTEWRTUJKSQHIE-ISLYRVAYSA-N 440.411 2.865 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)CN3C(=O)c4ccccc4C3=O)N3CCCCC3)ccc21 13007850 AHJNZCIRNRPAJO-QHCPKHFHSA-N 446.551 2.618 10 40 IFCB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 19818498 QOTQRJOGFLZLJN-WOJBJXKFSA-N 439.468 2.599 10 40 IFCB Cc1c(N/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 101345418 IEVGXAIEJPUQRD-JXAWBTAJSA-N 447.520 2.570 10 40 IFCB COc1ccc(N2CCN(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)CC2)cc1 3349630 ZKNWGPMHZSMARJ-UHFFFAOYSA-N 429.826 2.878 10 40 IFCB CN(C)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@H]2CCS(=O)(=O)C2)cc1 9454575 GVFCFIYLIWALIP-IBGZPJMESA-N 440.521 2.689 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc(OC)c1OC 13750572 NIMCHXUFIQUWND-YBEGLDIGSA-N 446.506 2.964 10 40 IFCB O=C1N=C(O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1c1ccc2c(c1)OCO2 96504872 IQDGZGADCBUOCU-OQLLNIDSSA-N 439.399 2.898 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)c(OC)c1 16914805 JLANDKDLPHRXKN-HXUWFJFHSA-N 433.574 2.885 10 40 IFCB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 224276022 ZBWDNJXMNPDVRN-KRWDZBQOSA-N 431.558 2.766 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OC(C)C 408907022 LBCSNGJMPAWESB-UHFFFAOYSA-N 427.320 2.844 10 40 IFCB C[C@@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 13575810 IRDVGJQCOKMEBC-AKXTVZDZSA-N 426.563 2.996 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)CC3CCCCC3)CC2)cc1 11796459 FXZONMZTZNXEBV-UHFFFAOYSA-N 437.606 2.624 10 40 IFCB CN1CCN([C@@H](CNC(=O)NCCCc2ccccc2)c2ccc3c(c2)CCN3C)CC1 38517979 RGWMQWUOOHCVJN-VWLOTQADSA-N 435.616 2.899 10 40 IFCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)c(Cl)c1O 59140101 AWMBJFOVOGCEKV-UHFFFAOYSA-N 433.711 2.806 10 40 IFCB CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 9064476 YILKCWDZCATPHS-UHFFFAOYSA-N 444.513 2.839 10 40 IFCB Cc1sc2nc(CS[C@H](C)C(=O)NCCc3ccc(O)c(O)c3)[nH]c(=O)c2c1C 89562956 JKWXBJPNXWMBFL-GFCCVEGCSA-N 433.555 2.993 10 40 IFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)c1 409107907 XZACWOHKQCZIRK-KGENOOAVSA-N 435.480 2.897 10 40 IFCB CCCN1C(=O)/C(=C/c2c(N[C@@H](CC)CO)nc3c(C)cccn3c2=O)SC1=S 1480730 QJJUNVNUAINWRI-OJNRTJSBSA-N 432.571 2.797 10 40 IFCB COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 14011127 ISWZAVBRKAJQAP-YVLHZVERSA-N 438.436 2.530 10 40 IFCB CC(=O)NCCc1c(/C=C2\C(=O)N=C(O)N(c3cccc(F)c3)C2=O)[nH]c2ccccc12 17209465 RMBQJEOMKDSTSX-LDADJPATSA-N 434.427 2.856 10 40 IFCB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1 408733698 ZYNFEOGWFWTWSO-ZPBCLNFZSA-N 437.521 2.566 10 40 IFCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)SC1=S 1276941 XLMGBXWLQPCWEM-KSRYWAHESA-N 432.317 2.926 10 40 IFCB CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C(=O)N(C)C1=O 3368057 XYHLKGMFIRHWQU-UHFFFAOYSA-N 444.447 2.744 10 40 IFCB CCCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2cc(S(N)(=O)=O)ccc21 6181408 REEOBOOHSXOQAU-UHFFFAOYSA-N 435.527 2.870 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCOCC3)C2=O)cc1 8819879 ZQEZPNZXHVYWJZ-SDXDJHTJSA-N 449.598 2.820 10 40 IFCB COc1ccc(N2CCN(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)CC2)cc1 23466510 QTRITCQOHODOMB-JOCHJYFZSA-N 426.542 2.620 10 40 IFCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(C)c2)c1=O 100925618 NZTOEABWPWBTBO-BOPFTXTBSA-N 436.855 2.999 10 40 IFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCCC2)C1=O 408536015 VFNZOUQWDNMEPX-WYMLVPIESA-N 446.467 2.756 10 40 IFCB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260839140 JBQOZOUBHSJCPD-SFHVURJKSA-N 445.585 2.868 10 40 IFCB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409212205 NXYHRZVOWPRTAY-YVLHZVERSA-N 449.485 2.667 10 40 IFCB COc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9425337 LRDZTCOYTYNGCQ-LNYGYFNRSA-N 428.554 2.990 10 40 IFCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Br)cc1Cl 101060601 FWAIHMOSLLUMFA-WBOGTDJTSA-N 432.727 2.804 10 40 IFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(O)c([N+](=O)[O-])c1 408741845 SIWICMFXBOPVRR-IZZDOVSWSA-N 432.186 2.729 10 40 IFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 408964583 DSJHAZUCPQLCJY-JLHYYAGUSA-N 435.864 2.740 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)O 409046799 MHBKTFPGHJOWFO-MDWZMJQESA-N 444.827 2.787 10 40 IFCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1C 409190940 CAPXEESJBDDROJ-XNTDXEJSSA-N 426.450 2.542 10 40 IFCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1N1CCCCS1(=O)=O 222572469 JRGBBGFYLOQNFK-UHFFFAOYSA-N 443.569 2.692 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc(OC)c1OC 2260187 NIMCHXUFIQUWND-MHWRWJLKSA-N 446.506 2.964 10 40 IFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)OC)c4ccccc34)C2=O)c1 9310030 RZWNSWDFAWVZAL-ODLFYWEKSA-N 447.447 2.879 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 33539591 HZWAEZPTVWLYNT-MIQLPHMESA-N 442.562 2.616 10 40 IFCB COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C(=O)N=C2O)c1 9076513 LHIYRRSFVVXXKC-NTEUORMPSA-N 440.412 2.549 10 40 IFCB Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 24509258 RTMDWTCDGIPYBO-UHFFFAOYSA-N 443.491 2.873 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 224076903 PVZTVFLNNNPRPM-UHFFFAOYSA-N 449.573 2.632 10 40 IFCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S2)CC1 9190115 FAIBKGLMMPWYSL-SFQUDFHCSA-N 434.514 2.958 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1 22998827 RIYNIFIDBAPWQX-FQEVSTJZSA-N 430.936 2.534 10 40 IFCB CCOc1ccc(N2CN=c3s/c(=C\c4cccc(Br)c4)c(=O)n3C2)cc1 2356342 VAKQWQSLRDTTNF-WQRHYEAKSA-N 444.354 2.955 10 40 IFCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H]1CSC[C@@H]1O 54361062 LPTHVJWTDZMISO-JNCUSGHUSA-N 428.988 2.524 10 40 IFCB C[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 103002188 NOXFJLUTTKVRKS-ASKKUZCQSA-N 435.263 2.992 10 40 IFCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 408526205 AZXZBNSWDXPBSA-VOMPUTFMSA-N 446.419 2.538 10 40 IFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408808570 JKSGCETVOLARNZ-UHFFFAOYSA-N 445.815 2.975 10 40 IFCB CCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br 15011982 CIEWDTIQBLCNNJ-UHFFFAOYSA-N 434.109 2.525 10 40 IFCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)OC 35213071 SEWCTGBYYWRGDD-UYRXBGFRSA-N 436.464 2.827 10 40 IFCB C/C(NCCN1CCNCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100095591 MOGCOLZQXKEOMD-HEHNFIMWSA-N 446.580 2.816 10 40 IFCB C#CCOc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 107913513 ZNCBPAWNIOKCTO-GDNBJRDFSA-N 427.254 2.931 10 40 IFCB COc1cc2c(cc1S(=O)(=O)NCc1ccc(N3CCN(C)CC3)cc1)CCCC2 224095538 NWCXUZBTFJKGBI-UHFFFAOYSA-N 429.586 2.804 10 40 IFCB CN1CCCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)N3CCOCC3)ccc21 13008332 YJTBQULORPAMPX-HSZRJFAPSA-N 447.535 2.979 10 40 IFCB CN1CCN([C@@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccc3c(c2)CCN3C)CC1 35597257 RMVLUPJKPRSZLO-NRFANRHFSA-N 437.544 2.518 10 40 IFCB CCS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 13610491 VKCNNVAAEXYPHS-UHFFFAOYSA-N 443.569 2.760 10 40 IFCB CSc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(O)n1 17021145 YBEJHDLFVHXJDY-GHVJWSGMSA-N 432.491 2.801 10 40 IFCB CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 34869314 HKPAETSIBKVBHU-UHFFFAOYSA-N 430.417 2.873 10 40 IFCB COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@@H](/N=N/c3ccc(C(=O)O)cc3)C2=O)c1 102946970 PBNIYUVSTZBQSO-FYTMPNSFSA-N 437.412 2.619 10 40 IFCB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 9210102 SDCUKTCFDLOLLH-UZLBHIALSA-N 434.533 2.875 10 40 IFCB COc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1OC 22418635 MLVXNWINPSTVMB-OAQYLSRUSA-N 441.576 2.880 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 409394044 UVJHHRNDZCTEQS-VCHYOVAHSA-N 430.420 2.884 10 40 IFCB Nc1ccc(/N=N/c2c(N)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)c1 5488280 VCLBPBRTEMUQBU-FMQUCBEESA-N 438.443 2.619 10 40 IFCB COc1ccc(Br)cc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O 14197668 KKTRKTLETFNSDR-PTNGSMBKSA-N 443.388 2.991 10 40 IFCB CCN(C(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 15811904 ZOIMTGXHQRSPMI-PKOBYXMFSA-N 432.542 2.675 10 40 IFCB C#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 33748419 IPJBUZLSQJQJFY-PTNGSMBKSA-N 444.228 2.765 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1cccc(F)c1 408864906 AHTUARIEXDZLBA-UHFFFAOYSA-N 433.233 2.937 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1 409184736 MHPOODRZDYHUIM-XDHOZWIPSA-N 438.436 2.692 10 40 IFCB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964180 WIRWRMDTAMYVPT-JOCHJYFZSA-N 436.556 2.969 10 40 IFCB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 13008037 PDFUUFMIARCCIZ-QHCPKHFHSA-N 436.556 2.969 10 40 IFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)c1 409094448 DXFPNFSULAERRW-XSFVSMFZSA-N 437.521 2.753 10 40 IFCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)NC1=S 409099772 UBTKMXKFOBCWHK-SDNWHVSQSA-N 431.901 2.909 10 40 IFCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(NCCCn3ccnc3)nc12 9310547 XHKMCFMSYGVFFR-PTNGSMBKSA-N 440.554 2.533 10 40 IFCB CN(C)c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1 49004060 YLHRXRKDEOXWQT-UHFFFAOYSA-N 431.489 2.517 10 40 IFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S 51330788 DBMCGFNCPFLZHU-NUKWSGDCSA-N 432.479 2.567 10 40 IFCB CCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 9334961 JEZMYYRPVZLFMZ-BXLLULHASA-N 444.582 2.838 10 40 IFCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c2C)cc1C 9516456 XETJJQZGXJPHSM-CSKARUKUSA-N 449.507 2.548 10 40 IFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccccc1OC 17102058 UFBAUDIDCFELCH-STZFKDTASA-N 438.440 2.933 10 40 IFCB CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C(=O)NC1=S 9259357 WXRUKFONCIATKX-RIYZIHGNSA-N 430.869 2.874 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)CC2)cc1 24606958 HWBFSCJLNOJWIC-KRWDZBQOSA-N 449.598 2.506 10 40 IFCB O=C(CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)N[C@H](CO)Cc1ccccc1 33540026 IYUJBRNERNCAKY-PBXDPIQXSA-N 430.526 2.747 10 40 IFCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(Br)cc1Cl 101060600 FWAIHMOSLLUMFA-LAPSENCUSA-N 432.727 2.804 10 40 IFCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OC(C)=O 408755273 JETRJMCDDFXBJH-QPEQYQDCSA-N 427.276 2.880 10 40 IFCB COc1ccc(N2CCCN(CC3CCN(C(=O)c4cn(C)nc4C)CC3)CC2)cc1 72338553 UAGWXDQDCXZTKE-UHFFFAOYSA-N 425.577 2.802 10 40 IFCB C[C@H](C(=O)O)n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)ccc21 409191568 ZHYNWSLHNQTQIO-GFQQVXNGSA-N 447.403 2.682 10 40 IFCB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 2432704 SDCUKTCFDLOLLH-OXQOHEQNSA-N 434.533 2.875 10 40 IFCB COc1cc(CN/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC 2613104 XPSAAFLSRFGEAS-RVDMUPIBSA-N 445.859 2.622 10 40 IFCB COc1ccc(N2CCN(C(=O)CCCN(c3ccccc3F)S(C)(=O)=O)CC2)cc1 223275527 XZEWTJZTWXTMDY-UHFFFAOYSA-N 449.548 2.729 10 40 IFCB COc1ccc(N2CCN(C(=O)CSc3ccc(C(=O)N4CCCC4)cn3)CC2)cc1 32907198 PZNAALJKMKOPBJ-UHFFFAOYSA-N 440.569 2.767 10 40 IFCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC#N 108116827 KUYYDPMQBWQXKG-ZROIWOOFSA-N 428.242 2.821 10 40 IFCB COc1ccc(N2CCN(C(=O)CCn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)cc1 23125621 CCTORLICLFVTIF-UHFFFAOYSA-N 445.523 2.934 10 40 IFCB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 9424504 GWTIPYXSZGUTJR-NRFANRHFSA-N 430.570 2.964 10 40 IFCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)N1CCCCCC1 13148143 QKXJYLWMNNYCQD-CYVLTUHYSA-N 429.542 2.962 10 40 IFCB COc1cccc(N2C(=O)/C(=C\c3c(OC)cc(OC)cc3OC)C(=O)NC2=S)c1 9331191 FZONNPKTYLZXFF-WJDWOHSUSA-N 428.466 2.552 10 40 IFCB COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 10113562 ZOCBGYWVJQDPQB-UHFFFAOYSA-N 431.558 2.686 10 40 IFCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3nnc4ccccc4c3=O)c2C)cc1 16258563 YZLNLMBATXUAQZ-UHFFFAOYSA-N 430.464 2.934 10 40 IFCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OC(=O)c1ccccc1 408893179 FXWUHRFHWBZBAP-UHFFFAOYSA-N 431.267 2.583 10 40 IFCB COC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107732444 BNBOGBOYJKZOQU-ZEVOCZHWSA-N 445.815 2.650 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1OC 8800942 ZODNWOTVIHZNBW-OAQYLSRUSA-N 445.585 2.812 10 40 IFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 13073931 XMBJYFDHLIFYPR-CWZJEYLYSA-N 448.434 2.984 10 40 IFCB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1)c1ccccc1 223174462 GROKKULUKZSARG-UHFFFAOYSA-N 443.554 2.869 10 40 IFCB COc1ccc2nc(/C=C3\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)ccc2c1 54360852 YOMGGZJPEWEYND-WJQTUHTMSA-N 432.479 2.763 10 40 IFCB CCOC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 14915164 RVFMYBLPLYQGTH-UHFFFAOYSA-N 427.501 2.822 10 40 IFCB CCN1/C(=C2/SC(=S)N(N)C2=O)Sc2ccc(S(=O)(=O)C(F)(F)F)cc21 100199805 HINJTPIODFEAID-LUAWRHEFSA-N 441.503 2.815 10 40 IFCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC 409407142 LDMJUGGORQFVTA-DHDCSXOGSA-N 430.844 2.752 10 40 IFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1 409099927 RTWIYRMNMRYZOK-LICLKQGHSA-N 445.387 2.571 10 40 IFCB O=C(O)CN1C(=O)/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 26840874 ZVEUOSSWRFPTGN-GXDHUFHOSA-N 439.474 2.773 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)N=C2S)cc1 2594492 WXTNXATVJGBGSQ-PBSOMRJOSA-N 426.450 2.790 10 40 IFCB COc1cc(C(=O)NN2C(=O)/C(=C\c3cccn3C)SC2=S)cc(OC)c1OC 8828442 TWXFBDHARATZJA-XNTDXEJSSA-N 433.511 2.597 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(OC)cc2OC)C1=O 2288528 ULBQPOVYDRZSEB-GXDHUFHOSA-N 426.425 2.778 10 40 IFCB CC(C)c1ccccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 22395400 VLNUGGCLGQXLIS-UHFFFAOYSA-N 445.585 2.729 10 40 IFCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)=O 108136043 LBXVRTZENWKUII-OQLLNIDSSA-N 431.242 2.844 10 40 IFCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C 409238002 JUWGJIUWNPYKPA-XDHOZWIPSA-N 444.447 2.942 10 40 IFCB COc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(Br)c2)C(=O)NC1=S 9323537 BPTMBNHBNXVAIA-FLIBITNWSA-N 433.283 2.995 10 40 IFCB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCC3)cc2)cc1 225813071 VUAVKPSMVYGUJX-UHFFFAOYSA-N 433.599 2.946 10 40 IFCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409131838 YKCPUCHGCFBECR-MHWRWJLKSA-N 429.835 2.982 10 40 IFCB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 13656028 FWAIHMOSLLUMFA-HBZGRHIISA-N 432.727 2.804 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2902299 AYBWOJCCHKEQGJ-MPMPPSQCSA-N 438.436 2.912 10 40 IFCB CCOc1ccc(N/C=C2/C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 9191259 NALZHAWCBAXGCA-JXAWBTAJSA-N 439.468 2.719 10 40 IFCB Cc1noc(/C=C/c2cc([N+](=O)[O-])c(N3CCOCC3)cc2N2CCOCC2)c1[N+](=O)[O-] 408605807 NENJZODLYBYCKN-NSCUHMNNSA-N 445.432 2.643 10 40 IFCB COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 409187926 DFQGMGSQQJYLMV-NTUHNPAUSA-N 446.868 2.887 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)CC2)cc1 13678300 QAFAVHLVLUSJBB-IBGZPJMESA-N 445.585 2.815 10 40 IFCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 408904003 CDYXGRAMOGQDAT-NTUHNPAUSA-N 434.235 2.524 10 40 IFCB Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1C 409267852 WPNYCYDXJKNSML-UHFFFAOYSA-N 443.912 2.889 10 40 IFCB COCCNC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c2ccccc21 2314565 BRHHVNPNZXGTKX-CPNJWEJPSA-N 446.463 2.911 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 224253029 YMDIXWJKUWISTD-OAQYLSRUSA-N 431.558 2.766 10 40 IFCB COc1ccccc1N1C(=O)NC(=O)/C(=C\NNc2ccc(Br)cc2)C1=O 408531925 PEBJJEQDWUBQKM-JLHYYAGUSA-N 431.246 2.541 10 40 IFCB CCN(CC)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 2421859 SWOYTVJKOFNSJQ-ZHZULCJRSA-N 436.512 2.635 10 40 IFCB CN(C)CCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524743 UNVKQUQHAZGNRC-VWLOTQADSA-N 445.567 2.856 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCCC3)ccc21 8964106 OSZHVWOYNFQHGH-NRFANRHFSA-N 428.483 2.849 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)cc1 9264491 GOAGNOQESUPBIE-SFQUDFHCSA-N 441.484 2.502 10 40 IFCB COc1ccccc1OCCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC 9434694 LODNALOKXZIXBN-UHFFFAOYSA-N 446.843 2.564 10 40 IFCB COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1 780419 UAZJYWMKODKILD-UHFFFAOYSA-N 437.540 2.905 10 40 IFCB CSc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)c(O)n1 17021139 JTGRMOQVNQJUFW-FMQUCBEESA-N 438.520 2.862 10 40 IFCB CCN1CCN(c2ccccc2NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)CC1 58137588 GDMJSPFXANZZTQ-UHFFFAOYSA-N 437.588 2.930 10 40 IFCB COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 13008374 QRPUIZUNEYIFBW-JOCHJYFZSA-N 439.556 2.646 10 40 IFCB C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409202677 STTYLSDTUCBENP-BAACNHRGSA-N 429.542 2.961 10 40 IFCB CCCN1C=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 15867538 NQTHYDDOMZSWSI-UHFFFAOYSA-N 442.541 2.605 10 40 IFCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)CC1 219266955 FVQSHRSLAHGLTC-ICSRJNTNSA-N 436.622 2.619 10 40 IFCB CCOc1ccc(N2C(=O)/C(=C\[C@H]3C(=O)N(c4ccccc4)N=C3C)C(=O)NC2=S)cc1 8872532 ATJHOEXCCSPXCB-ZJYZBMPFSA-N 448.504 2.798 10 40 IFCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccc(-c2nnn(CCO)n2)cc1 604406191 YEPXXZPGQSDRMW-UHFFFAOYSA-N 435.443 2.848 10 40 IFCB biogenic COCCn1nnnc1[C@H](c1ccccc1Cl)N1CCN(c2ccc(OC)cc2)CC1 13504308 KQUHMGJCARTXIP-NRFANRHFSA-N 442.951 2.893 10 40 IFCB COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2ccc(OC)cc2)CC1 13504309 KQUHMGJCARTXIP-OAQYLSRUSA-N 442.951 2.893 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)O 104024634 RDURGUHPDYWEDC-NTUHNPAUSA-N 436.848 2.607 10 40 IFCB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8963992 RJZPQOGNSOCCQE-IBGZPJMESA-N 430.936 2.699 10 40 IFCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NC(=O)Cc1ccccc1 13097335 RCYLTMPWXJHLES-UHFFFAOYSA-N 427.412 2.504 10 40 IFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCO4)SC1=S 9420188 DBMCGFNCPFLZHU-JVDKPVQESA-N 432.479 2.567 10 40 IFCB COc1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 17094889 WVMKHMIEFAIRNS-JXMROGBWSA-N 426.498 2.840 10 40 IFCB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCS(=O)(=O)O 35039837 JIQWXKAWBULGBJ-ZROIWOOFSA-N 440.480 2.944 10 40 IFCB CCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1810141 NHUXORJBWICPIJ-QXMHVHEDSA-N 427.301 2.536 10 40 IFCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 6198779 RMIWZYOXWZLPNP-RCCKNPSSSA-N 440.525 2.734 10 40 IFCB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2C[C@H]1C 20449213 YAMBYOPJDWHIRH-QGZVFWFLSA-N 443.569 2.758 10 40 IFCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc2c(c1)OCO2 25357399 KIOKPFJOFZTTQV-UHFFFAOYSA-N 429.384 2.986 10 40 IFCB O=C(CCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@@H]1C=CS(=O)(=O)C1 36596324 QZYOQQIGDDMGQM-ZHPMRIGOSA-N 448.591 2.651 10 40 IFCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408722238 FRDSBILPBXJQDA-UUILKARUSA-N 431.813 2.808 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 409232509 QKNFDGGRUNGQMA-CPNJWEJPSA-N 437.521 2.672 10 40 IFCB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3cn(C(C)=O)c4ccccc34)C2=O)c1 2205575 FBWILCJFDRMGCH-LICLKQGHSA-N 433.420 2.985 10 40 IFCB CCN(CC)c1ccc([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(O)c1 8892459 RURLWTDKIHDVIJ-XUJKJYMVSA-N 437.496 2.532 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCCC3)ccc21 13008053 JAVOVEDHQDIYTI-XMMPIXPASA-N 434.584 2.681 10 40 IFCB COC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408994007 YAJHTLOWNYNRCK-DHDCSXOGSA-N 428.828 2.867 10 40 IFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)[nH]c2ccccc12 2210380 TXVMNLXUBMXGON-AQTBWJFISA-N 432.505 2.678 10 40 IFCB CN(C)c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 13504433 OYULYBKSPSUNBB-RPWUZVMVSA-N 447.587 2.830 10 40 IFCB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN1C(=O)CSC1=S 32594546 HFRKBRKJHLSFAR-UHFFFAOYSA-N 441.563 2.918 10 40 IFCB CC(C)COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O 409056970 NXXZSDCTBGSFBO-UHFFFAOYSA-N 446.095 2.996 10 40 IFCB C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1020037 LWSXAOWOZRUQPG-QFBILLFUSA-N 434.533 2.875 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)c(OC)c1 13768302 PTNUQFSBKMUNGG-YBEGLDIGSA-N 436.536 2.799 10 40 IFCB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccccc21 20459472 LQWTXUKCOVGXGV-OAQYLSRUSA-N 429.542 2.520 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)c(OC)c1 59595941 JUTVTCRKCHBFFV-YRNVUSSQSA-N 437.271 2.891 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CCN1C(=O)S/C(=C/c2cccs2)C1=O 9348462 SXROXBPEELVKIN-LICLKQGHSA-N 446.506 2.927 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCOCC3)ccc21 22733396 RRVDVIXDJURBSZ-QGZVFWFLSA-N 434.334 2.838 10 40 IFCB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 67198638 DXGIXOPURJTNFC-UHFFFAOYSA-N 448.523 2.585 10 40 IFCB CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220517984 GRACYKMKJJKANS-JOCHJYFZSA-N 445.585 2.693 10 40 IFCB COc1ccc(NC(=O)COc2ccc(/C=C3\SC(NC(C)=O)=NC3=O)cc2)cc1 408766260 SYKAULKPNNYLIN-WQRHYEAKSA-N 425.466 2.819 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1O 408952375 NMCOGRYZBMRWFQ-LFYBBSHMSA-N 430.800 2.839 10 40 IFCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007871 PGLCBJVSJDUCCC-QHCPKHFHSA-N 436.556 2.969 10 40 IFCB COc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 59139205 OEXCJZAPIINPLP-UHFFFAOYSA-N 448.136 2.819 10 40 IFCB COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 77200026 JUFRDNYMBJKMER-OAQYLSRUSA-N 427.476 2.849 10 40 IFCB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 3406230 ZEWHSRNWEAQJQB-UHFFFAOYSA-N 449.419 2.590 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 9188720 YAMCFGNHWUZJFV-YBEGLDIGSA-N 444.490 2.705 10 40 IFCB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1nc2ccc(Cl)cc2s1 408530763 MQJKAROPKIXMGF-SDNWHVSQSA-N 426.885 3.567 10 40 IFCB COc1ccc(N2CCN(C(=O)CCCN(c3ccccc3)S(C)(=O)=O)CC2)cc1 13568385 IQDAOJKDGXKVMD-UHFFFAOYSA-N 431.558 2.590 10 40 IFCB COC(=O)c1cccc(Cn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)c1 408541234 FKLKHPBWEZFPDX-UHFFFAOYSA-N 431.448 2.910 10 40 IFCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccccc1 409090460 NIELXGGUOYVEND-LDADJPATSA-N 446.506 2.959 10 40 IFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCC(N)=O)C1=O 409227975 YLIOJEOOIHWZBV-MDWZMJQESA-N 448.262 2.832 10 40 IFCB O=C(O)c1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)ccc1Br 71818269 SDPDPMQUGBDGIB-UHFFFAOYSA-N 441.303 2.785 10 40 IFCB CCN1C(=O)/C(=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C 408870390 VCJUNVSABLSBRM-XDHOZWIPSA-N 444.509 2.759 10 40 IFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)[nH]c2ccccc12 2397081 UHYHZFAKGWNLFI-VBKFSLOCSA-N 434.427 2.652 10 40 IFCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 12565509 NCISAPFQEBMEKW-IBGZPJMESA-N 429.542 2.617 10 40 IFCB Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)ccc1[N+](=O)[O-] 22664993 RJBANRGMSUJFNJ-JOCHJYFZSA-N 425.533 2.688 10 40 IFCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1N1CCCC1=O 38752119 RSJBGGJQWIHCHH-UHFFFAOYSA-N 429.542 2.901 10 40 IFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1ccccc1Cl 41077949 SUMPJPZMLRJARU-UHFFFAOYSA-N 432.885 2.721 10 40 IFCB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409213191 RKNIXLHOYOLKQH-ATVHPVEESA-N 449.485 2.811 10 40 IFCB COc1ccc(N2CCN(C(=O)c3ccc(N4CCCCS4(=O)=O)cc3)CC2)cc1 15942438 BIIXUDRDUNEZOJ-UHFFFAOYSA-N 429.542 2.588 10 40 IFCB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 20802178 BYJNVUZXNAMGRD-NHCUHLMSSA-N 436.512 2.864 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1O[C@@H](C)C(=O)O 409228475 ANZWHZZLQASSSF-LUYJPIOASA-N 438.436 2.830 10 40 IFCB COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(S(C)(=O)=O)CC2)ccc1O 1271882 LVKVGMSGMBMNBR-SFHVURJKSA-N 443.525 2.696 10 40 IFCB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc5c(c4)OCCO5)CC3)ccc21 19017792 YLXBOEWHXPGZSR-QHCPKHFHSA-N 437.540 2.613 10 40 IFCB O=C1CC[C@@H](NCc2ccc(O)c(CN3CCOCC3)c2)[C@H](c2cc(F)cc(F)c2)N1 19293001 NTZKSHNWHNRISJ-OFNKIYASSA-N 431.483 2.612 10 40 IFCB Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 40017142 XQTCPCATYISCEK-UHFFFAOYSA-N 437.562 2.897 10 40 IFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)cc1 409131474 INQDIMANUBHMTL-SFQUDFHCSA-N 425.485 2.802 10 40 IFCB CN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N(C)C1=S 59139162 YULANDIKJXJSIS-UHFFFAOYSA-N 442.409 2.894 10 40 IFCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CCN(C)CC3)C2=O)cc1 13122169 LKGXUFJUQCKSOD-SDXDJHTJSA-N 432.615 2.509 10 40 IFCB COCCN(CCOC)Cc1c(O)ccc2c(O)c(-c3ccccc3OC)c(=O)oc12 20650192 DTHCBUWMFRJUFU-UHFFFAOYSA-N 429.469 2.975 10 40 IFCB biogenic C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 219267167 UDCJTGLPSYPGCQ-HBFSDRIKSA-N 436.622 2.619 10 40 IFCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1OC 409126720 BQMSPILJCPBOEB-MHWRWJLKSA-N 440.452 2.860 10 40 IFCB CCN(C(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 15811901 ZOIMTGXHQRSPMI-IEBWSBKVSA-N 432.542 2.675 10 40 IFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 35517172 HNYQPUTWUIDZRQ-AISSWFOISA-N 447.446 2.774 10 40 IFCB CN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C(=O)NC1=S 9311639 KVJUYALAGOOLPL-YVLHZVERSA-N 436.468 2.676 10 40 IFCB COc1cc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OC)c1 35597241 RFRDKMJZTOLXPN-HSZRJFAPSA-N 440.544 2.891 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC(C)C)C(=O)O)C2=O)cc1 8870099 KWUAPOAYFLVIKK-KFXIKWRMSA-N 436.555 2.902 10 40 IFCB O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 9216074 QZYOQQIGDDMGQM-WJIPGMHUSA-N 448.591 2.651 10 40 IFCB COc1ccc(N2CCN(C(=O)CSc3nnc4c5ccccc5n(C)c4n3)CC2)cc1 1366049 YYRKDVHTSSQCBV-UHFFFAOYSA-N 448.552 2.966 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(OC)c1 8801040 BPMUFSJVRBTNGH-OAQYLSRUSA-N 445.585 2.812 10 40 IFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1 16906480 GRLDYTUZOGDXGW-MHWRWJLKSA-N 444.490 2.705 10 40 IFCB COc1ccc(N2CCN(c3nnc(SCC(=O)NCc4ccco4)s3)CC2)cc1 23139984 UWHQCIMTNARDTN-UHFFFAOYSA-N 445.570 2.875 10 40 IFCB COc1ccc(N2CCN(c3nc(CSc4nnc(C)s4)cc(=O)[nH]3)CC2)cc1 8758005 TWAHECCVMATINM-UHFFFAOYSA-N 430.559 2.557 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1Cl 409250499 MONRPTUYZMVYBE-UHFFFAOYSA-N 429.885 2.580 10 40 IFCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(I)c1 1175201 SFBYPVUDAQAASF-NVNXTCNLSA-N 449.248 2.790 10 40 IFCB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl 13656031 FWAIHMOSLLUMFA-ZWIPKHHJSA-N 432.727 2.804 10 40 IFCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)C1 260455485 WQDINCUDQSHFAW-ROUUACIJSA-N 436.622 2.619 10 40 IFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1O 408846781 KXTWVYWYNYSSKT-WUXMJOGZSA-N 431.198 2.550 10 40 IFCB COc1ccccc1C(=O)NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 9816113 HEJXJVKDZHQQQE-UHFFFAOYSA-N 443.411 2.584 10 40 IFCB CCCCC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)OC(C)C)c1C 40476943 NIYTZFUOOYYHMZ-UHFFFAOYSA-N 437.543 2.821 10 40 IFCB Cc1cc(I)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1O 113831064 MDZSTPUNQBFFTM-RUDMXATFSA-N 435.264 2.591 10 40 IFCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H](CO)Cc1ccccc1 9303049 MDLWWFDBSFLJLD-LVSMMTLPSA-N 430.526 2.747 10 40 IFCB CCOC(=O)CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 36081913 BZBJHDYGYBFWAA-MSUUIHNZSA-N 428.491 2.961 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)ccc1O 13787254 WWJAAMDMMHZFTK-NVNXTCNLSA-N 431.451 2.855 10 40 IFCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc(F)c1 20206356 QKOKIDAHJZEEGD-NQDRLLCNSA-N 445.501 2.855 10 40 IFCB COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)cc1 810063 BWXWIGABRLCLNE-UHFFFAOYSA-N 445.585 2.663 10 40 IFCB O=C(NC1CC1)c1ccc(N2CC[C@@H](NCc3cc(Br)ccc3O)C2)nc1 49421001 FJWWNCTWUIXAKZ-QGZVFWFLSA-N 431.334 2.810 10 40 IFCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 409148915 UJRIWRYPTRJWJG-XMHGGMMESA-N 429.542 2.880 10 40 IFCB COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@H](/N=N\c2ccc(C(=O)O)cc2)C1=O 104315455 RNZQNRXGBXKHDZ-OAFDPHIXSA-N 437.412 2.619 10 40 IFCB COc1ccc(N2CCN(C(=S)NC(=O)COc3ccccc3C)CC2)c([N+](=O)[O-])c1 9934676 HRDXLIJSAKFODI-UHFFFAOYSA-N 444.513 2.514 10 40 IFCB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 12564665 MJXIRWIAXHDXFD-UHFFFAOYSA-N 434.562 2.609 10 40 IFCB COc1ccccc1N1C(=O)/C(=C/NNC(=S)Nc2ccccc2)C(O)=NC1=S 13687967 AHAXSLSJKQQLLH-ACCUITESSA-N 427.511 2.658 10 40 IFCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1 17096856 NLAYPJSEHUMAGR-JWGURIENSA-N 430.468 2.978 10 40 IFCB C[C@@H](C(=O)N(C)C[C@@H](O)c1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S 33589225 GEYLAKDAPIRPEN-HFHAMQQBSA-N 432.523 2.767 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1O[C@H](C)C(=O)O 409228473 ANZWHZZLQASSSF-DSQDWWTGSA-N 438.436 2.830 10 40 IFCB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8963991 RJZPQOGNSOCCQE-LJQANCHMSA-N 430.936 2.699 10 40 IFCB O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccccc1O 72232856 CTCWTNFPVCIVLW-YVLHZVERSA-N 428.491 2.752 10 40 IFCB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 23134865 BMOLDCALJGLSNV-UHFFFAOYSA-N 428.496 2.782 10 40 IFCB COc1ccc(N2CCN(C(=O)c3nn(C)c4c3Cc3cc(OC)c(OC)cc3-4)CC2)cc1 32091235 KXNKNXYNAKCVBX-UHFFFAOYSA-N 448.523 2.980 10 40 IFCB Cc1ccc(C)n1N1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)SC1=S 408536205 YQFYBCWGIOAMMK-PXNMLYILSA-N 443.510 2.741 10 40 IFCB O=C(CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(Cl)cc1 8815784 RDKUZEYMUMAUFE-CPNJWEJPSA-N 440.887 2.708 10 40 IFCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NC[C@H](O)c1ccc([N+](=O)[O-])cc1 408526207 AZXZBNSWDXPBSA-YWFITGJYSA-N 446.419 2.538 10 40 IFCB CCNc1nc(NCC)n2c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nnc2n1 8691222 KPKJRTXIWDOMHN-UHFFFAOYSA-N 430.582 2.560 10 40 IFCB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1N1CCN(c2ccc(OC)cc2)CC1 9827925 HNYMKYHTYCJNLC-UHFFFAOYSA-N 434.496 2.744 10 40 IFCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc21 12363809 YUDBCXCAUFGQAY-BOPFTXTBSA-N 433.489 2.954 10 40 IFCB COc1cc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OC)c1 35597242 RFRDKMJZTOLXPN-QHCPKHFHSA-N 440.544 2.891 10 40 IFCB CCOc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccc(OC)cc3)CC2)n1 54274364 VEGPXVOOSAJTSE-UHFFFAOYSA-N 435.532 2.927 10 40 IFCB COCCCN1C(=O)/C(=C\Nc2cc(OC)c(OC)cc2C(=O)OC)SC1=S 101468217 JIAZSLCGPMWGFZ-XNTDXEJSSA-N 426.516 2.641 10 40 IFCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409224303 JXRAZPHYXDBJMY-AWNIVKPZSA-N 434.235 2.524 10 40 IFCB C#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 107839461 WKYZRIPTLOEWDS-ZROIWOOFSA-N 442.225 2.831 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)cc1 225834882 OUHXZIWDKFYHRA-OAQYLSRUSA-N 431.558 2.685 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)cc1 409188690 JYGGUUXLUCMGTR-HTMJNSLASA-N 433.420 2.962 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)c(OCC)c1 408962324 HJUGCSWPSNWYRO-NTEUORMPSA-N 441.396 2.764 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1C 409266205 PECFDTXBFMXBIU-UHFFFAOYSA-N 427.844 2.724 10 40 IFCB CCOC(=O)C1=C(C)N=C2SC(C(=O)OC)=CC(=O)N2[C@H]1c1ccc(N(C)C)cc1 1442107 LGNMAUMMVJRRGD-SFHVURJKSA-N 429.498 2.633 10 40 IFCB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 9444962 OVCFSONYQABCHX-HXUWFJFHSA-N 437.456 2.698 10 40 IFCB C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 98086676 CJGJCCVNKMTFID-GPLLRDDGSA-N 437.427 2.858 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@@]3(C)C[C@@H](O)CC(C)(C)C3)C2=O)cc1 100556753 XBYAKZDIXXTLPX-UJXODLGFSA-N 429.517 2.719 10 40 IFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1Br 408891258 NPYMXZMDJHQIAY-UHFFFAOYSA-N 447.310 2.951 10 40 IFCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1OC 409390606 GCNPPWGGLBUNJH-MDWZMJQESA-N 432.230 2.528 10 40 IFCB COc1cc(CN/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1 2263592 YBIKBWZZJLAYLU-XDHOZWIPSA-N 425.510 2.742 10 40 IFCB CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408536043 VJPLWLYEEUALFP-WYMLVPIESA-N 434.456 2.694 10 40 IFCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c1 409148224 PAIUWUFOOGLXPB-UYRXBGFRSA-N 438.459 2.502 10 40 IFCB CC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2C[C@H]1C 14096981 GDJHQVQJLMEWFV-QGZVFWFLSA-N 443.569 2.641 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409242197 VJLCIJVXPGLYIK-WOJGMQOQSA-N 441.871 2.852 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1C 409268816 AXHXKZFUAVZODS-UHFFFAOYSA-N 427.844 2.724 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)NC2=S)cc1 1197721 VJYABPMSYHEKKJ-OQLLNIDSSA-N 428.466 2.552 10 40 IFCB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 20802181 BYJNVUZXNAMGRD-LEWJYISDSA-N 436.512 2.864 10 40 IFCB COc1cccc(/C=C2/SC(=O)N(CCC(=O)NCCc3ccc(O)c(O)c3)C2=O)c1 13572431 AXLXEYPGKQDOQH-CPNJWEJPSA-N 442.493 2.892 10 40 IFCB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(C)c1 22998974 ZZECXIFCPCGGQE-JOCHJYFZSA-N 438.572 2.806 10 40 IFCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1O 408960666 HSFWDLYWOMSQBD-XYOKQWHBSA-N 432.186 2.729 10 40 IFCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1cccc(C)c1 13943980 JOWHFVAZOUIISO-UHFFFAOYSA-N 426.494 2.766 10 40 IFCB CN(C)CCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524740 UNVKQUQHAZGNRC-RUZDIDTESA-N 445.567 2.856 10 40 IFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 13073929 XMBJYFDHLIFYPR-FUEWVNAISA-N 448.434 2.984 10 40 IFCB CCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OC)C2=O)c2cc(Br)ccc21 27563221 XSGATTDFMHQFGY-SEYXRHQNSA-N 441.328 2.560 10 40 IFCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCC(=O)O 59136094 KJYYLBUFKBDSRW-XYOKQWHBSA-N 430.413 2.969 10 40 IFCB CN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2399302 KWWUWGDQVIFIGP-DFSFMLJYSA-N 438.534 2.671 10 40 IFCB COc1ccc(N2CCN(C3=NC(=O)C[C@@H](C(=O)Nc4ccc(C(C)C)cc4)N3)CC2)cc1 8758171 VXFJNFPMWWEFBT-QFIPXVFZSA-N 449.555 2.824 10 40 IFCB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c(OC)c1 13008349 KJLMBWYUIQCPOA-QHCPKHFHSA-N 439.556 2.890 10 40 IFCB Cc1cccc(C)c1NC(=O)CCc1nnc2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n12 17191814 BPLCLLASTFHUSQ-XMHGGMMESA-N 447.564 2.953 10 40 IFCB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 8798769 BOGKMINHEPEXFA-JOCHJYFZSA-N 430.574 2.609 10 40 IFCB CC1=NN(c2nnn[nH]2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 102570518 HNPRTACGJSEJAN-KPKJPENVSA-N 444.205 2.937 10 40 IFCB O=C(O)[C@H]1CN[C@@H](c2cc(Br)cc(I)c2O)S1 408977817 KBDKYNUZQLPECW-VXNVDRBHSA-N 430.061 2.548 10 40 IFCB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 13572705 FUZLILDXGPHNKW-PGLQMZEQSA-N 446.525 2.925 10 40 IFCB COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 16740730 XXHSFJBUXOJPHJ-WPNIOXTASA-N 439.562 2.536 10 40 IFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NCc1ccc(C(=O)O)cc1 408550350 GKQHSDOOTJZPQX-LCYFTJDESA-N 433.848 2.599 10 40 IFCB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 3241392 CRTNJAQTUJOJKC-UHFFFAOYSA-N 426.494 2.895 10 40 IFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/NCCc1nc(-c2ccccc2)no1 20650539 ZWKAPRZHVILOED-FOWTUZBSSA-N 437.843 2.689 10 40 IFCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100326933 XTFAYFGKFZCSCB-NSYAPSIJSA-N 427.463 2.518 10 40 IFCB C#CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 108917937 JVMNXQRVOJCWHR-GDNBJRDFSA-N 442.225 2.831 10 40 IFCB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(O)c(O)c2)cc1 13574424 SQYYQGFZJKRYND-JOCHJYFZSA-N 433.464 2.545 10 40 IFCB COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCc2ccccc2Br)c1 408895596 LMEPWNPWDAUEDE-UHFFFAOYSA-N 431.242 2.786 10 40 IFCB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n(N)c1=O 3336919 IZZUACRIQZVUHD-UHFFFAOYSA-N 448.346 2.806 10 40 IFCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 107945855 RBSBTIGFPDQABW-MHWRWJLKSA-N 425.441 2.559 10 40 IFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)Cc1ccccc1F 222992095 WWRDEJPNOHUUPJ-UHFFFAOYSA-N 433.549 2.894 10 40 IFCB Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1N1CCOCC1 409199397 CUFSHWUPZWLUBE-CPNJWEJPSA-N 438.459 2.502 10 40 IFCB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)OCC3(C)C 9353122 FJYXDJZEYZOERH-QFIPXVFZSA-N 447.491 2.972 10 40 IFCB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 9540086 AOMFNRYVVXMARP-HXUWFJFHSA-N 437.456 2.698 10 40 IFCB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 10907924 OALJMDPFVMPCFE-GOSISDBHSA-N 445.585 2.872 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)cc(OC)c1OC 1269240 BLNNHDRFKAGFOA-DHDCSXOGSA-N 431.495 2.654 10 40 IFCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 9420794 OHALLGVKXKISKJ-WIWNTQSISA-N 438.527 2.783 10 40 IFCB COc1ccc(N2CCN(C(=O)C3CCN(c4ccc([N+](=O)[O-])cn4)CC3)CC2)cc1 20650985 NCHMXUGYALFLBE-UHFFFAOYSA-N 425.489 2.564 10 40 IFCB CC(=O)N(C(=O)/C=C\c1ccccc1)S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1 13590277 GGQKUUHQQYLJED-KLSJRNOZSA-N 442.497 2.795 10 40 IFCB COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCc1ccc(Br)cc1 408925568 SECDLDMNBVRLIJ-UHFFFAOYSA-N 431.242 2.786 10 40 IFCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2287138 ZUOUVUCTQPERDE-OVCLIPMQSA-N 434.326 2.835 10 40 IFCB COc1ccc(NS(=O)(=O)c2cc3c(c(O)c2O)C(=O)c2ccccc2C3=O)cc1 72194201 MUHNZLPBAUWQNQ-UHFFFAOYSA-N 425.418 2.683 10 40 IFCB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 13574894 JJLMKUGLOYXMNT-PGLQMZEQSA-N 446.525 2.925 10 40 IFCB CCOc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1C 56997545 OHCZORJLBBSSGQ-UHFFFAOYSA-N 433.574 2.503 10 40 IFCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)c1 409126767 PFBYOUIZUFZENB-SFQUDFHCSA-N 425.485 2.802 10 40 IFCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)N(C(C)C)C(C)C 13060623 UIWPCNUWJRZCBZ-UHFFFAOYSA-N 445.516 2.543 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 4330789 RJLPAATVHKSPPK-FQEVSTJZSA-N 425.489 2.553 10 40 IFCB CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccccc1)S(C)(=O)=O 13711328 JLDKRCDPHNQAKX-OAQYLSRUSA-N 431.558 2.589 10 40 IFCB COc1ccc(N2CCN(CCCN[C@@H](C)CS(=O)(=O)c3ccccc3)CC2)cc1 97033753 JUGVMLWPMMVLQJ-FQEVSTJZSA-N 431.602 2.659 10 40 IFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H](Cc1ccccc1)C(=O)O 8870061 VXRXBYJEWCWSOE-WISAJEAXSA-N 426.519 2.700 10 40 IFCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1NC(C)=O 9546293 ACMJGCNZXJXNBT-SNVBAGLBSA-N 437.543 2.740 10 40 IFCB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCN(CCO)CC2)c1O 20412162 NPDRJIQNSAUWSO-UHFFFAOYSA-N 429.542 2.603 10 40 IFCB Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)c1 59250072 RXCQUHPDZWMSLV-RIYZIHGNSA-N 430.869 2.943 10 40 IFCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 409074022 JMUMSTDONCFSGH-STZFKDTASA-N 434.496 2.671 10 40 IFCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C 409392152 LNHWUROYTCKBRI-CPNJWEJPSA-N 444.447 2.942 10 40 IFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 3196537 LTLVTBHLMZFTJT-VUBLIPMDSA-N 430.301 2.968 10 40 IFCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F 409195502 VVONYEBZRNNKNO-GZTJUZNOSA-N 439.468 2.955 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)N=C2S)cc1 2594490 WXTNXATVJGBGSQ-OOIIIRTPSA-N 426.450 2.790 10 40 IFCB COc1ccc(N2CCN(C(=O)CCn3nc(-c4cccc(OC)c4)ccc3=O)CC2)cc1 41252565 JPSNMYSAJPCXAY-UHFFFAOYSA-N 448.523 2.666 10 40 IFCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC 408799992 MMCNQFSLHNPALL-SFQUDFHCSA-N 438.436 2.937 10 40 IFCB CN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)NC1=S 408913054 KFGNOVMBYDUWHP-MDWZMJQESA-N 428.382 2.552 10 40 IFCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H](CO)Cc1ccccc1 9253751 PQEQHSLRRZCJDF-GXYBQNOFSA-N 426.563 2.998 10 40 IFCB CCc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1 15746338 YGWYOVIFRLGRKC-KNTRCKAVSA-N 447.626 2.679 10 40 IFCB COc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc(OC)c1 22418623 ZFTRZAAITUIJBK-HSZRJFAPSA-N 441.576 2.880 10 40 IFCB CCCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1809475 GBTRCCKHIPTSOZ-SEYXRHQNSA-N 441.328 2.926 10 40 IFCB COc1ccc(N2CCN(C(=O)COc3ncnc4c3cnn4-c3ccccc3)CC2)cc1 9635560 CLYZIPJGBTUEAK-UHFFFAOYSA-N 444.495 2.552 10 40 IFCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408872596 GYSDUZWIICMVDK-XDHOZWIPSA-N 444.509 2.839 10 40 IFCB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8687663 GTXSEHLWOBGWRN-UHFFFAOYSA-N 439.427 2.994 10 40 IFCB CC(/C=C1\SC(=S)N(CC(=O)NCCCN2CCOCC2)C1=O)=C\c1ccccc1 8820639 BBUROKYFXIEWDB-DPBMIUELSA-N 445.610 2.673 10 40 IFCB COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33718984 IQFGSYAKXUIRQV-DYTQJMLRSA-N 445.269 2.851 10 40 IFCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Br)cc1F 408589577 DVEGHXFGWPTKNF-MKMNVTDBSA-N 436.237 2.973 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(C)c1 22735681 PSPQDQZGGYDTRV-JOCHJYFZSA-N 429.586 2.648 10 40 IFCB O=C(NN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc([N+](=O)[O-])cc1 1831906 GSUMIPUTMQURSK-NVNXTCNLSA-N 429.435 2.870 10 40 IFCB Nc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 4365542 IWOSIGNANKUKIQ-VHEBQXMUSA-N 439.427 2.742 10 40 IFCB in-vitro COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)CC2)cc1 23818760 IWBDFEXHULOFHB-RUZDIDTESA-N 434.540 2.731 10 40 IFCB O=C(O)CCCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S 1765984 QNOCFQJQDFMPAT-VAWYXSNFSA-N 427.301 2.837 10 40 IFCB CCCCOc1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1OC 8821243 FCNHYUDPSQTJLJ-PTNGSMBKSA-N 431.557 2.963 10 40 IFCB CN1CCN([C@H](CNC(=O)Nc2ccc3c(c2)OCO3)c2ccc(N(C)C)cc2)CC1 22418614 CCTGZKPPOCLXEX-HXUWFJFHSA-N 425.533 2.592 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@H](C(C)=O)N21 101483689 OHJZXWILKAGHBT-ODAXIHTASA-N 446.459 2.599 10 40 IFCB CN1C(=O)C(=Cc2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C(=O)N(C)C1=S 408960515 GEDRGTNAGSGDPH-UHFFFAOYSA-N 433.489 2.987 10 40 IFCB CN1CCN([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccc(N(C)C)cc2)CC1 22937851 SEGJWZKNURQOTB-JOCHJYFZSA-N 434.540 2.578 10 40 IFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1 408952502 NZWHYBHDMRTNPR-LICLKQGHSA-N 446.375 2.781 10 40 IFCB COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1 409002587 VHWMGCQYOGETJD-UHFFFAOYSA-N 429.860 2.968 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1O[C@H](C)C(=O)O 409232105 GZTCYCGMDPFRKD-BTAWCLGRSA-N 444.827 2.867 10 40 IFCB COc1ccc2c(c1)CCCN2CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 32853396 CQMOGQUFLVVFLI-UHFFFAOYSA-N 432.542 2.548 10 40 IFCB O=C(O)CN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S 40221247 ZVEUOSSWRFPTGN-UVTDQMKNSA-N 439.474 2.773 10 40 IFCB COCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)C(=O)N(c2ccccc2)C1=O 409012154 IZYHCSAYSRSHGX-VKAVYKQESA-N 440.452 2.738 10 40 IFCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(OCC(=O)OC)cc3)C2=O)nc1C 8815823 AKBGLCIGQGUMLW-MHWRWJLKSA-N 443.481 2.986 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1O 18173404 WKAOYBPTTVWZQO-NTUHNPAUSA-N 433.283 2.995 10 40 IFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S 36613110 QRPGDQDDPOCFEL-ISAHRAOESA-N 446.300 2.674 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2902301 AYBWOJCCHKEQGJ-SWEABUAFSA-N 438.436 2.912 10 40 IFCB COC(=O)C1=C(C(=O)OC)C2(O[C@@H]1c1cccc(Cl)c1)C(=O)c1ccccc1C2=O 8396967 IGHCCQNMDDLYFT-QGZVFWFLSA-N 426.808 2.872 10 40 IFCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc1nc(Cl)ncc1F 9234504 OBRIETUUHPUIMS-UHFFFAOYSA-N 434.811 2.894 10 40 IFCB COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 16740729 XXHSFJBUXOJPHJ-XYSGSMRZSA-N 439.562 2.536 10 40 IFCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c1 10188280 OIMFHTLCAYAOPG-QFIPXVFZSA-N 437.544 2.603 10 40 IFCB O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@H]1CSC[C@@H]1O 36569716 LPTHVJWTDZMISO-DKZLBQRBSA-N 428.988 2.524 10 40 IFCB CCOc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccccc4OC)C3=O)sc2c1 408528287 FRLSECJPSPBAJF-ACCUITESSA-N 438.465 3.282 10 40 IFCB COC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)sc2c1CCCC2 408775630 IPXXXGCIMMGTFS-UHFFFAOYSA-N 443.550 2.735 10 40 IFCB Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1C 9193029 DGTJOMYUOOLRIE-OAQYLSRUSA-N 430.570 2.964 10 40 IFCB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 10188282 LXXZHBHTMOIKRR-QFIPXVFZSA-N 437.544 2.603 10 40 IFCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 16427973 PPLPUVBIDGIQAN-WQLSENKSSA-N 431.748 2.735 10 40 IFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S 51330790 BHIAVBCENULYJH-UJPCXNRSSA-N 446.506 2.610 10 40 IFCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1 408656574 FRQRPYWGFUAEAX-ACRUOGEOSA-N 432.476 2.731 10 40 IFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1 16488327 ZATZMBSIBMWDMF-UVTDQMKNSA-N 446.257 2.545 10 40 IFCB COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)ccc1OCC(=O)O 33455822 XSHMOFIMVIXOGV-ZSOIEALJSA-N 441.352 2.574 10 40 IFCB COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Br)c3)C1=O)OCO2 1131792 FLSUJOLZNPQSKR-WLRTZDKTSA-N 445.225 2.853 10 40 IFCB Cc1cc(P(=O)(N2CCOCC2)N2CCOCC2)c(C)n1-c1ccc(N(C)C)cc1 3216900 YXAMNUSQDHRLNW-UHFFFAOYSA-N 432.505 2.643 10 40 IFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3nc4ccccc4s3)nnc2n1 3299021 RRCMJMMUAJDQNT-UHFFFAOYSA-N 429.535 2.723 10 40 IFCB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(Br)cc(OC)c1O 28924179 HAXSNOVOOSICPL-SFHVURJKSA-N 434.290 2.500 10 40 IFCB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 224275967 ZBWDNJXMNPDVRN-QGZVFWFLSA-N 431.558 2.766 10 40 IFCB COc1ccc(OC)c(N2C[C@@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2SCCC3)c1 2965897 ANMQFEYBCJIBQX-JOCHJYFZSA-N 431.534 2.892 10 40 IFCB O=C(CSc1nn(-c2ccccc2)c(=S)s1)NCCN1C(=O)CSC1=S 9397593 KKGHUAQWVXPVCS-UHFFFAOYSA-N 442.638 2.732 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 9423817 MPGMMJMMBUVGGF-ZHHKINOHSA-N 447.447 2.891 10 40 IFCB C[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 103002195 NOXFJLUTTKVRKS-NLDJYOPPSA-N 435.263 2.992 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1OC 8800943 ZODNWOTVIHZNBW-NRFANRHFSA-N 445.585 2.812 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)c1 33526841 DFNWZEDJZXOWBG-LSPINASFSA-N 442.562 2.616 10 40 IFCB COC(=O)[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 108119349 LEVHFROYTXEWMU-SEJMYLSOSA-N 430.844 2.750 10 40 IFCB CCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccc(C)cn3c2=O)SC1=S 2401622 AKQZGEOSIVWCOE-UVTDQMKNSA-N 432.596 2.777 10 40 IFCB COc1ccccc1N1C(=O)/C(=C\NN2CCCC[C@H]2c2cccnc2)C(=O)N=C1S 8974639 HJMARDKJRNRNCR-WAIALKQBSA-N 437.525 2.865 10 40 IFCB COC(=O)c1ccc(C(=O)OC)c(N/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 9422629 JCDKAAHIASOLQK-ZENNRRHLSA-N 436.511 2.552 10 40 IFCB COCCN1C(=O)/C(=C/c2c(N3CCC[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 16700252 UFOYOMRYYQWHCZ-IZCBMXNHSA-N 444.582 2.778 10 40 IFCB O=C(OC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1)N1CCCC1 1667384355 MPZICDPYXSJWMX-OAQYLSRUSA-N 430.549 2.820 10 40 IFCB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S 33548621 YAMSNCPOQUKVPB-YVLHZVERSA-N 439.518 2.981 10 40 IFCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)NCCc2ccc(O)cc2)C1=O 9348181 CZZGIZNWRBNJCP-PDGQHHTCSA-N 428.535 2.961 10 40 IFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\N1CCN(c2ccccc2)CC1 408553114 XNAWNRUNUZVSBA-SSZFMOIBSA-N 444.919 2.933 10 40 IFCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 59426685 CIHRWQHKDFJMPC-QPEQYQDCSA-N 431.788 2.932 10 40 IFCB COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1I 408692583 PUWJAJWTZATBDX-XYOKQWHBSA-N 440.237 2.704 10 40 IFCB CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(=O)O)C1=O 16737106 XGUCBVURNWEFPI-UVTDQMKNSA-N 446.554 2.891 10 40 IFCB COc1cccc2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)nc12 54360835 BZTJAGAQKCKEPM-CJAAZZPWSA-N 432.479 2.763 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1O 408887501 OXOATWOWIYELCE-GHXNOFRVSA-N 433.283 2.995 10 40 IFCB COc1ccc(N2CCN(C(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)CC2)cc1 14396868 QQZDNYRTOMCDJO-UHFFFAOYSA-N 449.548 2.729 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CCOCC2)cc1 22998833 DRCZHXBABURIDJ-HXUWFJFHSA-N 430.936 2.534 10 40 IFCB Cc1ccccc1N1C(=O)/C(=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)N=C1S 102507675 ZLOOIPKTGDFTHS-LGMDPLHJSA-N 447.520 2.948 10 40 IFCB COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3O)C(=O)NC2=S)cc1 9934515 ZNVAEOCWTMOCSP-ZROIWOOFSA-N 433.283 2.995 10 40 IFCB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 23134862 KCUBWMDLLHBVPF-UHFFFAOYSA-N 446.433 2.648 10 40 IFCB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)C1=O 6599284 KPGUHUPRIGWKOC-UHFFFAOYSA-N 425.485 2.931 10 40 IFCB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 16913809 MYNUIQPGOWRDID-UHFFFAOYSA-N 434.473 2.965 10 40 IFCB COCCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2cccc(C)c2C)CC1 35292245 KARDVCWHCKECBW-DEOSSOPVSA-N 449.603 2.914 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)[C@@H](C)C(=O)N5CCC4)CC2)cc1 100914697 WQVNHHMYGHJIPV-MRXNPFEDSA-N 441.553 2.602 10 40 IFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1O 408550641 IQMWYDARKOPMPC-YFHOEESVSA-N 435.820 2.627 10 40 IFCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 116034762 APYQXGQSUGBXMY-UHFFFAOYSA-N 443.569 2.628 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C/NNc3ccc(Br)cc3)C2=O)cc1 408535500 YPROOEVVKSINIX-GDNBJRDFSA-N 431.246 2.541 10 40 IFCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)NCCO 16712592 PUMCQXRXVGALIO-PDGQHHTCSA-N 444.534 2.588 10 40 IFCB CCC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N([C@@H](C)CC)C2=O)[nH]c2ccccc12 9281262 DMMSJBWVRYFOOI-WIOAZZGGSA-N 426.542 2.662 10 40 IFCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1 409070735 GPTBINTXPAELJK-UHFFFAOYSA-N 441.248 2.511 10 40 IFCB CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 10113560 KHSMMLXKVTUVIT-UHFFFAOYSA-N 431.558 2.768 10 40 IFCB O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)C(=O)N1 59488778 FRZFCSDAMAKOKW-UHFFFAOYSA-N 434.452 2.803 10 40 IFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCC)C2=O)cc1 408808384 FWFQOVCIHLLVSA-LDADJPATSA-N 438.436 2.937 10 40 IFCB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3O)CC2)cc1 12780391 XEGVJVLVYHBEQG-UHFFFAOYSA-N 432.524 2.878 10 40 IFCB C[C@@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1cccc2c1C(=O)c1ccccc1C2=O 12139587 CDEJQZVZAKZQOT-FOIQADDNSA-N 429.544 2.856 10 40 IFCB COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@@H](/N=N/c2cccc(C(=O)O)c2)C1=O 104272631 HPSURSFLVVBABK-FYTMPNSFSA-N 437.412 2.619 10 40 IFCB Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)c1C 409249444 ILDBKDOJCOMQBJ-UHFFFAOYSA-N 427.844 2.724 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)o3)C2=O)cc1 1202623 PPVDEJOQHDPPCW-XYOKQWHBSA-N 438.177 2.559 10 40 IFCB COc1ccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCCC5)CC2)cc1 11613621 ZRYFFBQADADYOD-QGZVFWFLSA-N 440.569 2.516 10 40 IFCB CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 28048159 ZRRDCUVVFJSMCR-SEYXRHQNSA-N 441.328 2.862 10 40 IFCB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@H](CO)Cc1ccccc1 33539442 DSFFLPCDCUMNDU-GYKGCMEESA-N 430.526 2.747 10 40 IFCB Cc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc(N2CCOCC2)cc1 9235230 OIMQNDRZOOGJLX-FPYGCLRLSA-N 437.456 2.798 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCCCC3)ccc21 13007915 ACNPRMRWZDYFHV-QHCPKHFHSA-N 438.547 2.778 10 40 IFCB CN(C)CCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524849 QNVWXNRZXRIPFP-RUZDIDTESA-N 445.567 2.856 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cc(F)ccc3F)N3CCCC3)ccc21 8964105 OSZHVWOYNFQHGH-OAQYLSRUSA-N 428.483 2.849 10 40 IFCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OCC 96193332 ZXHHCZSKYGDQAS-PDGQHHTCSA-N 429.498 2.938 10 40 IFCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408767012 YIAJLJLVUKAODP-UHFFFAOYSA-N 447.407 2.939 10 40 IFCB O=S(=O)(c1ccc(NC(=S)NNc2ccccc2Cl)cc1)N1CCOCC1 3294057 GVOJKGGAQXXDTJ-UHFFFAOYSA-N 426.951 2.674 10 40 IFCB COc1cccc(/C=C2\SC(=O)N(CCC(=O)NCCc3ccc(O)c(O)c3)C2=O)c1 33536614 AXLXEYPGKQDOQH-UYRXBGFRSA-N 442.493 2.892 10 40 IFCB CCOc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 32109518 JTZAGZFKRLSRRN-UHFFFAOYSA-N 441.421 2.967 10 40 IFCB CCOC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 33705915 NTZNHRFVRYLXSK-YBEGLDIGSA-N 430.844 2.752 10 40 IFCB CCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 26532032 KCMIBVRRVUWOAZ-BVTUPMQUSA-N 427.569 2.872 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 33539592 HZWAEZPTVWLYNT-DAQNXSASSA-N 442.562 2.616 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OC 409221348 PACRNYCYJIPXSH-NTUHNPAUSA-N 446.257 2.918 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCCC3)ccc21 8964104 FJWTUFTYUXBPBP-NRFANRHFSA-N 428.483 2.849 10 40 IFCB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1 13647831 JSESXMWSSDFHCZ-UHFFFAOYSA-N 443.569 2.546 10 40 IFCB COc1ccc(N(C)CCC(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1 257302424 SCXGPCMFFLZKGQ-QGZVFWFLSA-N 437.544 2.545 10 40 IFCB CN1CCN([C@H](CNC(=O)NCCCc2ccccc2)c2ccc3c(c2)CCN3C)CC1 38517981 RGWMQWUOOHCVJN-RUZDIDTESA-N 435.616 2.899 10 40 IFCB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccccc21 44910742 SWCTVECXQLEGIA-QFIPXVFZSA-N 443.569 2.910 10 40 IFCB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 224769606 JBQOZOUBHSJCPD-GOSISDBHSA-N 445.585 2.868 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409244927 KQOMUSUXEZINJV-YBFXNURJSA-N 430.420 2.854 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(F)c3)N3CCCC3)ccc21 8964114 WMGSOHSIUFNLAP-NRFANRHFSA-N 428.483 2.849 10 40 IFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2F)C(=O)[C@H]1/N=N\c1ccccc1[N+](=O)[O-] 104293452 UCSDHAYQLGLXSW-KYAFNBKBSA-N 426.364 2.960 10 40 IFCB CCN(CC)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 26534045 SWOYTVJKOFNSJQ-XSFVSMFZSA-N 436.512 2.635 10 40 IFCB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)N1CCCCC1 113939976 CJHXAXBQWLYFHM-UHFFFAOYSA-N 431.558 2.866 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 409218793 HBPBQKHLAADWGN-UHFFFAOYSA-N 429.885 2.580 10 40 IFCB C/C(NCCN1CCOCC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17099524 PRJLUBZGKIJCLR-FXBPSFAMSA-N 435.484 2.542 10 40 IFCB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3cccs3)N3CCCC3)ccc21 9135570 RLADXZWLTOSVKM-OAQYLSRUSA-N 426.586 2.700 10 40 IFCB COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCC1 9338910 CFUKKTVXMUIGPF-UHFFFAOYSA-N 431.558 2.818 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3C)C2=O)c(OC)c1 9427077 UKLXZEBJXWSPRW-OQLLNIDSSA-N 426.425 2.696 10 40 IFCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 1824966 ZKDHZPONEPDKTD-MNJKBJKMSA-N 447.560 2.864 10 40 IFCB COCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2672003 YAEOCIQJMJWTTM-VBKFSLOCSA-N 444.582 2.841 10 40 IFCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/NCCC3=CCCCC3)C2=O)cc1OC 6092010 LWOMOJXTYIMZHB-SDXDJHTJSA-N 427.501 2.689 10 40 IFCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CC(=O)N2CCCC2)c2ccccc12 409206859 QOCZNOKCPVVGCW-UYRXBGFRSA-N 434.496 2.668 10 40 IFCB COc1ccc(N2CCN(C(=O)COc3cc(O)c4c(c3)OC(C)(C)CC4=O)CC2)cc1 9061036 DWGPBNZFOXGGFJ-UHFFFAOYSA-N 440.496 2.872 10 40 IFCB COc1ccc(N2CCN(C(=O)CN3C(=O)/C(=C/c4ccco4)SC3=S)CC2)cc1 54360891 SEUMMKNMUSIQHF-AQTBWJFISA-N 443.550 2.838 10 40 IFCB O=C(C[C@@H](c1ccccc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 96221496 HTYGTRUKSMNXEQ-SFHVURJKSA-N 445.475 2.692 10 40 IFCB biogenic COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c2C)sc(C)c1C 409198470 GKPGTFAESYZJGF-ZSOIEALJSA-N 431.539 2.816 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)ccc1O 1811848 GSKGEQJPCDEOAS-DHDCSXOGSA-N 431.451 2.855 10 40 IFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)[nH]c2ccccc12 9209666 QOGWIUGJLQMDTL-UYRXBGFRSA-N 446.532 2.986 10 40 IFCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 409230570 FNZRJICVJCRTLO-MHWRWJLKSA-N 434.364 2.925 10 40 IFCB CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)sc(C)c1C 408992370 ASKHDZMBCWRHNM-UHFFFAOYSA-N 431.539 2.863 10 40 IFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 10232809 DJFKKVWGDIOYDZ-OBTCNRAFSA-N 448.434 2.984 10 40 IFCB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 21886894 ULXAUWDETZHRSJ-DEOSSOPVSA-N 439.556 2.890 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 223236536 HOGLZMJFQNAENJ-UHFFFAOYSA-N 448.545 2.832 10 40 IFCB COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504245 NNJLHBBQHFVECC-OAQYLSRUSA-N 442.951 2.893 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/[C@H]3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 18271935 IJALCABBFBHNFQ-ZJYZBMPFSA-N 432.436 2.633 10 40 IFCB COC(=O)[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 108119356 LEVHFROYTXEWMU-HMHNVIDESA-N 430.844 2.750 10 40 IFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 408742293 QNTHTOOARRMBMU-OQLLNIDSSA-N 427.438 2.833 10 40 IFCB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 3196538 LTLVTBHLMZFTJT-QBQSQJOESA-N 430.301 2.968 10 40 IFCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CCN3CCOCC3)C1=O)O[C@@H](C)C2 12569073 BADYHDFLUBLECC-QIQQCEGHSA-N 434.583 2.942 10 40 IFCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408752721 JSXRKCXKQAAWKA-WQRHYEAKSA-N 446.506 2.878 10 40 IFCB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)no1 9138088 UBELLZMGAJNZQF-FQEVSTJZSA-N 425.533 2.647 10 40 IFCB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22735743 LEWLRQXYRUGJFU-QFIPXVFZSA-N 429.586 2.648 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 22735678 HIUAXHBCJPHGQU-QHCPKHFHSA-N 429.586 2.648 10 40 IFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2F)C(=O)[C@H]1/N=N/c1ccccc1[N+](=O)[O-] 102942797 UCSDHAYQLGLXSW-CCWVLBSLSA-N 426.364 2.960 10 40 IFCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 408876098 MSEUENHAZMDICF-MTJSOVHGSA-N 449.507 2.858 10 40 IFCB COc1ccccc1/C=C1\SC(=S)N([C@H](C)C(=O)NCCCn2ccnc2)C1=O 9187741 NNBVQVPFGOESDX-MTOJCTJASA-N 430.555 2.688 10 40 IFCB COC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 9259568 CCPGKKBAIRHHAD-YBFXNURJSA-N 448.435 2.972 10 40 IFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 102643834 KPFAYZOKNVQHFR-KFTUFQOYSA-N 442.858 2.847 10 40 IFCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@](O)(C(=O)OC)C(F)(F)F)c2C)c1 3208041 GGUKQLIEZXOXON-IBGZPJMESA-N 443.374 2.590 10 40 IFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCc3ccccc3)N3CCCC3)ccc21 9135668 SWSDAEMVHKELIK-DEOSSOPVSA-N 434.584 2.681 10 40 IFCB CCCCN1C(=O)/C(=C\c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 34771143 RBVISQAJZOKMHR-DTQAZKPQSA-N 444.582 2.841 10 40 IFCB CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc([C@H]2CCS(=O)(=O)C2)n(C)c1=S 40155474 TYFUEUVZUXMOSE-KRWDZBQOSA-N 437.635 2.787 10 40 IFCB CCn1cc([C@@H]2CC(c3ccccc3O)=NN2c2ccc(S(N)(=O)=O)cc2)c(C)n1 95101253 GNORNHDHQBMRCL-FQEVSTJZSA-N 425.514 2.920 10 40 IFCB COCC(=O)N1CCN(Cc2c(O)c(C(=O)NCc3ccccc3)cc3ccccc23)CC1 95361063 MMFXXLRZHHDCHA-UHFFFAOYSA-N 447.535 2.766 10 40 IFCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 2309332 QJJDCBWPTGITFV-NBVRZTHBSA-N 438.528 2.712 10 40 IFCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 409232410 HGZRZPOKJUYGDF-UDWIEESQSA-N 444.447 2.942 10 40 IFCB C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4030266 LWSXAOWOZRUQPG-LPHOPBHVSA-N 434.533 2.875 10 40 IFCB Nc1c(C(=O)OCC(=O)NCCc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 9579824 GEBSLIRUYUSZPR-UHFFFAOYSA-N 428.444 2.560 10 40 IFCB CCN(C(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 15811902 ZOIMTGXHQRSPMI-MJGOQNOKSA-N 432.542 2.675 10 40 IFCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(I)c2)C1=O 14132822 NSQBDZOKHQPSQD-XYOKQWHBSA-N 448.216 2.972 10 40 IFCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 57512221 RELQPEDRGLXOCE-FQEVSTJZSA-N 435.524 2.947 10 40 IFCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nc(Br)nc1Br 72307040 OZXXRFJZINKGKJ-UHFFFAOYSA-N 431.132 2.528 10 40 IFCB CN(C)c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)cn1 72311857 XXMBIWHYVQGNQZ-UHFFFAOYSA-N 432.527 2.646 10 40 IFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409225889 SGJBDYWOKUEDMH-UHFFFAOYSA-N 443.843 2.506 10 40 IFCB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409214205 RNTVRYOWVQKTDF-MFVBVHDHSA-N 449.485 2.809 10 40 IFCB Cc1ccccc1N1C(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)NC1=S 19996752 HCGCEXDCZPJIKQ-HMMYKYKNSA-N 434.565 2.881 10 40 IFCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1ccc(C)cc1 9659790 OFUMYDRAEQSMQA-UHFFFAOYSA-N 426.494 2.766 10 40 IFCB CN(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 15831340 DCTGTICXFBUCKM-GOSISDBHSA-N 440.521 2.689 10 40 IFCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC1CC1 1078750 JTSUKUQHQPNEPH-UDWIEESQSA-N 442.475 2.582 10 40 IFCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCc1ccc(S(N)(=O)=O)cc1 17823596 FXJXJQAGEWSITA-RGEXLXHISA-N 430.505 2.692 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccccc1F 59536083 BKOAGWLPKLSQEX-UHFFFAOYSA-N 449.232 2.925 10 40 IFCB [N-]=[N+]=NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 96503453 AGVABWOMXXXMSG-UHFFFAOYSA-N 439.362 2.915 10 40 IFCB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408956827 YPDZQSUFOKIPRY-LFYBBSHMSA-N 430.800 2.752 10 40 IFCB Cc1cc(C)c(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c(C)c1 22395420 YJIFCPMNDYCQFV-UHFFFAOYSA-N 445.585 2.531 10 40 IFCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)C1 260455463 UDOOSWPQAJKKDS-DLBZAZTESA-N 441.553 2.945 10 40 IFCB COC(=O)C1=C(C(=O)OC)C2(O[C@H]1c1cccc(Cl)c1)C(=O)c1ccccc1C2=O 8396968 IGHCCQNMDDLYFT-KRWDZBQOSA-N 426.808 2.872 10 40 IFCB COc1ccc(N2CCN(C[C@@H](O)CN3CCC(c4c[nH]c5ncccc45)CC3)CC2)cc1 95466767 CUGWDVAWWONNID-QFIPXVFZSA-N 449.599 2.934 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NN3CCCC[C@@H]3c3cccnc3)C2=O)cc1 9335084 MEJTZRSTFHVSQT-ZWUNQBBJSA-N 435.484 2.679 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1 23266247 DVENYGDSCYNACZ-UHFFFAOYSA-N 438.459 2.526 10 40 IFCB C[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)NCCc1ccccc1 36874302 HSULIWIKLQBHMD-HNNXBMFYSA-N 442.471 2.948 10 40 IFCB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 48356388 ALFWNHGYEQPIAJ-GOSISDBHSA-N 444.601 2.616 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H](C(C)=O)N21 101482259 MPGMMJMMBUVGGF-FVTFTPSCSA-N 447.447 2.891 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1OC 409394314 YNJUCSVUIRWPNT-MDWZMJQESA-N 446.257 2.918 10 40 IFCB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 56997523 PSZLYSKPVUTRAI-UHFFFAOYSA-N 427.929 2.588 10 40 IFCB COc1ccc(N(C)CCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 224402763 HFYNSDVJCQWUHA-UHFFFAOYSA-N 431.558 2.800 10 40 IFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O 13590388 QLLWECDHBOCTHF-YBEGLDIGSA-N 440.818 2.830 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409234916 ARCXQABPRIFQRY-QGOAFFKASA-N 437.521 2.672 10 40 IFCB CCOc1ccc(NC(=S)NNc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 10213450 BQLABOOHTVXIIY-UHFFFAOYSA-N 428.566 2.784 10 40 IFCB O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@H]1O 36569717 LPTHVJWTDZMISO-CWFACMBSSA-N 428.988 2.524 10 40 IFCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@H](CO)Cc1ccccc1 8995197 PQEQHSLRRZCJDF-OWBBTNHHSA-N 426.563 2.998 10 40 IFCB CCN(CCO)C(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 9030146 MGIFXIRNAPAMPK-KAMYIIQDSA-N 443.388 2.881 10 40 IFCB N#CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] 34909774 VYMSMQQCNYMSQI-ZROIWOOFSA-N 443.213 2.721 10 40 IFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 96306232 XERSBYXFZUFAMF-OBTCNRAFSA-N 447.446 2.774 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)O 408991811 QZVVNPMAFBRJOD-CXUHLZMHSA-N 440.477 2.607 10 40 IFCB CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S 409392434 PKYBUSPOWLARAV-LDADJPATSA-N 432.505 2.927 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c(OC)c1 8801041 BPMUFSJVRBTNGH-NRFANRHFSA-N 445.585 2.812 10 40 IFCB CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nc2ccsc2c1=O 27825725 UGAKKLOHAUPVTD-UHFFFAOYSA-N 444.582 2.927 10 40 IFCB COc1cccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)c1 33526612 JAYCOHULBIZOCE-LZYBPNLTSA-N 444.490 2.939 10 40 IFCB CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCC(=O)N1CCOCC1 409200165 HGIDDRKZLSJDCW-SFQUDFHCSA-N 436.555 2.544 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O[C@H](C)C(=O)O 409241495 XXNAVPJYVCQOJX-BVRAVYJCSA-N 444.440 2.518 10 40 IFCB CN1CCN([C@H](CNS(=O)(=O)c2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1 22735802 WADKSFFSCSIVLJ-OAQYLSRUSA-N 449.020 2.599 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Br)c1O 409392463 MSWCQEKOGYWQLA-KPKJPENVSA-N 432.230 2.615 10 40 IFCB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O 12595617 PYVCZVSNMYWOIH-UHFFFAOYSA-N 441.576 2.641 10 40 IFCB COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 33349116 NMMAWNIPTHFWLX-FMVWKBIMSA-N 442.478 2.712 10 40 IFCB O=C(O)CSc1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2c1O 1893413 ZMGMOZZFQRJWKX-UHFFFAOYSA-N 445.478 2.693 10 40 IFCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(SCc4ccco4)o3)C(=O)N=C2S1 41077728 JYXFZPZPDGEVAD-JPEQSOJWSA-N 436.496 2.786 10 40 IFCB Cc1nc(N2CCCC2)ncc1-c1ccnc(N2CCN(c3ccc4c(c3)OCO4)CC2)n1 54202128 DKHHFXGCGWSADE-UHFFFAOYSA-N 445.527 2.898 10 40 IFCB CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)c2cc(S(=O)(=O)N3CCOCC3)ccc21 59186092 MYVMCLOSEAIIRI-QNGOZBTKSA-N 441.553 2.681 10 40 IFCB COCCN1CC=CC[C@@H](C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C1=O 72371082 KBVUKHFJKPUMFY-QFIPXVFZSA-N 445.579 2.925 10 40 IFCB COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(OC)cc2)CC1 13504244 NNJLHBBQHFVECC-NRFANRHFSA-N 442.951 2.893 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2Cl)cc1 408911319 MWXFCBPKOHYSKE-OQLLNIDSSA-N 443.912 2.922 10 40 IFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(O)c(Br)c1 408956692 XYPYSGYTIKZZMK-VZUCSPMQSA-N 431.198 2.550 10 40 IFCB CN(C)S(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 58168985 DPOXWQHDSPXMPS-SFHVURJKSA-N 433.530 2.856 10 40 IFCB NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1750309 CPAIKBRQYQVSHT-VBKFSLOCSA-N 447.563 2.564 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)c(OC)c1 8798880 BHZVSBQHBMIXTD-FQEVSTJZSA-N 433.574 2.667 10 40 IFCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1 408731084 KJPUJMGOBJAWKM-MNJKBJKMSA-N 447.560 2.973 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)O 409050121 ZBIYQARVKIQNKI-RIYZIHGNSA-N 444.827 2.869 10 40 IFCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)c(Br)cc1O 409213350 SSKBNCRHXDKBPF-XGICHPGQSA-N 432.317 2.928 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCCC3)ccc21 8964035 FWABTVPQCUYVLR-JOCHJYFZSA-N 440.975 2.902 10 40 IFCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)o1 34721038 VBDYGMBFBVIQHP-ZROIWOOFSA-N 448.273 2.988 10 40 IFCB Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3nc4c(S)nc(N)nc4[nH]3)cc2)s1 104143448 IUDDFJPMXCWYOC-DQRAZIAOSA-N 448.519 2.600 10 40 IFCB COC(=O)CN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 409215749 AOWMKFITPLELOK-WDZFZDKYSA-N 432.317 2.841 10 40 IFCB CCOCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 9127179 DHTDJBWOCKHMKI-UHFFFAOYSA-N 429.448 2.633 10 40 IFCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1OC 409251222 UCRVVPXKZSWNEB-NTUHNPAUSA-N 432.230 2.528 10 40 IFCB O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)N1CCN(c2ccccc2)CC1 8705797 YWMUVBQBFVVINF-UHFFFAOYSA-N 432.501 2.973 10 40 IFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 13073897 DJFKKVWGDIOYDZ-CWZJEYLYSA-N 448.434 2.984 10 40 IFCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccccc3Cl)C(=N)N21 13660087 AXOJXUIKVYEEHL-SKGSMITLSA-N 433.902 2.752 10 40 IFCB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccccc21 20459471 LQWTXUKCOVGXGV-NRFANRHFSA-N 429.542 2.520 10 40 IFCB COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3-n3cnnc3)CC2)cc1 32646741 AFZYKAAKROEFSW-UHFFFAOYSA-N 427.892 2.657 10 40 IFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C1=O 9731078 NJHINKJXLCCGNM-XDUBLRSXSA-N 438.436 2.776 10 40 IFCB Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409124472 KPNYWXHRPSTVRT-BOPFTXTBSA-N 441.513 2.526 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1O[C@@H](C)C(=O)O 409232109 GZTCYCGMDPFRKD-ZRRZQRFHSA-N 444.827 2.867 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)CC2)cc1 20647206 FFIUYOJRBXFWMM-QGZVFWFLSA-N 425.489 2.564 10 40 IFCB CN1CCCc2cc([C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)N3CCOCC3)ccc21 35597181 OFBHFAKSTWPBCG-OAQYLSRUSA-N 438.528 2.993 10 40 IFCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)C1 219267030 UDCJTGLPSYPGCQ-QWFCFKBJSA-N 436.622 2.619 10 40 IFCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 409174417 SODKBRYFXGFDEQ-LFIBNONCSA-N 449.488 2.654 10 40 IFCB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 23134859 UJJWXESXTBYQJO-UHFFFAOYSA-N 446.433 2.648 10 40 IFCB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 102653172 GFSXAHBKNNLHDY-YBEGLDIGSA-N 443.257 2.986 10 40 IFCB CC1=NN(c2ccccc2)C(=O)/C1=C\NCCN/C=C1/C(=O)N(c2ccccc2)N=C1C 102570880 CSZNXZVGKNLAPH-KBNZVFGVSA-N 428.496 2.779 10 40 IFCB COc1ccc(N2CCN(C[C@H](O)CN3CCC(c4c[nH]c5ncccc45)CC3)CC2)cc1 95466766 CUGWDVAWWONNID-JOCHJYFZSA-N 449.599 2.934 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)N4CCCCC4)cc3)C2=O)cc1 408533068 NZXHSNIQZZUBCR-HKWRFOASSA-N 448.479 2.900 10 40 IFCB CCC(=O)N[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1)C(Cl)(Cl)Cl 26967539 RIKRVPOIQODLEQ-AWEZNQCLSA-N 434.663 2.878 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 224252970 YMDIXWJKUWISTD-NRFANRHFSA-N 431.558 2.766 10 40 IFCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 33695033 YSNBKSQZOSIGCL-OQLLNIDSSA-N 431.451 2.855 10 40 IFCB COc1ccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCCC5)CC2)cc1 11613622 ZRYFFBQADADYOD-KRWDZBQOSA-N 440.569 2.516 10 40 IFCB COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 77200025 JUFRDNYMBJKMER-NRFANRHFSA-N 427.476 2.849 10 40 IFCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 409192408 WWSHRDAWUGKRNE-XNTDXEJSSA-N 426.450 2.623 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc([N+](=O)[O-])c1O 409329417 FSNMWFVFFVZAIH-KPKJPENVSA-N 437.480 2.917 10 40 IFCB COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 6058817 NMMAWNIPTHFWLX-WJNHLLBISA-N 442.478 2.712 10 40 IFCB COc1ccc(N2CCN(CCNc3cc(C)nc4nc(-c5ccco5)nn34)CC2)cc1 15780341 RHGTTXZNLANYEH-UHFFFAOYSA-N 433.516 2.935 10 40 IFCB COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccco4)n3)CC2)cc1 9573748 KMHHPAZEVRCGAX-UHFFFAOYSA-N 426.498 2.888 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)c(OC)c1 16914810 JLANDKDLPHRXKN-FQEVSTJZSA-N 433.574 2.885 10 40 IFCB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589520 KNJDYJZBVNCTMZ-QFIPXVFZSA-N 430.618 2.636 10 40 IFCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408850858 SJELEPLYXKZAPN-OVCLIPMQSA-N 425.397 2.895 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccn1 408948341 FNXUCCZEGBKNHR-LICLKQGHSA-N 430.420 2.884 10 40 IFCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 409231802 MGZOMPKSIRBRPS-QGOAFFKASA-N 438.459 2.966 10 40 IFCB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 9210101 SDCUKTCFDLOLLH-JXFKEZNVSA-N 434.533 2.875 10 40 IFCB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 10113644 BQXLKIUAZSIAAV-UHFFFAOYSA-N 446.529 2.586 10 40 IFCB CCOC(=O)c1c(NC(=O)C[C@@H](NCCN(CC)CC)C(=O)O)sc2c1CCCC2 22785899 WKKUQKOZFFBOHR-OAHLLOKOSA-N 439.578 2.517 10 40 IFCB COc1ccc(N2CCN(c3nnc(SCC(=O)Nc4cc(C)on4)s3)CC2)cc1 23139996 DYBFYOPKEUZLRK-UHFFFAOYSA-N 446.558 2.901 10 40 IFCB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1NC(C)=O 223085289 LNVPGMWWZBXEOU-UHFFFAOYSA-N 435.571 2.682 10 40 IFCB COc1cccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 2699403 KHMLYTYTHFPVOR-SFQUDFHCSA-N 434.564 2.787 10 40 IFCB COc1cc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)ccc1OCC(N)=O 9188773 GXOTWXLAVQQCIB-PDGQHHTCSA-N 444.534 2.840 10 40 IFCB COc1ccc(N2CCN(CC(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1 12556441 ZUKMZNJVBOBFGU-UHFFFAOYSA-N 442.991 2.815 10 40 IFCB Cc1cccc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N(C)C)ccc3=O)c2C)c1 48345527 JNCVCGIFLYXWDP-UHFFFAOYSA-N 427.526 2.697 10 40 IFCB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1NC(=O)CC 408696368 AMYGEEPLKKHLFF-UHFFFAOYSA-N 447.557 2.953 10 40 IFCB CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3OC)OCO4)C(=O)NC2=S)cc1 686521 HRUPYIXJNYIOQT-OVCLIPMQSA-N 426.450 2.654 10 40 IFCB CCCN1C(=O)/C(=C/c2c(N[C@H](CC)CO)nc3c(C)cccn3c2=O)SC1=S 1480732 QJJUNVNUAINWRI-NWFCWYBLSA-N 432.571 2.797 10 40 IFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C1=O 9731080 NJHINKJXLCCGNM-KWWJGWKXSA-N 438.436 2.776 10 40 IFCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cc(OC)ccc1OC 408993994 XYLGRPXKBNEAEK-UHFFFAOYSA-N 442.493 2.596 10 40 IFCB CCC(=O)N[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1)C(Cl)(Cl)Cl 26967548 RIKRVPOIQODLEQ-CQSZACIVSA-N 434.663 2.878 10 40 IFCB CCN1C(=O)/C(=C/c2cc(C)n(C[C@H]3CCCO3)c2C)c2cc(S(N)(=O)=O)ccc21 409197855 QGPBXAHNMXPVLY-MLHZQLSASA-N 429.542 2.838 10 40 IFCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 9462731 UODAHGZUSLOUFG-CYUIRQCWSA-N 440.477 2.769 10 40 IFCB COc1ccc(N2CCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)CC2)cc1 21756268 MRKCPWKFAKZZHE-UHFFFAOYSA-N 429.542 2.588 10 40 IFCB CCCCOc1ccc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1OC 27533471 FCNHYUDPSQTJLJ-RVDMUPIBSA-N 431.557 2.963 10 40 IFCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 106336355 XTFAYFGKFZCSCB-NNTXRKGQSA-N 427.463 2.518 10 40 IFCB COCCN1C(=O)CCC[C@@H]2[C@H]1CCCN2CC1(O)CCN(c2ccc(OC)cc2)CC1 585285068 VTHVJTWGTVEUSL-DHIUTWEWSA-N 445.604 2.518 10 40 IFCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1 2305891 ZVVBXGFHIDNLGW-RVDMUPIBSA-N 446.257 2.545 10 40 IFCB CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713438 HXNTWUJIJJJLMJ-JOCHJYFZSA-N 445.585 2.897 10 40 IFCB C[C@H](C(=O)N(C)C[C@@H](O)c1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S 33589227 GEYLAKDAPIRPEN-MVKJJVDBSA-N 432.523 2.767 10 40 IFCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4nc[nH]n4)c4ccccc34)[C@H]21 1565524266 DCFYBTZPBZQVIH-QFIPXVFZSA-N 441.495 2.935 10 40 IFCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 9259518 XRIUBXAYSGWDNT-XDHOZWIPSA-N 445.541 2.963 10 40 IFCB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OC(C)=O 13915275 CSMIIYIPBVTBDE-YHYXMXQVSA-N 435.264 2.714 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 225069709 JYWNHCJQGRYHGU-INIZCTEOSA-N 448.545 2.912 10 40 IFCB CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C(=O)NC1=S 408915062 UGBXGJHPPCSWFT-NTEUORMPSA-N 429.885 2.614 10 40 IFCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 409379281 VQLFGGJBCRGOOZ-RIYZIHGNSA-N 427.438 2.703 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1C 409254698 FCXIKOONQMTOGT-UHFFFAOYSA-N 443.912 2.889 10 40 IFCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(C)=O 666803 BWGCISNZZRBMKZ-ZSOIEALJSA-N 431.242 2.844 10 40 IFCB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 6078074 ICIJSHMTDYBRSB-UHFFFAOYSA-N 445.585 2.665 10 40 IFCB CCCCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1\SC(=S)N(C)C1=O 100500480 CENFNNIELMFSIC-KSZVWNROSA-N 449.648 2.616 10 40 IFCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 9264578 VKIQOGISLGMAOH-CPNJWEJPSA-N 438.459 2.502 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)O 12381046 VYFPHMFAAXSXCZ-NASPGAHYSA-N 444.440 2.518 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OC(C)C)c(OC)c3)CC2)cc1 12640594 XDBUQVIYFZXYAE-UHFFFAOYSA-N 442.512 2.997 10 40 IFCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1 408527538 DQBHAFJVZKBFMC-VKAVYKQESA-N 431.500 2.739 10 40 IFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(C)CC1 408528120 FFXPKHJGRJFKIP-LGMDPLHJSA-N 449.490 2.878 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409230143 BWNIZYVCZSTLAJ-UNOMPAQXSA-N 438.440 2.533 10 40 IFCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 12957318 XTFAYFGKFZCSCB-SDKXQZNBSA-N 427.463 2.518 10 40 IFCB Cc1cc(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1F 10525989 GSRGHCVTCMZESX-UHFFFAOYSA-N 430.457 2.920 10 40 IFCB O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCC(c2ccccc2)CC1 59488643 FCTPJZVDBKMPRF-UHFFFAOYSA-N 436.493 2.893 10 40 IFCB COc1ccc(N2CCN(C(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)CC2)cc1 408694390 FMGCJWMOJXZMOI-UHFFFAOYSA-N 445.585 2.899 10 40 IFCB O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(Cl)cc1 9846152 RDKUZEYMUMAUFE-UYRXBGFRSA-N 440.887 2.708 10 40 IFCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(C)c2)c1=O 100925619 RVLAAWXBUNQOMC-PDGQHHTCSA-N 430.464 2.963 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)N4CCCC4)cc3)CC2)cc1 408596541 WPKZBRCZQJARMA-UHFFFAOYSA-N 444.557 2.834 10 40 IFCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 408881845 OSMOPICDFLCXNW-RIYZIHGNSA-N 444.827 2.897 10 40 IFCB CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)cc1 18179154 TYGQGXXZAJLTCW-BOPFTXTBSA-N 427.457 2.742 10 40 IFCB CCOc1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1OC 33366791 JFGFDIIAGKTZJU-LUHPIMIVSA-N 425.484 2.613 10 40 IFCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccco1 408731793 PUXCUZSXABHMAK-LVSKKATPSA-N 437.521 2.566 10 40 IFCB COc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)C(=O)NC1=S 409167787 NDLMSBWBSNOWQQ-XNTDXEJSSA-N 435.461 2.566 10 40 IFCB CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)N3CCCC3)ccc21 8801008 WRMBYKGYUFAZCV-OAQYLSRUSA-N 443.569 2.566 10 40 IFCB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)SC1=S 409203048 UVPPCNFHCDKIAZ-XGICHPGQSA-N 432.317 2.841 10 40 IFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(N)=O)C2=O)cc1Cl 409219505 NGXLMEONRYXXOV-VGOFMYFVSA-N 448.262 2.832 10 40 IFCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 8740444 SRMQPPJTSNXABZ-AKMXKPQHSA-N 425.876 2.934 10 40 IFCB biogenic Cc1ccc(N(C[C@@H](O)[C@H](O)[C@H](O)CO)/N=N/c2ccc(Br)cc2)cc1C 8934245 SFBGWEUXXNRFNC-XRRWRBOQSA-N 438.322 2.646 10 40 IFCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCC(OC)OC)cc1 17094428 DCRSKXKHYAOSFS-QNGOZBTKSA-N 425.485 2.937 10 40 IFCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1Br 409391685 KQILIJRXGIDWHX-YRNVUSSQSA-N 427.320 2.893 10 40 IFCB O=C1NC(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C(=O)N1 9259574 KIFBFMQCRFFKLE-UHFFFAOYSA-N 446.213 2.686 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(Cl)c4c(c3)OCO4)CC2)cc1 23265466 GINSACNCWNPQHD-UHFFFAOYSA-N 432.860 2.583 10 40 IFCB COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 56997820 OHEQLVFEMQCNHT-UHFFFAOYSA-N 430.936 2.534 10 40 IFCB O=C1NC(=O)C(=Cc2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N1 409066334 BVSWLIMWGVJZPD-UHFFFAOYSA-N 441.248 2.511 10 40 IFCB CC(C)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 2258019 KQJAKLOOZXBLLW-UVTDQMKNSA-N 446.554 2.828 10 40 IFCB COc1ccc(OC)c(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2SCCC3)c1 2965901 QKWLUIXVAYCQNA-JOCHJYFZSA-N 429.518 2.646 10 40 IFCB COc1ccccc1N1C(=O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(=O)N=C1S 8974638 HJMARDKJRNRNCR-YHKKIHSWSA-N 437.525 2.865 10 40 IFCB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 9459212 SOHDLQURRSVBNB-OAQYLSRUSA-N 430.570 2.964 10 40 IFCB O=C1N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409142353 YISWJMZDJDFQPK-PDGQHHTCSA-N 426.404 2.663 10 40 IFCB CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O 8870103 FYMGBXJNHNLOPL-NMXNEJDKSA-N 436.555 2.902 10 40 IFCB C[C@]12CC[C@@H]3c4c(-n5cnc6nc(N)[nH]c(=O)c65)cc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O 34012533 LBPGOOJJEWNDMR-MQGMTOSNSA-N 435.484 2.527 10 40 IFCB in-vitro COc1cc(N2CCOCC2)ccc1CN(CCCN1CCOCC1)Cc1cccnc1 13569079 DBDMOGGBCCSQKE-UHFFFAOYSA-N 440.588 2.651 10 40 IFCB Cc1cc(C(=O)CN2CCOc3ccccc32)c(C)n1-c1ccc(S(N)(=O)=O)cc1 63494916 PEKVXVROQRBUBA-UHFFFAOYSA-N 425.510 2.823 10 40 IFCB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1ccc(N(C)C)cc1 18215522 ZIJBJQYYOCSNQN-ZDUSSCGKSA-N 429.464 2.755 10 40 IFCB Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccc(NS(C)(=O)=O)cc1 65607094 TUBPQGKZVYJIAE-UHFFFAOYSA-N 430.555 2.867 10 40 IFCB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(N(C)C)cc1 9468947 SQIZNYXGIUYTBD-GOSISDBHSA-N 444.601 2.996 10 40 IFCB CNc1nc([C@H]2CCCN2C(=O)CCN(C)c2ccc(OC)cc2)nc2c1CCN(C)C2 19707119 ICYZCYUJWOEGHK-OAQYLSRUSA-N 438.576 2.705 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)ccc1O 27229110 WWJAAMDMMHZFTK-OVCLIPMQSA-N 431.451 2.855 10 40 IFCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)CC1 219266815 FVQSHRSLAHGLTC-UYAOXDASSA-N 436.622 2.619 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(NC3=NS(=O)(=O)c4ccccc43)C2=O)cc1 12285190 SGTXRBGQCZDJNK-GXDHUFHOSA-N 431.520 2.550 10 40 IFCB COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3C[C@H]3CCCO3)CC2)cc1 13504348 KAMHOXMFCRPMFI-PKTZIBPZSA-N 434.544 2.772 10 40 IFCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 57512226 RELQPEDRGLXOCE-HXUWFJFHSA-N 435.524 2.947 10 40 IFCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(Cc2ccccc2Br)c1 408874440 BKPKJKXYOZCRNK-UHFFFAOYSA-N 431.311 2.963 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 409015039 RAOWZHJRLCQQOP-NGWPFTMJSA-N 438.436 2.830 10 40 IFCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)cc1 409148195 XPDFORDIAVKYRC-UYRXBGFRSA-N 438.459 2.502 10 40 IFCB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCCCC2)cc1 11907213 IDOFQPRNASJGTP-FQEVSTJZSA-N 431.558 2.987 10 40 IFCB O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 16741249 QLBJGPQTYGUARD-IZCBMXNHSA-N 442.566 2.675 10 40 IFCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1OCC(=O)O 409181120 WVCPKYICDWOAAH-XNTDXEJSSA-N 444.490 2.705 10 40 IFCB Cc1ccc(N2C(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)N=C2S)cc1 17180613 RLHWRNNKWKLLFL-QGOAFFKASA-N 447.520 2.948 10 40 IFCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(N(C)S(C)(=O)=O)c3)CC2)cc1 225974353 ZJMFJMIRIMSPHH-UHFFFAOYSA-N 437.949 2.707 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 409252452 XVTHOTQCGXFCEG-YBFXNURJSA-N 430.420 2.854 10 40 IFCB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1NC(C)=O 408561126 QWBZDJBGNRMIRN-UHFFFAOYSA-N 433.530 2.563 10 40 IFCB CN1CCN(C(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1 1616044741 VVESMESYDOWUJW-RUZDIDTESA-N 443.551 2.562 10 40 IFCB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 26770701 XDTFFTVRRHCYNL-FGGAIWKESA-N 447.560 2.783 10 40 IFCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(N)=O)c(Cl)c2)C1=O 409219724 PLDFTKSHEAMMEP-AWNIVKPZSA-N 448.262 2.832 10 40 IFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)[nH]c2ccccc12 9185491 ORZXSLNSAKCWGR-UYRXBGFRSA-N 446.532 2.986 10 40 IFCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 9233684 HXBJCUUDEDGSTI-OVCLIPMQSA-N 445.405 2.942 10 40 IFCB COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1Cl 409000318 YNFSZUBKUJZJOY-UHFFFAOYSA-N 429.860 2.968 10 40 IFCB CCc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1 11847447 YGWYOVIFRLGRKC-MNDPQUGUSA-N 447.626 2.679 10 40 IFCB COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)ccc1OCC(=O)O 33409719 YARQUUXGMIRYBW-ZSOIEALJSA-N 430.413 2.969 10 40 IFCB COc1ccc(N2CCN(Cc3cc(=O)n4cc(Br)ccc4n3)CC2)cc1 58169748 QCSFOUGPKKCUQC-UHFFFAOYSA-N 429.318 2.788 10 40 IFCB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 205691214 KGDAUMOVNBKYLD-VGOFMYFVSA-N 431.378 2.552 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O[C@H](C)C(=O)O 409243974 ZXSBRMMZNAIUHM-SWEABUAFSA-N 438.436 2.830 10 40 IFCB Cc1c(N/C=C2\C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 100769127 IEVGXAIEJPUQRD-NBVRZTHBSA-N 447.520 2.570 10 40 IFCB COC(=O)c1cccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1 12644808 WSKJTCSLKVVPSQ-UHFFFAOYSA-N 426.517 2.816 10 40 IFCB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 13572702 FUZLILDXGPHNKW-RMFUMNGISA-N 446.525 2.925 10 40 IFCB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 409103855 XBFPPUOWDJUBIE-UYRXBGFRSA-N 438.459 2.966 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 13573086 PAZYIKIZGQXBRD-NVMNQCDNSA-N 442.518 2.640 10 40 IFCB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1 13648910 YLGIYGBDQYLVNF-UHFFFAOYSA-N 443.569 2.546 10 40 IFCB CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)s1 22735852 MZJWHKFJXQBQFP-OAQYLSRUSA-N 448.658 2.570 10 40 IFCB CCn1c(=O)sc2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 225689275 KIBACYVOELCDLB-UHFFFAOYSA-N 433.555 2.602 10 40 IFCB Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc2c(c1)OCO2 9111747 KYJDEMXVIAQGOG-UHFFFAOYSA-N 438.461 2.850 10 40 IFCB CCCCC1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)c(OC)c3)C(=O)N=C2S1 41082917 DJVRXURJBALJSW-KXKVSBCVSA-N 436.515 2.843 10 40 IFCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NC(=O)c2ccccc2)C1=O 408530426 LSIUCCUCGXCOIL-RVDMUPIBSA-N 442.269 2.908 10 40 IFCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 408957059 ZXUYZAUWTSJWFZ-WUXMJOGZSA-N 445.225 2.853 10 40 IFCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 8740445 SRMQPPJTSNXABZ-REZBVGGZSA-N 425.876 2.934 10 40 IFCB biogenic COc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)NC2=S)c1 13765958 JYTPXWBYWUZYDU-GDNBJRDFSA-N 428.466 2.552 10 40 IFCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1N1CCOCC1 108983477 VTPUTZZLNQHOPM-RGEXLXHISA-N 429.542 2.880 10 40 IFCB COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1 4787670 ZPSHIYRNJIHLGR-UHFFFAOYSA-N 449.598 2.506 10 40 IFCB CN1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccc3c(c2)CCN3C)CC1 22733598 GFDYKCDJRLWUAJ-QHCPKHFHSA-N 442.991 2.816 10 40 IFCB Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl 409252776 DQWCVOAIOHVCRF-UHFFFAOYSA-N 429.885 2.580 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)c(OC)c1 8798879 BHZVSBQHBMIXTD-HXUWFJFHSA-N 433.574 2.667 10 40 IFCB C[C@H](Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)O 107609691 ZNXKQPPYIMKEHN-HOXUKUGESA-N 431.242 2.762 10 40 IFCB CCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1C 408627059 XSXKMRCRZIZSFN-UHFFFAOYSA-N 431.558 2.654 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(I)cc1 408994108 FTOCHDCQVAZQJM-OQLLNIDSSA-N 449.248 2.790 10 40 IFCB COC(=O)c1c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)sc(C)c1C 409206992 YCRCTEPGIFRVIZ-UHFFFAOYSA-N 429.498 2.993 10 40 IFCB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Br)o3)C(=N)N21 20207088 WEPZYFUXYYBDSV-VIYSTHAXSA-N 445.320 2.690 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1I 409332143 POLQWEOIFCGHTO-BJMVGYQFSA-N 435.264 2.586 10 40 IFCB CN1C(=O)/C(=C\c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)SC1=S 8870001 LPJPGYODRJVPMW-QRYYFKOISA-N 426.519 2.943 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCOCC2)cc1 22998943 KKEJYFPSFJSUTI-HXUWFJFHSA-N 448.926 2.673 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O 409015037 RAOWZHJRLCQQOP-FBJMNJBLSA-N 438.436 2.830 10 40 IFCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 15162258 DFAXJBJKLHZUEF-GFCAVMEOSA-N 447.560 2.864 10 40 IFCB CC1=NN(c2nnn[nH]2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1 101058997 XRKNWHCEIXRIPH-KPKJPENVSA-N 443.217 2.727 10 40 IFCB C[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)O 1565525043 YRUHDDLONITHQQ-NPMXOYFQSA-N 446.507 2.768 10 40 IFCB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 8798768 BOGKMINHEPEXFA-QFIPXVFZSA-N 430.574 2.609 10 40 IFCB CC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)[nH]c2ccccc12 9455806 NMBIGMBUTTYFSY-UYRXBGFRSA-N 430.464 2.821 10 40 IFCB COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NCc3ccco3)CC2)cc1 15321243 ADMFRWLVBMHEMO-UHFFFAOYSA-N 448.523 2.979 10 40 IFCB O=C(c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1O)N1CCOCC1 20677775 LCJQBGVVOREHLA-UHFFFAOYSA-N 425.510 2.978 10 40 IFCB CCOc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 26532038 KCMIBVRRVUWOAZ-RKPNYOAGSA-N 427.569 2.872 10 40 IFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S 9075780 KPFAYZOKNVQHFR-FCXXZRIVSA-N 442.858 2.847 10 40 IFCB O=C(O)COc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 9435771 OQMKZZHDILHLQM-XSFVSMFZSA-N 437.521 2.938 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)O 16915125 YAMCFGNHWUZJFV-MHWRWJLKSA-N 444.490 2.705 10 40 IFCB COC(=O)[C@H](C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33863970 CPHHQMREHWHXGK-IEMQHYRPSA-N 445.269 2.851 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)NCC(C)C)c3)CC2)cc1 408591476 JCVJKEXKOZMSTL-UHFFFAOYSA-N 445.585 2.900 10 40 IFCB Cc1cccc2c(=O)n(CCCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cnc12 27156146 VDMDDSBQDFNZAU-UHFFFAOYSA-N 434.540 2.980 10 40 IFCB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409210238 FQYABWCPKNDWDA-BOPFTXTBSA-N 444.465 2.834 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C1=O 409245782 ZBTZIMBZMDBCJC-WYMLVPIESA-N 426.425 2.778 10 40 IFCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 9135499 KFFVCHVBYJYZGO-QHCPKHFHSA-N 436.556 2.969 10 40 IFCB COc1ccc(N2CCN(C(=O)CN(C)Cc3ccc(OC)c(OC)c3OC)CC2)cc1 9513261 FNOBVVBAMGEVCP-UHFFFAOYSA-N 443.544 2.502 10 40 IFCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 2061583 VKIQOGISLGMAOH-UYRXBGFRSA-N 438.459 2.502 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1C 22735831 GMEOZFSAMWCQFG-XMMPIXPASA-N 442.629 2.563 10 40 IFCB COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@H](/N=N/c2cccc(C(=O)O)c2)C1=O 104272639 HPSURSFLVVBABK-SMIQVMJNSA-N 437.412 2.619 10 40 IFCB CC1CCN(c2ccc([C@@H](C)NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 218327452 XWJLVXIAXHFGFN-QGZVFWFLSA-N 441.553 2.945 10 40 IFCB COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1 408784362 RYGSPHDMQWCNMH-MDWZMJQESA-N 444.827 2.810 10 40 IFCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)cc1Cl 686743 MBPVLCWVXFIYTE-RVDMUPIBSA-N 431.901 2.909 10 40 IFCB CSc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(O)n1 104090709 YBEJHDLFVHXJDY-FCQUAONHSA-N 432.491 2.801 10 40 IFCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 408961150 ASNWIAWCXFFXIC-XYOKQWHBSA-N 434.235 2.524 10 40 IFCB CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)N3CCCC3)ccc21 8801009 WRMBYKGYUFAZCV-NRFANRHFSA-N 443.569 2.566 10 40 IFCB CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)C(=O)N(C)C1=S 59139197 PQFQXUPHXIDJGX-UHFFFAOYSA-N 434.109 2.516 10 40 IFCB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)s1 22735855 MZJWHKFJXQBQFP-NRFANRHFSA-N 448.658 2.570 10 40 IFCB CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 12565511 NCISAPFQEBMEKW-LJQANCHMSA-N 429.542 2.617 10 40 IFCB CCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 9427714 KCMIBVRRVUWOAZ-YDRQLGOLSA-N 427.569 2.872 10 40 IFCB COc1ccc2nc(/C=C3\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)ccc2c1 54360851 YOMGGZJPEWEYND-BUYRESAOSA-N 432.479 2.763 10 40 IFCB CN(C)c1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)Nc2ccc(Cl)cc2)cc1 67245515 FSLBJAYCGSJPGG-UHFFFAOYSA-N 433.921 2.860 10 40 IFCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(N)=O)c(Cl)c2)C1=O 409223546 IIUKFVKMFCNWMG-KPKJPENVSA-N 448.262 2.832 10 40 IFCB CCOC(=O)c1c(NC(=O)C[C@H](NCCN(CC)CC)C(=O)O)sc2c1CCCC2 22785893 WKKUQKOZFFBOHR-HNNXBMFYSA-N 439.578 2.517 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)cc3)C2=O)cc1 408741352 PIFNOLQSFBCEQT-XNTDXEJSSA-N 448.216 2.966 10 40 IFCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)cc1 12274876 DSQVLORJIZXXTJ-SSZFMOIBSA-N 436.555 2.559 10 40 IFCB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 20802184 BYJNVUZXNAMGRD-RTWAWAEBSA-N 436.512 2.864 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)cc1 9187682 XNQWXWSKZUGORH-LGMDPLHJSA-N 430.555 2.690 10 40 IFCB CN1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 23080610 HSXSUZJGEGNAAJ-OAQYLSRUSA-N 437.009 2.673 10 40 IFCB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 9540085 AOMFNRYVVXMARP-FQEVSTJZSA-N 437.456 2.698 10 40 IFCB COc1ccc(CNC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 34870719 CNIMHAKVDSWVQB-UHFFFAOYSA-N 429.428 2.944 10 40 IFCB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(N3CCCCC3)cc1)O2 44910727 QZTFBIFGHQBFAX-JOCHJYFZSA-N 443.569 2.829 10 40 IFCB Cc1cc(C)c(O)c(CN2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)c1 72399009 UAMMKWKVEGSFFH-UHFFFAOYSA-N 436.556 2.767 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 222969336 VJJMTIDYPWBHGB-UHFFFAOYSA-N 449.573 2.632 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 408902322 HKBWDKYAMXISGC-UDWIEESQSA-N 446.438 2.999 10 40 IFCB COc1ccc2c3c(n(C[C@@H]4CCS(=O)(=O)C4)c(=O)c2c1OC)-c1ccccc1C3=O 604404435 NIZVBLQWSJMGDA-ZDUSSCGKSA-N 439.489 2.665 10 40 IFCB biogenic COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C[C@H](C)O[C@@H](C)C3)c2C)c1 20507249 KVWWQZZAXNPJSB-HOTGVXAUSA-N 442.512 2.959 10 40 IFCB CN1CCN(C2=NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)S2)CC1 23109645 FEASKJVKZUJPBY-XDJHFCHBSA-N 443.550 2.672 10 40 IFCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N(C)C)C2=O)c1C 408536047 VLMDGTAVSCHSTN-RAXLEYEMSA-N 434.456 2.530 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)cc1OC 3169845 MUINCVQXBRUJCN-QPEQYQDCSA-N 436.540 2.704 10 40 IFCB CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O 8870101 FYMGBXJNHNLOPL-SWJKJJOXSA-N 436.555 2.902 10 40 IFCB CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 224811099 WLRUPXKWFADAIX-UHFFFAOYSA-N 429.542 2.505 10 40 IFCB COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(N2CCOCC2)cc1OC 15107474 XFXNCXFOYQYRGP-UHFFFAOYSA-N 432.473 2.819 10 40 IFCB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 20802187 BYJNVUZXNAMGRD-SFTDATJTSA-N 436.512 2.864 10 40 IFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 96306233 XERSBYXFZUFAMF-AISSWFOISA-N 447.446 2.774 10 40 IFCB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 225710256 ZRIHPIJPVCOUKM-UHFFFAOYSA-N 447.582 2.959 10 40 IFCB CCOc1ccc2nc(N/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)sc2c1 408532147 PUJHTJOUFWGYEN-DTQAZKPQSA-N 436.493 3.312 10 40 IFCB Nc1c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])ccc2c1C(=O)c1ccccc1C2=O 9441248 ZGFMJCCTADQJPM-UHFFFAOYSA-N 445.387 2.748 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1O 12418324 SYFJVFSUVUIZPZ-AWNIVKPZSA-N 449.232 2.964 10 40 IFCB CCN(CC)c1ccc(CN2CCc3c(O)nc(N4C[C@H](C)O[C@@H](C)C4)nc3C2)c(O)c1 19526492 LWMCMKXYLRAPCU-IRXDYDNUSA-N 441.576 2.906 10 40 IFCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 408916319 BTZMYMZZDQQUTJ-QPEQYQDCSA-N 431.401 2.582 10 40 IFCB COC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(F)c3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 12372144 TVWYYXYWPJGQJU-UHFFFAOYSA-N 445.428 2.888 10 40 IFCB COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 33718982 IQFGSYAKXUIRQV-GQVHDAKQSA-N 445.269 2.851 10 40 IFCB CCOC(=O)N1CCN(C(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)CC1 95479024 UUHSOHVDVLVDHW-UHFFFAOYSA-N 431.448 2.629 10 40 IFCB COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br 409243641 XHLZKFLFWVPVTQ-WUXMJOGZSA-N 432.230 2.528 10 40 IFCB CCN1C(=O)/C(=C\c2cc(C)n(C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 16957395 DXQOFBFEIMLZJY-MOSHPQCFSA-N 429.542 2.570 10 40 IFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccccc1Cl 41077945 AZNUWNJNPFWGTH-UHFFFAOYSA-N 430.844 2.946 10 40 IFCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@H]1O 54361063 LPTHVJWTDZMISO-HBMOZRESSA-N 428.988 2.524 10 40 IFCB Cc1ccc(-n2c(C)cc(C(=O)Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)c2C)cc1 9670838 ZLBPWSPAZOXAHO-UHFFFAOYSA-N 439.903 2.686 10 40 IFCB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 23080612 HSXSUZJGEGNAAJ-NRFANRHFSA-N 437.009 2.673 10 40 IFCB CCOc1cc(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCC 59139817 AHXLWOFKRAFYBT-UHFFFAOYSA-N 427.320 2.845 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833456 DXJHXJCIIMUMHF-UHFFFAOYSA-N 425.397 2.616 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 409012725 RNUJZOYJUHBORI-OXFWXOROSA-N 444.827 2.867 10 40 IFCB COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c1 409108739 XSTLKQMAKFUILH-XNTDXEJSSA-N 428.466 2.552 10 40 IFCB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1Cl 409256988 QYHASTXLFBKDDT-UHFFFAOYSA-N 429.885 2.580 10 40 IFCB COc1ccccc1NC(=O)COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1OC 409011848 OHMVODUMQLZXQE-UHFFFAOYSA-N 441.436 2.941 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3Br)CC2)cc1 3555393 NBNOTVDHFKSRRX-UHFFFAOYSA-N 433.302 2.963 10 40 IFCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)NC(C)(C)C3=O)c2C)cc1C 6587567 AJHMYQIGCBGXSJ-UHFFFAOYSA-N 425.485 2.767 10 40 IFCB C[C@H](C(=O)O)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 9265061 MIUIHIJHJYTOCF-GGNJANJASA-N 447.403 2.682 10 40 IFCB COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1OC 23858776 UMCBKHSLEAQRAX-JOCHJYFZSA-N 439.556 2.890 10 40 IFCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC#N 108116586 RMMQCDIMDFUIRK-XNTDXEJSSA-N 428.242 2.821 10 40 IFCB CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 409187812 UOLQQDWVETYCCD-LFIBNONCSA-N 426.400 2.823 10 40 IFCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N[C@@H](CO)Cc1ccccc1 33545879 JCCRNZKOKSFVEN-APVMCDBPSA-N 430.551 2.981 10 40 IFCB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589526 KNJDYJZBVNCTMZ-JOCHJYFZSA-N 430.618 2.636 10 40 IFCB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)N[C@@H](CO)Cc1ccccc1 33539441 DSFFLPCDCUMNDU-YCPFAOKUSA-N 430.526 2.747 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)cc1 33542313 XNQWXWSKZUGORH-GHRIWEEISA-N 430.555 2.690 10 40 IFCB CN(C)CCOC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 2350375 ARHXAIYKTYMGOT-LCYFTJDESA-N 429.361 2.755 10 40 IFCB CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715512 AWGJVZVBESCBCW-NRFANRHFSA-N 449.548 2.728 10 40 IFCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 34875455 BKWHZZVWSICQJD-UHFFFAOYSA-N 430.420 2.989 10 40 IFCB CCOc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccccc3OC)C1=O)OCO2 9323209 LIECAHXHRRSEFF-JYRVWZFOSA-N 426.450 2.654 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)[C@H](C)C(=O)N5CCC4)CC2)cc1 9708739 WQVNHHMYGHJIPV-INIZCTEOSA-N 441.553 2.602 10 40 IFCB CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C(=O)NC1=S 408908823 DIVCGFDSXXWSBI-RIYZIHGNSA-N 447.875 2.753 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCCC2)cc1 5341002 CDOOYWMIYPBRRC-NRFANRHFSA-N 428.964 2.976 10 40 IFCB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1OC 10188291 DLHBESYBTKFBRN-FQEVSTJZSA-N 440.544 2.662 10 40 IFCB COc1ccc(N2CCN(C(=S)NC(=O)c3cccc(C)c3OC)CC2)c([N+](=O)[O-])c1 14269051 VDNBTVKCEDSYSN-UHFFFAOYSA-N 444.513 2.757 10 40 IFCB CN1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccc3c(c2)CCN3C)CC1 22735814 HMOSTTGCHSKSEY-JOCHJYFZSA-N 449.020 2.599 10 40 IFCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(I)o1 408853933 SZLBDVWTVJQNQB-YRNVUSSQSA-N 426.141 2.690 10 40 IFCB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 9425282 GWTIPYXSZGUTJR-OAQYLSRUSA-N 430.570 2.964 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(C)c1 22735837 RPMYXYKVNAGJGX-HSZRJFAPSA-N 442.629 2.563 10 40 IFCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225560134 RAFNVWACUAAYPO-UHFFFAOYSA-N 443.569 2.628 10 40 IFCB COC(=O)c1ccc(C(=O)OC)c(N/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 9422630 JCDKAAHIASOLQK-CDCQXCROSA-N 436.511 2.552 10 40 IFCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(OC(F)F)cc3)nnc2n1 11025973 PIJZJELIZYMQIB-UHFFFAOYSA-N 438.464 2.715 10 40 IFCB N#CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33605308 RWQFXVPVCFINEB-JYRVWZFOSA-N 443.213 2.721 10 40 IFCB COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1OC 35597246 GJQKTIVWLLLHOT-NRFANRHFSA-N 440.544 2.891 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)NC(C)C)c3)CC2)cc1 408609572 UCTBHPKSFTZHIJ-UHFFFAOYSA-N 431.558 2.653 10 40 IFCB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)c1 409257330 QCLQAHIWTMEQJU-UHFFFAOYSA-N 443.912 2.889 10 40 IFCB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(CCOC)C(=S)N=C2O)c2ccccc21 5946927 OPWLBBNHZKSPRM-SFQUDFHCSA-N 442.541 2.623 10 40 IFCB COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)c(OC)c1 409103089 AJCPCQVZUAQEIN-TWPHAGSYSA-N 439.449 3.000 10 40 IFCB COc1ccc(N2CCN(Cc3cccc(OCc4ccccn4)c3)[C@@H](C(N)=O)C2)cc1 1848355731 KUKGAMUSALCENA-XMMPIXPASA-N 432.524 2.845 10 40 IFCB CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)C(=O)NC1=S 9111501 KGKTUQWKCVEOLJ-QGOAFFKASA-N 438.553 2.691 10 40 IFCB CN(C)c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 13504430 OYULYBKSPSUNBB-BJKOFHAPSA-N 447.587 2.830 10 40 IFCB COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@@H](/N=N\c2cccc(C(=O)O)c2)C1=O 104272629 HPSURSFLVVBABK-QNBCRBJRSA-N 437.412 2.619 10 40 IFCB CN(C)CCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524850 QNVWXNRZXRIPFP-VWLOTQADSA-N 445.567 2.856 10 40 IFCB CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)ccc2O)N3)C1 2234274 MMGBCZKOKDLEAA-CQSZACIVSA-N 441.294 2.900 10 40 IFCB COc1ccc(N2CCN(C(=O)CNC(=O)c3cccc(Br)c3)CC2)cc1 3477005 FRYGCNDFMIRCIA-UHFFFAOYSA-N 432.318 2.536 10 40 IFCB CN(C)c1ccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 12588363 REQBOBJKBGZVCU-UHFFFAOYSA-N 447.465 2.742 10 40 IFCB COc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C(=O)NC1=S 409171670 CFWMQFJFXJETJK-UKTHLTGXSA-N 428.466 2.552 10 40 IFCB CN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1 824609 ZJGUPEXNACTNGT-LFIBNONCSA-N 433.249 2.819 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 3663254 QXJQOMZIFKLEHQ-UHFFFAOYSA-N 425.397 2.616 10 40 IFCB Cc1cc(N2C(=O)NC(=O)/C(=C\NC(=O)c3ccccc3)C2=O)c(C)cc1Br 408533675 OTFOWBPDVCSVBE-GXDHUFHOSA-N 442.269 2.963 10 40 IFCB COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2oc(C)cc(=O)c2O)cc1 1547139325 NHPDZSGQMGUWQP-SFHVURJKSA-N 439.464 2.955 10 40 IFCB biogenic Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 6161691 GMJPYLQWRLAORZ-GDNBJRDFSA-N 430.536 2.966 10 40 IFCB COc1ccc(Br)cc1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 16729506 DXACLQZVJVMDRH-NUBYWOLOSA-N 448.385 2.846 10 40 IFCB Cc1ccc(N2C(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)cc1 19997970 HQOHPCKOSDZPEC-RCCKNPSSSA-N 434.565 2.881 10 40 IFCB C[C@@H](Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)O 33657005 ONQBTMYFMIUGIY-QVASGMJFSA-N 431.788 2.562 10 40 IFCB COc1ccc(N2CCN(C(=O)CSc3cc(-n4nc(C)cc4C)ncn3)CC2)cc1 49404242 DUOVYQVAPAOYCR-UHFFFAOYSA-N 438.557 2.729 10 40 IFCB COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@@H](/N=N\c3ccc(C(=O)O)cc3)C2=O)c1 104315461 PBNIYUVSTZBQSO-QNBCRBJRSA-N 437.412 2.619 10 40 IFCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 409210979 MJMQDQWDRPQKNY-NTUHNPAUSA-N 447.241 2.838 10 40 IFCB CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)C1=O 9946142 PIASHHRUJUEMEF-HSZRJFAPSA-N 443.475 2.988 10 40 IFCB O=S(=O)(O)c1cc(O)c2c(N=Nc3ccc(O)cc3O)cc(S(=O)(=O)O)cc2c1 254794127 BTEWRTUJKSQHIE-UHFFFAOYSA-N 440.411 2.865 10 40 IFCB Nc1ccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] 9141190 RJWNOUVNZIIELZ-UHFFFAOYSA-N 445.387 2.748 10 40 IFCB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccccc2Br)c1 408900004 SFBFLODWHYKJQV-UHFFFAOYSA-N 447.310 2.951 10 40 IFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3cccs3)N3CCCC3)ccc21 9135571 RLADXZWLTOSVKM-NRFANRHFSA-N 426.586 2.700 10 40 IFCB O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CS[C@H]2c2c(O)ccc3ccccc23)c1 5955484 IGYZXJCGDWQACZ-IBGZPJMESA-N 444.490 2.711 10 40 IFCB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 8964069 YFSLGPINFBBLBX-QHCPKHFHSA-N 436.556 2.969 10 40 IFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1cc2[nH]c(O)nc2cc1Br 408531482 KPARDYMNYLEBJM-CSKARUKUSA-N 442.229 2.610 10 40 IFCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 409389215 APOXQVMTGMHLRF-LFIBNONCSA-N 434.364 2.925 10 40 IFCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1 408931182 ICJBXGXRYDAEDZ-LICLKQGHSA-N 445.387 2.571 10 40 IFCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1Cl 409217203 OAHGNTBXVOFMOA-QPEQYQDCSA-N 429.903 2.656 10 40 IFCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1OCC(=O)OC 409327076 HOSKHBXSXHXKPO-WUXMJOGZSA-N 445.902 2.576 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc(OC)c1OC 1269228 XKCGZYBUBUZIGO-GDNBJRDFSA-N 431.495 2.654 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCc3ccc(O)c(O)c3)C2=O)cc1 9429856 HYLHWWHXEJACEP-WQRHYEAKSA-N 444.534 2.667 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)C1=O 9934792 BSZYOWYRODGFJQ-LFIBNONCSA-N 433.420 2.791 10 40 IFCB CN(C)c1ccc(CNC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12610364 HUJYPDPPLJCHMG-UHFFFAOYSA-N 437.540 2.735 10 40 IFCB CN(C)CCCN1CNC2=N[C@H](c3ccc(N(C)C)cc3)n3c(nc4ccccc43)N2C1 13638265 IDGVFFMTDKAWOC-QFIPXVFZSA-N 432.576 2.597 10 40 IFCB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc2nsnc12 19079832 FZCITLPZUBRELQ-UHFFFAOYSA-N 438.556 2.667 10 40 IFCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1 408656576 FRQRPYWGFUAEAX-NJYVYQBISA-N 432.476 2.731 10 40 IFCB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)c2ccc(N(C)C)cc2)CC1 23080621 FUUGJOYMVLXLOE-KRWDZBQOSA-N 443.038 2.735 10 40 IFCB Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)ccc1[N+](=O)[O-] 22664988 RJBANRGMSUJFNJ-QFIPXVFZSA-N 425.533 2.688 10 40 IFCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H](CO)Cc1ccccc1 33543773 MDLWWFDBSFLJLD-PBXDPIQXSA-N 430.526 2.747 10 40 IFCB CCOc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1OC 2242425 JFGFDIIAGKTZJU-RLIURORJSA-N 425.484 2.613 10 40 IFCB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)c1 8964209 RFNMCYJMZPHYQQ-QHCPKHFHSA-N 449.555 2.529 10 40 IFCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c1 409136143 STKSUOGVVHMJAB-LDADJPATSA-N 439.443 2.727 10 40 IFCB Cc1cccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1 22734869 PEQQOXIKICUXRQ-RUZDIDTESA-N 436.600 2.861 10 40 IFCB Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc(F)c(Cl)c1 24508776 CKVHQPKJQYEDHQ-UHFFFAOYSA-N 427.929 2.647 10 40 IFCB Cc1ccc(NC(=O)CNC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 35673406 JVTLKUNPWIHWPN-GZTJUZNOSA-N 425.535 2.951 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC(C)C)C(=O)O)C2=O)cc1 8870100 KWUAPOAYFLVIKK-YLQKULKDSA-N 436.555 2.902 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCCC3)ccc21 8964036 FWABTVPQCUYVLR-QFIPXVFZSA-N 440.975 2.902 10 40 IFCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3nc4nccc(C)n4n3)c2C)cc1 3392965 CXCNLEHNHJBJDW-UHFFFAOYSA-N 447.451 2.667 10 40 IFCB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 36833249 GMRPNSCBEPWBCJ-UHFFFAOYSA-N 428.499 2.945 10 40 IFCB Cc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)ccc1N1CCCC1 409201413 MTWLKCNNLPALCZ-UEXNTNOUSA-N 429.542 2.927 10 40 IFCB O=C(COc1ccc([N+](=O)[O-])cc1)NN1C(=O)/C(=C/c2ccccc2O)SC1=S 28629038 LRCBALSMRCERJB-DHDCSXOGSA-N 431.451 2.612 10 40 IFCB CSCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 8870085 PMMKYRBBNORVHM-AYYGCFCKSA-N 438.596 2.909 10 40 IFCB CN(C)c1ccc([C@@H]2N(C(=O)C(F)(F)F)CCN2S(=O)(=O)c2ccccc2)cc1 10078572 ULRJFXKZTIZHKW-QGZVFWFLSA-N 427.448 2.847 10 40 IFCB COc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 21886892 ULXAUWDETZHRSJ-XMMPIXPASA-N 439.556 2.890 10 40 IFCB COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c(Cl)cc1O 36613140 VGLBKHSWWCYRLU-UKWOQQOSSA-N 431.875 2.573 10 40 IFCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 409195971 XSJSPNUYDPQYCA-KPKJPENVSA-N 447.266 2.684 10 40 IFCB CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NCCO[S@@](C)(=O)=S)cc2)cc1 1570007177 YSVAKACZJCHSHA-CTNGAPNGSA-N 442.588 2.754 10 40 IFCB CN(C)c1ccc([C@H]2N(C(=O)C(F)(F)F)CCN2S(=O)(=O)c2ccccc2)cc1 10078578 ULRJFXKZTIZHKW-KRWDZBQOSA-N 427.448 2.847 10 40 IFCB COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 13671662 LHBNUSQGPKLKJV-UHFFFAOYSA-N 431.558 2.768 10 40 IFCB COc1ccc(/C=C2\C(=O)N(C)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 17161137 MQGLBRQHGMNRKF-YBEGLDIGSA-N 435.461 2.588 10 40 IFCB COc1ccccc1Oc1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O 20412379 WUEWTPLKUVRBAB-UHFFFAOYSA-N 440.496 2.718 10 40 IFCB biogenic Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22998990 KEXLTTAASPENSF-OAQYLSRUSA-N 444.963 2.843 10 40 IFCB COc1ccc(N2CCN(C(=O)Cn3cnc4c(sc5ccccc54)c3=O)CC2)cc1 57507987 YWRXLJTYTRMRBL-UHFFFAOYSA-N 434.521 2.969 10 40 IFCB CCOc1ccccc1-n1nnn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S 58448453 DBFHYTYXEDDWQT-UHFFFAOYSA-N 426.546 2.985 10 40 IFCB Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c(C)c1 23080579 LRRMORXQIKKQAC-QHCPKHFHSA-N 444.645 2.945 10 40 IFCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C[C@H](C)O[C@H](C)C3)c2C)c1 12445255 KVWWQZZAXNPJSB-IYBDPMFKSA-N 442.512 2.959 10 40 IFCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 13165692 DESIZQASFQPJOH-BKUYFWCQSA-N 425.416 2.884 10 40 IFCB CN1CCN([C@H](CNC(=O)COc2ccc(Cl)cc2)c2ccc(N(C)C)cc2)CC1 22589082 XIEJOOLFHKGMHD-JOCHJYFZSA-N 430.980 2.890 10 40 IFCB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1ccccn1 9322749 GHBHSLWLVLOJOM-DEOSSOPVSA-N 430.464 2.902 10 40 IFCB COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 408548636 KCZAVPTWADXIOA-SXGWCWSVSA-N 432.274 2.922 10 40 IFCB CCCCCCN1C(=O)/C(=C/Nc2cc(OC)c(OC)cc2C(=O)OC)C(=O)NC1=S 9359901 ALZRLRDONLJXHQ-WYMLVPIESA-N 449.529 2.610 10 40 IFCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCC(N)=O 13915336 ZFYGHTOERDZJFF-IZZDOVSWSA-N 431.333 2.543 10 40 IFCB COc1ccc(N2CCN(C(=O)Cn3c(-c4ccc(F)cc4)nc(C)cc3=O)CC2)cc1 57477927 YZMGLPKTZGALBX-UHFFFAOYSA-N 436.487 2.715 10 40 IFCB COc1ccc(N2CCCN(CC3CCN(C(=O)CCCn4cncn4)CC3)CC2)cc1 72338567 GIQDCIBLUXOEER-UHFFFAOYSA-N 440.592 2.518 10 40 IFCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1O 408551544 NBTWXOVQCFTYNU-YFHOEESVSA-N 435.820 2.627 10 40 IFCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408775607 JCOVJYINOIGPLW-MOSHPQCFSA-N 436.464 2.827 10 40 IFCB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1 10113196 CDTNUIXQRRWCBD-UHFFFAOYSA-N 430.574 2.606 10 40 IFCB COc1ccc(N2CCN(C(=O)CCCN(c3ccccc3C)S(C)(=O)=O)CC2)cc1 222553455 HXXMYBQCZXVTBF-UHFFFAOYSA-N 445.585 2.899 10 40 IFCB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1 408733697 ZYNFEOGWFWTWSO-ITICKHJUSA-N 437.521 2.566 10 40 IFCB COC(=O)c1ccc(Cn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3ccccc32)o1 409393581 QVXLEVPPHYNQQU-UHFFFAOYSA-N 437.477 2.668 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)c1 9429747 DFNWZEDJZXOWBG-UEXNTNOUSA-N 442.562 2.616 10 40 IFCB CCN(Cc1ccccc1)c1ccc(CN2CCN(CC(=O)NCCCOC)CC2)cc1 22791359 JNRKHIGTELRFOM-UHFFFAOYSA-N 438.616 2.983 10 40 IFCB COc1ccc(N2CCN(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)CC2)cc1 23466511 QTRITCQOHODOMB-QFIPXVFZSA-N 426.542 2.620 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 35624094 BIQSIIFMCJPLJU-LZYBPNLTSA-N 444.490 2.939 10 40 IFCB NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409227943 XVLTULFERVUXEF-KPKJPENVSA-N 434.235 2.524 10 40 IFCB O=C(COc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccccc1 409250727 MRJWGMDLCHXJSL-UHFFFAOYSA-N 434.235 2.760 10 40 IFCB COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2oc(C)cc(=O)c2O)cc1 1547139324 NHPDZSGQMGUWQP-GOSISDBHSA-N 439.464 2.955 10 40 IFCB biogenic CCn1c(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nnc1-c1ccncc1 10477590 RJAACHCKRPCHBW-UHFFFAOYSA-N 438.557 2.810 10 40 IFCB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 19818503 QOTQRJOGFLZLJN-PMACEKPBSA-N 439.468 2.599 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)s1 22735538 MUVZGOCMTNVBQU-HXUWFJFHSA-N 435.615 2.791 10 40 IFCB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1Cl 22998988 ZHEHSTRKTRWLIW-NRFANRHFSA-N 444.963 2.843 10 40 IFCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)c1 409075533 WRJVPJGTTDONKP-STZFKDTASA-N 434.496 2.671 10 40 IFCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 1958835 SVTAKWRIZCUNOH-OQLLNIDSSA-N 431.451 2.855 10 40 IFCB COc1cccc([C@H]2N[C@H](c3cccc(OC)c3O)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])c1O 12384076 ZTPKNMMKKOGLOR-YKCBXCCJSA-N 447.444 2.817 10 40 IFCB CN1CCN([C@@H](CNS(=O)(=O)c2cccc(Cl)c2)c2ccc(N(C)C)cc2)CC1 23080632 ZRUQRGRQCWHFGK-NRFANRHFSA-N 437.009 2.673 10 40 IFCB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccccc21 218790923 GNIXLACFNLZVHO-JOCHJYFZSA-N 443.569 2.910 10 40 IFCB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)c1 409247983 FLRJTWNNQDJQMG-UHFFFAOYSA-N 427.844 2.724 10 40 IFCB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc2c1C(=O)c1ccccc1C2=O 25357590 RGGKYTRBMDDXOJ-UHFFFAOYSA-N 429.384 2.986 10 40 IFCB CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1cc(C)ccc1C 225934687 CPQANYFCQKDXAB-UHFFFAOYSA-N 445.585 2.671 10 40 IFCB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(O)c(O)c2)cc1 13574419 SQYYQGFZJKRYND-QFIPXVFZSA-N 433.464 2.545 10 40 IFCB COc1ccc(/C=C2/SC(=S)N(CC(=O)NCCc3ccc(O)c(O)c3)C2=O)cc1 33544735 HYLHWWHXEJACEP-WOJGMQOQSA-N 444.534 2.667 10 40 IFCB COc1ccc(N(C)CCC(=O)N2CC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1 257302423 SCXGPCMFFLZKGQ-KRWDZBQOSA-N 437.544 2.545 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)OC)c4ccccc34)C2=O)cc1 408780317 AWXLKMXMRDMWMP-XDHOZWIPSA-N 447.447 2.879 10 40 IFCB CCOc1cccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)C(=O)NC2=S)c1 409065228 IGDBFRBJMWUCSL-CHHVJCJISA-N 426.450 2.654 10 40 IFCB COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 69158128 JLYOTVMPMREUBM-UHFFFAOYSA-N 443.569 2.832 10 40 IFCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(CC)C3=O)c2C)c1 409390932 GHAQEYUIGKIRKH-LDADJPATSA-N 425.510 2.917 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc(OC)c1O 12274936 MMMOTXQDNYLNNA-YBEGLDIGSA-N 430.507 2.885 10 40 IFCB COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(C)cc4)c(=O)cc3OC)CC2)cc1 9573782 ZLSBSEBSMGGBMR-UHFFFAOYSA-N 434.496 2.521 10 40 IFCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccccc1 33762687 OWCGKGLRHGPOKU-MNJKBJKMSA-N 447.560 2.973 10 40 IFCB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 225728046 KOYQASIQVPYZOX-UHFFFAOYSA-N 447.582 2.788 10 40 IFCB O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)cc1 409225600 RILIJUDCTXTRNT-UHFFFAOYSA-N 434.235 2.760 10 40 IFCB COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@@H](C(C)=O)N21 8990427 OHJZXWILKAGHBT-BXXSPATCSA-N 446.459 2.599 10 40 IFCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c(OC)c1 409091974 WPVHSIDJEFVDOS-OQLLNIDSSA-N 428.466 2.552 10 40 IFCB CCOCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 16741253 NXJFEOAEXYOOIO-PEZBUJJGSA-N 444.582 2.923 10 40 IFCB CCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1Br 409048310 SJJKDGQYCUAOCO-UHFFFAOYSA-N 448.136 2.915 10 40 IFCB NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409218098 CRGOBCWNQGKIGA-NTUHNPAUSA-N 434.235 2.524 10 40 IFCB O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CS[C@@H]2c2c(O)ccc3ccccc23)c1 1642143 IGYZXJCGDWQACZ-LJQANCHMSA-N 444.490 2.711 10 40 IFCB COC(=O)Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 797692 FRFKWFCQBQBABT-GDNBJRDFSA-N 437.452 2.785 10 40 IFCB O=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9540574 ALWQZMARCDTUOK-UHFFFAOYSA-N 445.456 2.896 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCC3CCCCC3)CC2)cc1 9570060 XNAIMPCHWBROQP-UHFFFAOYSA-N 437.606 2.624 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c(C)c1 409251098 OIHXWCAYVSGDAP-UHFFFAOYSA-N 427.844 2.724 10 40 IFCB COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(O)cc4)n3C)CC2)cc1 882499 ASJKFERCHXRQDV-UHFFFAOYSA-N 439.541 2.637 10 40 IFCB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1 33333778 XMKGQBUAFKGDGV-OQLLNIDSSA-N 426.381 2.674 10 40 IFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1Cl 409219126 JGADNXRGBFBRNR-AWNIVKPZSA-N 448.262 2.832 10 40 IFCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@H]1CSC[C@H]1O 54361064 LPTHVJWTDZMISO-RBVCKMPFSA-N 428.988 2.524 10 40 IFCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCC(N)=O)C1=O 409223184 FQAKPHDAWSEZRO-VGOFMYFVSA-N 448.262 2.832 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OC)cc(OC)cc2OC)C1=O 409231675 FIEFFNYOSIWDFI-NTCAYCPXSA-N 426.425 2.778 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)c1 9429683 LHHWAPVWDFPZAP-PXNMLYILSA-N 444.490 2.939 10 40 IFCB C[C@H](C(=O)N[C@@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 9429844 IRDVGJQCOKMEBC-UWCCLZHFSA-N 426.563 2.996 10 40 IFCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1Br 13669472 JNKMBUJZPDZQGH-UHFFFAOYSA-N 441.347 2.773 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 16025039 WJWFMZYHOBSUDB-LSCVHKIXSA-N 444.440 2.615 10 40 IFCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)C(=O)N=C2O)cc(OC)c1OC 16195163 SDMKAWFVRAZODA-RIYZIHGNSA-N 426.381 2.917 10 40 IFCB CCN(CC)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1 20233253 ICFURQJTMKWBBW-RCCKNPSSSA-N 432.549 2.804 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OC 409195037 QVFFGWBPCWKXMW-XNTDXEJSSA-N 426.450 2.623 10 40 IFCB CN(C)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408526701 CEANIJNJSNANFU-MDZDMXLPSA-N 440.847 2.567 10 40 IFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 408895582 NJPSXWYJNPOONG-NTUHNPAUSA-N 430.800 2.507 10 40 IFCB CS(=O)(=O)N1CC[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccccc21 44910739 SWCTVECXQLEGIA-JOCHJYFZSA-N 443.569 2.910 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)NC2=S)cc1 1197711 SUBHBOXPYJUTGS-RVDMUPIBSA-N 428.466 2.552 10 40 IFCB COc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc(OC)c1 22418625 ZFTRZAAITUIJBK-QHCPKHFHSA-N 441.576 2.880 10 40 IFCB COCCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 48354624 ZYESKTJEZZWGGF-UHFFFAOYSA-N 433.574 2.728 10 40 IFCB C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 218327720 UDOOSWPQAJKKDS-SJORKVTESA-N 441.553 2.945 10 40 IFCB O=C(O)[C@@H]1CN[C@@H](c2cc(Br)cc(I)c2O)S1 408977815 KBDKYNUZQLPECW-IONNQARKSA-N 430.061 2.548 10 40 IFCB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCC(=O)N1CCCC[C@H]1CCO 9429288 GHTARDKBWGMKLC-BRYHAGSVSA-N 448.566 2.770 10 40 IFCB COc1ccc(OC)c(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2SCCC3)c1 2965900 QKWLUIXVAYCQNA-QFIPXVFZSA-N 429.518 2.646 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCCC3)ccc21 8964175 MISFBMFWYLADIM-JOCHJYFZSA-N 440.975 2.902 10 40 IFCB CN1CCCc2cc([C@H](CNC(=O)COc3ccccc3F)N3CCOCC3)ccc21 13008373 BHBZWQJFDVVPGS-QFIPXVFZSA-N 427.520 2.777 10 40 IFCB C/C(NCCN1CCOCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 15930146 RWCYXWGATQJRIK-NTCAYCPXSA-N 439.463 2.757 10 40 IFCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)C1 260455464 UDOOSWPQAJKKDS-IRXDYDNUSA-N 441.553 2.945 10 40 IFCB COC(=O)CN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)N(C)C1=S 409201399 MSBZXKOBUJLCKQ-YVLHZVERSA-N 428.470 2.575 10 40 IFCB Nc1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1 104039804 IWOSIGNANKUKIQ-HNENSFHCSA-N 439.427 2.742 10 40 IFCB COc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3C[C@H]3CCCO3)CC2)cc1 13504349 KAMHOXMFCRPMFI-DHIUTWEWSA-N 434.544 2.772 10 40 IFCB COc1cc(N2N=C(C)/C(=C/NNS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1Cl 408527230 DATHWYSZOMCMKE-WJDWOHSUSA-N 434.905 2.747 10 40 IFCB COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCC(N)=O 2798791 CXIATRIFTCRETI-YVLHZVERSA-N 430.507 2.974 10 40 IFCB CCN1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 6512437 JEZMYYRPVZLFMZ-SHLZMMBASA-N 444.582 2.838 10 40 IFCB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 21887009 PEMQDKQJJXODJW-QHCPKHFHSA-N 436.556 2.506 10 40 IFCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(I)c1 408961173 BDBGPYKMYJRPFH-XYOKQWHBSA-N 434.189 2.663 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OC 409193398 JXOSTEPPYWXBSE-NTUHNPAUSA-N 446.868 2.887 10 40 IFCB O=C1c2ccccc2C(=O)c2c(NC[C@H]3CO3)ccc(NC[C@H](O)CN3CCCCC3)c21 642771883 PAVCXQYCVGRALP-IRXDYDNUSA-N 435.524 2.531 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)c(OC)c3)CC2)cc1 48044494 IKEAYFXHBKTUPR-UHFFFAOYSA-N 441.347 2.977 10 40 IFCB COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)C(=O)NC2=S)cc1 9934516 GIZIZRINEWPMHG-JYRVWZFOSA-N 433.283 2.995 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)O 2891928 ALKQRNANASUZHA-DSQDWWTGSA-N 438.436 2.912 10 40 IFCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] 9540335 BWPYRIKXZDXVEF-VIFPVBQESA-N 425.488 2.689 10 40 IFCB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1OC 13008354 QZCQLHPONYIURS-QFIPXVFZSA-N 439.556 2.890 10 40 IFCB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1NC(C)=O 9546295 ACMJGCNZXJXNBT-JTQLQIEISA-N 437.543 2.740 10 40 IFCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)O 409058109 RGUDNMLQVJYIFD-LCYFTJDESA-N 444.827 2.869 10 40 IFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1797779 OYPKGXDMUWXBRC-AISSWFOISA-N 448.434 2.984 10 40 IFCB O=C1/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 16741248 QLBJGPQTYGUARD-QXPQOBGOSA-N 442.566 2.675 10 40 IFCB CC(C)(C)c1ccc(O)c(CN2Cc3cn(nn3)CC(=O)NCCOc3ccccc3C2)c1 643566036 OGAPGOFIECNZHM-UHFFFAOYSA-N 449.555 2.992 10 40 IFCB CC(C)(C)N(CCO)C(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 8766122 WHYYQUZEKAUGCG-WJDWOHSUSA-N 436.555 2.626 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1 9601631 XLPUWJCZPXBZJV-CPNJWEJPSA-N 431.404 2.851 10 40 IFCB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1ccc(O)c(O)c1 33543571 GDZLLMDIGDYHFG-LICLKQGHSA-N 432.498 2.797 10 40 IFCB COc1ccc(N2CCN(C(=O)CC34C[C@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)CC2)cc1 102831672 BADTVUQLMXTCMH-UOYQGRGCSA-N 436.560 2.716 10 40 IFCB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)s1 22735702 UITHIZVZHNGEMA-FQEVSTJZSA-N 435.615 2.655 10 40 IFCB COC(=O)Cc1c(C)c2ccc(O)c(CN3CCN(c4ccc(F)cc4)CC3)c2oc1=O 95472790 ZWLMDJQDWPACFB-UHFFFAOYSA-N 440.471 2.984 10 40 IFCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1C 1213103 FQWZRCKBUMWJMY-YBFXNURJSA-N 427.416 2.908 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 4330781 RJLPAATVHKSPPK-HXUWFJFHSA-N 425.489 2.553 10 40 IFCB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 8964179 WIRWRMDTAMYVPT-QFIPXVFZSA-N 436.556 2.969 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)c1 9187704 LQDNIWRWTDBARQ-LGMDPLHJSA-N 430.555 2.690 10 40 IFCB CN1CCN([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccc(N(C)C)cc2)CC1 22937849 SEGJWZKNURQOTB-QFIPXVFZSA-N 434.540 2.578 10 40 IFCB COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@H](/N=N/c2ccc(C(=O)O)cc2)C1=O 102918271 RNZQNRXGBXKHDZ-SMIQVMJNSA-N 437.412 2.619 10 40 IFCB COc1cccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)NC2=S)c1 1444047 BDWUQGKIHDCJOA-OVCLIPMQSA-N 428.466 2.552 10 40 IFCB C[C@@H](C(=O)O)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 9265058 MIUIHIJHJYTOCF-WIJRQFRKSA-N 447.403 2.682 10 40 IFCB CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 17299976 PMHPGNOXWIANKI-XDHOZWIPSA-N 431.448 2.866 10 40 IFCB COc1ccc(N(C)CCC(=O)N2CCC(c3ncc(C(=O)N(C)C)c(C)n3)CC2)cc1 19766420 SQQCLHXASOPCKO-UHFFFAOYSA-N 439.560 2.728 10 40 IFCB COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)CC2)cc1 20061440 FBOBYWLEBCIBSM-UHFFFAOYSA-N 443.569 2.751 10 40 IFCB COc1ccc(Br)cc1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 16729509 DXACLQZVJVMDRH-HKMIMPICSA-N 448.385 2.846 10 40 IFCB Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccc2c(c1)CCC2 84080279 SUFSXAWCJKUBCX-UHFFFAOYSA-N 434.584 2.662 10 40 IFCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c3ccccc32)c1 9311653 HLPVXQWNWLBSGS-WOJGMQOQSA-N 432.505 2.845 10 40 IFCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(C(=O)O)CC3)C2=O)c1 13573267 GPTONYCSYISPFA-LGMDPLHJSA-N 448.566 3.000 10 40 IFCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 13648372 WWANBNOFFRXXTL-UHFFFAOYSA-N 446.529 2.668 10 40 IFCB COc1ccc(N2CCN(C(=O)CN(c3c(C)cc(C)cc3C)S(C)(=O)=O)CC2)cc1 22388508 UGMYCQHQRTXJGH-UHFFFAOYSA-N 445.585 2.735 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1 22998825 RIYNIFIDBAPWQX-HXUWFJFHSA-N 430.936 2.534 10 40 IFCB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC 223850393 IBFIVSSAJWQTMX-MRXNPFEDSA-N 431.558 2.770 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O[C@H](C)C(=O)O 409246711 AQYLPEYRGITJJZ-HGLKBHAMSA-N 444.827 2.867 10 40 IFCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 1824964 ZKDHZPONEPDKTD-BARSGRSVSA-N 447.560 2.864 10 40 IFCB COCCN(CC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(OC)c(OC)c1 78969930 JHWHHLDVZOEECG-UHFFFAOYSA-N 445.535 2.640 10 40 IFCB O=C1NC(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1 409089003 LJCZIOHGXPSUAS-UHFFFAOYSA-N 432.732 2.698 10 40 IFCB COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 9302914 GQVODMVDYUGDLN-PXNMLYILSA-N 444.490 2.939 10 40 IFCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 409208887 CXUFTFOGZZLRPN-SFQUDFHCSA-N 436.555 2.544 10 40 IFCB COc1ccc(N2CN=c3s/c(=C\c4cccc(Br)c4)c(=O)n3C2)cc1 9272670 MTSYZGWLDUDRAR-YVLHZVERSA-N 430.327 2.565 10 40 IFCB CNc1nc([C@H]2CCCCN2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1CNCC2 72372309 DGVHZGDYKHSYKX-JOCHJYFZSA-N 440.567 2.867 10 40 IFCB CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)s1 22735699 UITHIZVZHNGEMA-HXUWFJFHSA-N 435.615 2.655 10 40 IFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408885375 YWHHOZYKPBUQLT-UHFFFAOYSA-N 447.856 2.750 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1 409102966 UYACBLHEBWAKOV-CPNJWEJPSA-N 431.404 2.851 10 40 IFCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c(OC)c1 409171763 GQFHGTGMZAOPAZ-SDNWHVSQSA-N 428.466 2.552 10 40 IFCB Cc1ccnc(Sc2oc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2Br)n1 409271951 WPHYFUCMOMADJG-UHFFFAOYSA-N 437.275 2.726 10 40 IFCB O=C(O)Cn1cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c2ccccc21 15013073 KSNIQYHXSOJHPS-CHHVJCJISA-N 433.376 2.961 10 40 IFCB COCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2249854 SIESHQUOHSRBSI-DHDCSXOGSA-N 432.571 2.918 10 40 IFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S 51330792 BHIAVBCENULYJH-NXADEVLQSA-N 446.506 2.610 10 40 IFCB CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)cc1 9313241 TYGQGXXZAJLTCW-GZTJUZNOSA-N 427.457 2.742 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)O 409020586 QUCFHJJTBKSHLW-QQFZQELXSA-N 440.477 2.687 10 40 IFCB CCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 12640587 ZIYXOSXEJYIDHT-UHFFFAOYSA-N 442.512 2.998 10 40 IFCB Nc1c(N2CCN(CCO)CC2)cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O 20573309 PSCZRKYUPREONP-UHFFFAOYSA-N 448.567 2.903 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)NC2=S)c(OC)c1 409108529 WOPSZXNLIXWXDL-RVDMUPIBSA-N 427.482 2.728 10 40 IFCB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3O[C@@H](C)C(=O)O)C(=O)NC2=S)cc1 409192647 DFISQPQFYDATRH-VLURKWGBSA-N 440.477 2.769 10 40 IFCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)O)C1=O 409246291 AMGWPMZIOCBVLK-MLDYKZIASA-N 438.436 2.776 10 40 IFCB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1OC 8798786 VYLZNQQCTSUCIA-FQEVSTJZSA-N 433.574 2.667 10 40 IFCB CN1CCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCCC3)ccc21 8964176 MISFBMFWYLADIM-QFIPXVFZSA-N 440.975 2.902 10 40 IFCB CCOc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 408899374 OUXARALLHYHGPY-CXUHLZMHSA-N 425.397 2.982 10 40 IFCB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 5341062 BIMLCIVVAOJLGO-HXUWFJFHSA-N 425.489 2.553 10 40 IFCB COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 6645222 IWUSNCLDMKJZIS-ZSOIEALJSA-N 446.868 2.643 10 40 IFCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc21 23114569 OXVFTWKCZXLGRX-UHFFFAOYSA-N 446.528 2.969 10 40 IFCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 223620723 QHLKRFCHHSJQLL-UHFFFAOYSA-N 445.541 2.673 10 40 IFCB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OC 32109994 VLQAHKJQUPNEBP-KPKJPENVSA-N 446.266 2.805 10 40 IFCB CC(=O)NCCCCCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 32936173 QGAJRRQRYPWVRK-UHFFFAOYSA-N 436.464 2.640 10 40 IFCB COc1ccc2c3c(n(CCCN4CCN(C)CC4)c(=O)c2c1OC)-c1ccccc1C3=O 604403897 COWLQUSZASUNMZ-UHFFFAOYSA-N 447.535 2.868 10 40 IFCB biogenic CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 8995560 VEMJWPWPDSUDDA-PCJMVEANSA-N 432.523 2.769 10 40 IFCB COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 13008376 QRPUIZUNEYIFBW-QFIPXVFZSA-N 439.556 2.646 10 40 IFCB COc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)sc2c1 408531687 LDWVVQWJMYSZEP-PKNBQFBNSA-N 428.857 3.537 10 40 IFCB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1-c1ccccc1 12609272 HUZMKTUYUFQHLW-UHFFFAOYSA-N 439.537 2.923 10 40 IFCB CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O 13670057 MGOPVSOROXGXFY-UHFFFAOYSA-N 431.558 2.768 10 40 IFCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 408549470 UCFZUGJOWOGGAX-LZYBPNLTSA-N 432.274 2.922 10 40 IFCB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC 408587403 UVTIPCXOBFFBOP-UHFFFAOYSA-N 449.529 2.783 10 40 IFCB C[C@]1(C(=O)O)N[C@H](c2cc(Cl)ccc2O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 15276293 NOXFJLUTTKVRKS-ROYATCLZSA-N 435.263 2.992 10 40 IFCB O=C(NC1CC1)c1ccc(N2CC[C@H](NCc3cc(Br)ccc3O)C2)nc1 49421002 FJWWNCTWUIXAKZ-KRWDZBQOSA-N 431.334 2.810 10 40 IFCB C/C(NCCCN1CCOCC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112294428 HXQXKGOAQPFTPE-PYCFMQQDSA-N 449.511 2.932 10 40 IFCB CN(c1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O 224081138 ADNCGDHGFMECMB-UHFFFAOYSA-N 431.558 2.768 10 40 IFCB Cc1nn(C)c(C)c1[C@H]1CC(c2ccc(O)cc2)=NN1c1ccc(S(N)(=O)=O)cc1 227173482 VYFBMDALTNRBOQ-HXUWFJFHSA-N 425.514 2.746 10 40 IFCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/c3ccccc3OCC(=O)O)C2=O)c1 8743544 SFQGKNGENDEELU-ZROIWOOFSA-N 426.381 2.674 10 40 IFCB O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NC1CCCCC1 9438669 SXCDGAGMCXIUBR-UHFFFAOYSA-N 436.420 2.976 10 40 IFCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(F)c1 41077679 ZBXQNPFLRCTOBY-NQDRLLCNSA-N 445.501 2.855 10 40 IFCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2cccc(C)c2)c1=O 97402234 WIILUOZMTZFJAE-UNOMPAQXSA-N 430.464 2.963 10 40 IFCB COc1ccc(OC)c(N2C(=O)/C(=C\Nc3ccc(NC(C)=O)cc3)C(=O)N=C2S)c1 102695193 SGCOMXKBWOAWSL-WJDWOHSUSA-N 440.481 2.817 10 40 IFCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 409192136 AWBPYJKDAKUFBW-LDADJPATSA-N 433.445 2.712 10 40 IFCB O=C(O)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 1811475 MTLOMBURWFELES-ZROIWOOFSA-N 429.435 2.839 10 40 IFCB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008104 IHCVWSGEFUURLY-QFIPXVFZSA-N 436.556 2.969 10 40 IFCB COc1ccc(/C=C2/C(=N)N3C(=NC2=O)Sc2cc(S(C)(=O)=O)ccc23)cc1OC 13638131 PIDGQUSWXCYXMU-PQJMHHKISA-N 443.506 2.976 10 40 IFCB COc1ccc(/C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(OC)c1OC 13774307 JKOJUUGCBOAGBC-FOWTUZBSSA-N 428.416 2.556 10 40 IFCB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1Cc1ccccc1F 408872231 BMZJSNJSKAEAMX-UHFFFAOYSA-N 433.233 2.937 10 40 IFCB COc1cccc(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)c(O)c3)C2=O)c1 9058893 ZMUWUZCBCWEFMH-WQRHYEAKSA-N 428.466 2.502 10 40 IFCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1Cl 409254607 IFMUKAPSNPDMPT-UHFFFAOYSA-N 443.843 2.506 10 40 IFCB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCCCC2)cc1 219666956 WMVZHQDQFVNBGT-UHFFFAOYSA-N 427.526 2.528 10 40 IFCB COc1ccc(CCN2C(=O)NC(=O)/C(=C/Nc3ccc4c(c3)CCC4)C2=O)cc1OC 9463126 TUBRTHFIEPVLLL-RGEXLXHISA-N 435.480 2.809 10 40 IFCB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccccc2)C(=O)N=C1O 102608987 LUDWYMXAAHUFIT-LYDJUCFBSA-N 432.436 2.849 10 40 IFCB CN(C)CCCN1CNC2=N[C@@H](c3ccc(N(C)C)cc3)n3c(nc4ccccc43)N2C1 13638262 IDGVFFMTDKAWOC-JOCHJYFZSA-N 432.576 2.597 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 409019927 KWWIVFYWWAWNPX-ZRRZQRFHSA-N 444.827 2.867 10 40 IFCB COc1ccc(N2CCC(O)(CN3CCC4(CC3)C[C@H](N(C)C(C)=O)CCO4)CC2)cc1 2037845568 CNLCZBGADQIPRL-JOCHJYFZSA-N 445.604 2.518 10 40 IFCB COc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)cn3C)CC2)cc1 12069855 KBJTVKCVFHFDAH-UHFFFAOYSA-N 433.508 2.935 10 40 IFCB O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NN1CCOCC1 2701076 SMUSFPJFALMMCP-FYWRMAATSA-N 425.601 2.873 10 40 IFCB CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 113950107 JLOSQJOCNVYBRW-QFIPXVFZSA-N 445.585 2.693 10 40 IFCB NC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 107622468 MQESVMJQAYOVFK-CXUHLZMHSA-N 438.896 2.611 10 40 IFCB O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)N1CCOCC1 1217790 SAMPBAOLAJCJLP-UKTHLTGXSA-N 427.345 2.509 10 40 IFCB COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)cc1 10053911 RPBFNHSIENPAFI-JOCHJYFZSA-N 437.540 2.952 10 40 IFCB O=C1NC(=O)C(=Cc2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1 409091379 PYBPXSXORWSIAG-UHFFFAOYSA-N 432.732 2.698 10 40 IFCB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 13671020 XMEBXIAFAUEVLA-KRWDZBQOSA-N 431.558 2.766 10 40 IFCB Nc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O 3954186 XLDBFKFFJKGSTN-VHEBQXMUSA-N 439.427 2.742 10 40 IFCB in-vitro COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)NC(=O)CS4)CC2)cc1 9919391 VREMKHWENGZSIO-UHFFFAOYSA-N 440.569 2.682 10 40 IFCB COc1ccc(N2CCN(C(=O)c3cc(N(C)S(C)(=O)=O)ccc3Cl)CC2)cc1 222494165 TUDZACTXVBQGDC-UHFFFAOYSA-N 437.949 2.707 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1O 1203532 YEVPOSTVTVCJAS-MDWZMJQESA-N 433.283 2.995 10 40 IFCB CN1C(=O)C(=Cc2cn(CC(=O)NCc3ccccc3)c3ccccc23)C(=O)N(C)C1=S 6287805 LIEQLYHZLDXWHS-UHFFFAOYSA-N 446.532 2.556 10 40 IFCB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S 32508930 KPFAYZOKNVQHFR-GEXOLPNISA-N 442.858 2.847 10 40 IFCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)O 408985512 XFDAWZNJUQZOHJ-BOPFTXTBSA-N 438.436 2.778 10 40 IFCB O=C(NN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S)c1ccccc1 409363786 VDTVHLSLZYETIY-CHHVJCJISA-N 429.435 2.870 10 40 IFCB COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)CC2)cc1 9669018 BEMZGQOPCTXMTA-UHFFFAOYSA-N 443.569 2.751 10 40 IFCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)NC1=S 98086698 ZEMCWYMXAPQOGE-UKTHLTGXSA-N 434.857 2.571 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3cccc(C)c3)S(C)(=O)=O)CC2)cc1 220128034 GKTVDHLAYJHMMT-GOSISDBHSA-N 431.558 2.507 10 40 IFCB CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2/N(C)c3ccccc3C2(C)C)c(=O)n1C 4109338 BRIOXSHMFOVFLR-VVMCNCFBSA-N 444.560 2.556 10 40 IFCB COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408989174 SJIVLEGMHIEUFV-SXGWCWSVSA-N 428.828 2.867 10 40 IFCB COc1ccc(N2CCN(C(=O)COC(=O)CCOc3cc(C)ccc3C)CC2)cc1 6034220 HSARJCMWCBHNMK-UHFFFAOYSA-N 426.513 2.973 10 40 IFCB CC(/C=C1\SC(=S)N(CCCC(=O)NN2CCOCC2)C1=O)=C\c1ccccc1 8820578 NRZDZTOKCYEAFN-BEQKSFQUSA-N 431.583 2.978 10 40 IFCB CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 113950110 JLOSQJOCNVYBRW-JOCHJYFZSA-N 445.585 2.693 10 40 IFCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 223404829 KKXDMBDTZZZQSP-NRFANRHFSA-N 431.558 2.766 10 40 IFCB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(N2CCCC2)cc1 224505930 IQATYPMUSQKXGQ-UHFFFAOYSA-N 445.585 2.795 10 40 IFCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1OC 2242423 JFGFDIIAGKTZJU-HOXUKUGESA-N 425.484 2.613 10 40 IFCB COc1ccc(-c2noc(-c3cccc(NC=C4C(=O)N(C)C(=S)N(C)C4=O)c3)n2)cc1 9061258 GPCMWZTYCZNKTJ-UHFFFAOYSA-N 449.492 2.923 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)CC2)cc1 20647208 FFIUYOJRBXFWMM-KRWDZBQOSA-N 425.489 2.564 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1 409225003 NWJACEFUORBADC-UHFFFAOYSA-N 429.885 2.580 10 40 IFCB COc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)S2)c(OC)c1 8821918 MESYRKKNMNIIDY-ZCXUNETKSA-N 439.449 2.588 10 40 IFCB CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 10113458 FPIMHWDVGJLZGK-UHFFFAOYSA-N 449.548 2.525 10 40 IFCB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Cl)c(OC)c3)N=C2C)cc1 408536458 WNVYHKOBRFDZBD-WJDWOHSUSA-N 434.905 2.975 10 40 IFCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)N1CCOCC1 409015145 APFSNLBSSZWBEX-XSFVSMFZSA-N 435.480 2.739 10 40 IFCB Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 21887137 VHLAKIBRMJNUSG-QHCPKHFHSA-N 436.556 2.506 10 40 IFCB O=C1O[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)Cc2ccccc21 69514560 MIUWSGPWIXCBCP-LJQANCHMSA-N 434.414 2.940 10 40 IFCB CCN1C(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)N=C1S 9166631 FJGSWJLVCSAYCP-BOPFTXTBSA-N 449.488 2.549 10 40 IFCB COc1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 20528400 ISOCWFYSDPLGKS-UHFFFAOYSA-N 442.472 2.529 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 22735675 HIUAXHBCJPHGQU-HSZRJFAPSA-N 429.586 2.648 10 40 IFCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C(=O)NC1=S 409392906 UAWNJBLBAMLANG-LICLKQGHSA-N 425.510 2.836 10 40 IFCB CO[C@@H]1C=C[C@](CNC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)O)(OC)O1 12417902 VEMFSXVFGJTWFP-CBGXFDSISA-N 435.476 2.612 10 40 IFCB CN1C(=O)C(=Cc2cn(CC(=O)N3CCCCCC3)c3ccccc23)C(=O)N(C)C1=S 59087213 BWDNOGMRBJJQIS-UHFFFAOYSA-N 438.553 2.643 10 40 IFCB Cc1cc(C(=O)[C@H](C)OC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1-c1ccccc1 12569513 DBXJNBXMIJHOBU-KRWDZBQOSA-N 445.475 2.912 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(Br)cc1O 409233177 ROHAIEZOHXDDMP-WUXMJOGZSA-N 432.230 2.615 10 40 IFCB Cc1ccc(C)n1-c1ccc(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 9463446 MQQHUBOHRYJFSM-UHFFFAOYSA-N 443.507 2.851 10 40 IFCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 223502656 FQQFESVARBNOMB-UHFFFAOYSA-N 425.501 2.893 10 40 IFCB CCc1cc2c(C)cc(=O)oc2c(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1O 49580940 YAWDFFJXLUEDMS-UHFFFAOYSA-N 448.566 2.937 10 40 IFCB Cc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccccc1 41077700 FHIOSANYUIUZLI-YERBQUFUSA-N 427.511 2.715 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@H](CCSC)Nc3nc(C)cc(C)n3)CC2)cc1 95477820 RDWQDOKHLVACIT-FQEVSTJZSA-N 429.590 2.984 10 40 IFCB CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 225076972 KNQOPMRLUZWBLD-UHFFFAOYSA-N 445.585 2.792 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 409237105 IZEYCZDGCLZMQL-GXDHUFHOSA-N 426.425 2.778 10 40 IFCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 59139496 MGTLIKARHRCHBR-UHFFFAOYSA-N 441.465 2.781 10 40 IFCB COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@@H](/N=N\c2ccc(C(=O)O)cc2)C1=O 104315450 RNZQNRXGBXKHDZ-QNBCRBJRSA-N 437.412 2.619 10 40 IFCB CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409052802 AOKIXBBVMFUOAR-LICLKQGHSA-N 427.482 2.792 10 40 IFCB CC(=O)N1CCCN(S(C)(=O)=O)CCN(Cc2cccc(F)c2O)Cc2ccccc21 643562025 IMKXIWABLASPPJ-UHFFFAOYSA-N 449.548 2.552 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)O 409020585 QUCFHJJTBKSHLW-LERPTODRSA-N 440.477 2.687 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc([N+](=O)[O-])c1O 408854005 VJOBLHBFZYWOIG-RIYZIHGNSA-N 425.397 2.982 10 40 IFCB CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)CC1 13388299 MCZWQGLRSFTWSB-LDADJPATSA-N 426.454 2.989 10 40 IFCB COc1ccccc1/C=C1\SC(=O)N(CC(=O)NCCc2ccc(O)c(O)c2)C1=O 13574792 ZDLXKELDIXTNCF-WQRHYEAKSA-N 428.466 2.502 10 40 IFCB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1C 13671144 QWAQKTFAHXRJBS-LJQANCHMSA-N 445.585 2.611 10 40 IFCB CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4nc[nH]n4)c4ccccc34)[C@@H]21 1565524265 DCFYBTZPBZQVIH-JOCHJYFZSA-N 441.495 2.935 10 40 IFCB CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CC(=O)O)C1=O 16736677 DHQKVNCXIACTCN-ZROIWOOFSA-N 446.554 2.891 10 40 IFCB C[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524325 GARYRYMBZGOEOO-UPCLLVRISA-N 432.524 2.675 10 40 IFCB Cc1cc(C(=O)COC(=O)Cn2c(C)csc2=O)c(C)n1-c1ccc2c(c1)OCO2 9466332 DUSDVEIPVRRHAD-UHFFFAOYSA-N 428.466 2.781 10 40 IFCB Nc1ccc(/N=N\c2c(N)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)c1 104251349 VCLBPBRTEMUQBU-VXPUYCOJSA-N 438.443 2.619 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(C)c3OC)C(=O)NC2=S)c(OC)c1 409098563 IUQIQEKURBLKMX-XNTDXEJSSA-N 442.493 2.861 10 40 IFCB CN(C)Cc1cc(CN2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)ccc1O 19291331 KAAAKPASDYDMIN-XMMPIXPASA-N 435.572 2.591 10 40 IFCB Cc1ccccc1N1C(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C(=O)NC1=S 101362395 HCGCEXDCZPJIKQ-HKWRFOASSA-N 434.565 2.881 10 40 IFCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408915812 ZHDHYTBBAJOFSV-QCDXTXTGSA-N 433.189 2.983 10 40 IFCB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1C 409254883 JJUKJKSATATBRU-UHFFFAOYSA-N 443.912 2.889 10 40 IFCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 9259389 IYLDEZXAFZEFBP-UHFFFAOYSA-N 428.470 2.610 10 40 IFCB COc1ccccc1CNC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 9373459 SAOUIDRVSBJKLP-UHFFFAOYSA-N 429.428 2.944 10 40 IFCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 408785187 YMKIIJLALNBGRY-WOJGMQOQSA-N 433.489 2.954 10 40 IFCB COc1ccccc1NC(=O)CC(=O)N1N=C(C)[C@@H](/N=N/c2ccc(C(=O)O)cc2)C1=O 102918270 RNZQNRXGBXKHDZ-FYTMPNSFSA-N 437.412 2.619 10 40 IFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Cc1ccccc1Br 408867287 KIKIRGGTHYIESN-UHFFFAOYSA-N 431.311 2.963 10 40 IFCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(I)o1 409021608 PREPDTMJODYRAC-YRNVUSSQSA-N 442.209 2.855 10 40 IFCB COc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c(O)c1 12328189 BPCMLFSXZNZVRH-UHFFFAOYSA-N 427.526 2.713 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)O)C2=O)cc1 409246190 GEHPADQAWBMKJM-VLURKWGBSA-N 438.436 2.776 10 40 IFCB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)N[C@@H](CO)Cc1ccccc1 9477220 JCCRNZKOKSFVEN-OKSBFYSISA-N 430.551 2.981 10 40 IFCB O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@@H]1O 12390684 LPTHVJWTDZMISO-DNLHMGNTSA-N 428.988 2.524 10 40 IFCB COc1ccc(N2CCN(C[C@H](CC(=O)Nc3cccc(OC)c3)C(=O)O)CC2)cc1 71280473 XCQRWVIEOQQWFM-KRWDZBQOSA-N 427.501 2.555 10 40 IFCB CC1=NN(C(=O)CC(=O)Nc2ccccc2F)C(=O)[C@@H]1/N=N/c1ccccc1[N+](=O)[O-] 102942796 UCSDHAYQLGLXSW-KGNHYALCSA-N 426.364 2.960 10 40 IFCB COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 409243174 ZNFXXUQEARGXRL-FOWTUZBSSA-N 441.484 2.502 10 40 IFCB CN(C)c1cc2[nH]c(O)nc2cc1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408530027 IKROFVOHDVXHCT-XFXZXTDPSA-N 440.847 2.567 10 40 IFCB COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1COc1ccc(NC(C)=O)cc1 2277744 OEMXIUWIJBHCTQ-UHFFFAOYSA-N 437.452 2.666 10 40 IFCB CN1CCN([C@H](CNC(=O)COc2ccc(Cl)cc2)c2ccc3c(c2)CCN3C)CC1 22733601 GFDYKCDJRLWUAJ-HSZRJFAPSA-N 442.991 2.816 10 40 IFCB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 32906416 DSTNFHDEYQAVPB-UHFFFAOYSA-N 436.553 2.578 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)O 408845846 LRTSXCYCGGFYEB-AWNIVKPZSA-N 448.790 2.618 10 40 IFCB CCOC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] 33370919 XAOYWXUTABGSFW-DHDCSXOGSA-N 445.815 2.652 10 40 IFCB Cc1ccccc1N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 113968597 FVLPPQATHNRQIH-UHFFFAOYSA-N 445.585 2.694 10 40 IFCB COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)C(=O)N=C2O)c1 2190859 HUEDMZDGAHYOLB-RIYZIHGNSA-N 442.424 2.600 10 40 IFCB COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O 408983420 MABBQJZDVBWATN-MLPAPPSSSA-N 431.788 2.937 10 40 IFCB O=C1N=C(O)/C(=C\c2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)CC2)C(=O)N1 8974239 BUGKEQDCVKGBFK-UHFFFAOYSA-N 435.440 2.507 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)C(=O)NC2=S)cc1 409074394 QSVZCEGPHDHOLP-XSFVSMFZSA-N 437.521 2.672 10 40 IFCB COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)CC2)cc1 23818756 IWBDFEXHULOFHB-VWLOTQADSA-N 434.540 2.731 10 40 IFCB CCc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 220284927 WOVLDVRJJINZEE-GOSISDBHSA-N 445.585 2.557 10 40 IFCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)cc1Cl 408780040 QTZSUXWNTBVLSZ-KPKJPENVSA-N 431.788 2.932 10 40 IFCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O 837885 VQZXPZCIKVNYRF-BOPFTXTBSA-N 436.855 2.999 10 40 IFCB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2C[C@@H]1C 20449211 YAMBYOPJDWHIRH-KRWDZBQOSA-N 443.569 2.758 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OC 408946713 ZDIFJJYOZSTSEB-NTUHNPAUSA-N 430.800 2.722 10 40 IFCB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409098834 MEIYBOGQSOATDV-VZWMTCDZSA-N 427.482 2.791 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 8765857 BIQSIIFMCJPLJU-PXNMLYILSA-N 444.490 2.939 10 40 IFCB COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(N)=O)c(OC)c3)SC2=S)c1 96935937 GACDDXRWQVDGSA-MFOYZWKCSA-N 430.507 2.974 10 40 IFCB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1 223352343 MLHBHEZDRIHINF-UHFFFAOYSA-N 437.591 2.992 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O 13572340 CPCWEEHVEXIRSC-NVMNQCDNSA-N 444.440 2.615 10 40 IFCB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(CCCN2CCOCC2)C1=O 13691790 GVOIHZDKGMKRMA-GHRIWEEISA-N 445.566 2.878 10 40 IFCB Cc1cc(-c2csc(N3CCN(C)CC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 25666175 RUVYFHHTCPEQFO-UHFFFAOYSA-N 431.587 2.617 10 40 IFCB CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 40476934 BCEPQSRXHIDFLG-JTQLQIEISA-N 435.571 2.903 10 40 IFCB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc3c(c1)CCCN3C)CC2 257316151 VEIZETXLCFNPNR-HXUWFJFHSA-N 434.588 2.795 10 40 IFCB COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)N2CCC(C(=O)O)CC2)C1=O 9215851 OSWPDMFSZFFIOR-LGMDPLHJSA-N 448.566 3.000 10 40 IFCB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1 16838402 OVHMPNOKVVYHJW-HSZRJFAPSA-N 436.556 2.506 10 40 IFCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)c2C)cc1 409392081 KRLCHGFWFGGTPN-DEDYPNTBSA-N 444.447 2.942 10 40 IFCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)=O 33648898 LIOQVPHXRYDASG-ZSOIEALJSA-N 431.242 2.844 10 40 IFCB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 219267075 UDCJTGLPSYPGCQ-WSTZPKSXSA-N 436.622 2.619 10 40 IFCB COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 408791227 XKWRBARGCQYZGL-WOJGMQOQSA-N 449.488 2.654 10 40 IFCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409124559 AXOMVOIKKLQANG-SDNWHVSQSA-N 429.448 2.633 10 40 IFCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCN1CCOCC1 13400128 HHDHNYDUHWIXPZ-PEZBUJJGSA-N 439.628 2.568 10 40 IFCB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)Oc2ccc(Cl)cc21 20042606 KDNDGTMWWZAMMM-HXUWFJFHSA-N 449.960 2.784 10 40 IFCB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)C(=O)OC 34745966 XWTTZLZQSBKGDU-CCNLRRDASA-N 436.464 2.825 10 40 IFCB COCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C(=O)N(c2ccccc2)C1=O 409012930 LPSYCNNYFDXEER-ATVHPVEESA-N 440.452 2.738 10 40 IFCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=N)N21 20205787 PKLYKUKXKKJAMY-XGMUFTHNSA-N 440.506 2.887 10 40 IFCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)CC2)cc1 225646656 YZYMCDNHXQWKGW-UHFFFAOYSA-N 435.571 2.886 10 40 IFCB COc1ccc2c3c(n(C[C@H]4CCS(=O)(=O)C4)c(=O)c2c1OC)-c1ccccc1C3=O 604404434 NIZVBLQWSJMGDA-CYBMUJFWSA-N 439.489 2.665 10 40 IFCB biogenic CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 49581083 HWFHNNWIYFOALQ-UHFFFAOYSA-N 427.501 2.988 10 40 IFCB COc1ccc(N2CCN(CCCN[C@H](C)CS(=O)(=O)c3ccccc3)CC2)cc1 97033754 JUGVMLWPMMVLQJ-HXUWFJFHSA-N 431.602 2.659 10 40 IFCB COc1cccc(/C=C2\SC(=S)N([C@H](C)C(=O)N3CCC(C(=O)O)CC3)C2=O)c1 9252587 AJKKNLCWHVXPFZ-COOUDCDJSA-N 434.539 2.608 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c(C)c1 22735684 PSPQDQZGGYDTRV-QFIPXVFZSA-N 429.586 2.648 10 40 IFCB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)NC1=S 98086695 XUYTZGCMQVIQKM-GXDHUFHOSA-N 435.299 2.982 10 40 IFCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)cc1Cl 408911663 BOQWHDPNYCDWCK-OVCLIPMQSA-N 431.901 2.791 10 40 IFCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)o1 409228691 CQGUEYDLUTZUPP-MHWRWJLKSA-N 434.364 2.925 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1O[C@H](C)C(=O)O 409238600 LGFAEZLTGYQKIW-WDGDVPDHSA-N 440.477 2.687 10 40 IFCB COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc(Cl)c1O 36613144 VFVMFDUPUUNMQL-NJQKBMNKSA-N 431.875 2.573 10 40 IFCB O=S(=O)(c1ccc(CNCc2ccc(N3CCCCC3)cc2)cc1)N1CCOCC1 8395463 BLRUYXBEKYVPGG-UHFFFAOYSA-N 429.586 2.988 10 40 IFCB COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1cccc(OC)c1 17102054 IDPKUBBDGNAQLU-STZFKDTASA-N 438.440 2.933 10 40 IFCB O=C(C[C@H](c1ccccc1)c1c(O)nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 96221494 HTYGTRUKSMNXEQ-GOSISDBHSA-N 445.475 2.692 10 40 IFCB biogenic CCN(CCO)c1ccc(N/C=C2/C(=O)N=C(S)N(c3ccc(F)cc3)C2=O)cc1 103229613 VBARTIJEIMMPCG-AQTBWJFISA-N 428.489 2.799 10 40 IFCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N(C)C)C2=O)c(C)c1 408526407 BGJBEGMZYHTSBN-JLHYYAGUSA-N 434.456 2.530 10 40 IFCB Cc1cc(C)cc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c2C)c1 9882185 CLLKGDSEXLMGKI-BQYQJAHWSA-N 449.507 2.548 10 40 IFCB CCOc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1O 103126946 JLNRFAUBBLVMLV-JCGAUMLPSA-N 441.513 2.813 10 40 IFCB COc1ccc(N2CCN(C(=O)CCN3CCc4cc(OC)c(OC)cc4C3)CC2)cc1 96231312 VSJMQCYCRJMRAC-UHFFFAOYSA-N 439.556 2.809 10 40 IFCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409393288 PQNOHSKENOMHIN-XDHOZWIPSA-N 430.420 2.854 10 40 IFCB CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 72303728 UUHWUAPUSZESAG-KRWDZBQOSA-N 435.480 2.567 10 40 IFCB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C(=O)NC2=S)c(OC)c1 409108154 SBMBWYJBLKDDJO-NTEUORMPSA-N 428.466 2.552 10 40 IFCB CCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c2cc(Br)ccc21 1282003 MGWTZDBMIRTWIX-VCKOUUQGSA-N 441.328 2.860 10 40 IFCB CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)CC1 8714017 IWLHQIDTCQVGSB-VKAVYKQESA-N 447.582 2.887 10 40 IFCB COc1cccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 10113146 QOFQHPNJAUZAJX-UHFFFAOYSA-N 431.558 2.768 10 40 IFCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)ccc21 408536620 WVZPVVPQXZYMIN-DTQAZKPQSA-N 433.468 2.730 10 40 IFCB O=C(Cc1nc(-c2ccccn2)n[nH]1)Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 1547200916 OCRWSIAFBIRQKT-UHFFFAOYSA-N 448.442 2.706 10 40 IFCB CC(=O)OCCSc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1[N+](=O)[O-] 9310662 NOCGQFJDYVZWTL-NTUHNPAUSA-N 442.496 2.536 10 40 IFCB CCN1C(=O)/C(=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)c2cc(S(N)(=O)=O)ccc21 409197856 QGPBXAHNMXPVLY-PBGVMVHZSA-N 429.542 2.838 10 40 IFCB CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCN(CCO)CC2)c1O 20170902 ONIVYPGCCOLXTC-UHFFFAOYSA-N 448.523 2.714 10 40 IFCB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S 33588444 JJLMKUGLOYXMNT-HJSBDDGSSA-N 446.525 2.925 10 40 IFCB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S 33588445 JJLMKUGLOYXMNT-DKFVHQPUSA-N 446.525 2.925 10 40 IFCB Cc1nn(C)c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408526141 AGNDAIFOFYVMGE-MDWZMJQESA-N 446.305 2.995 10 40 IFCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C 408600807 GHDVDPZZUWMDCE-BOPFTXTBSA-N 438.436 2.692 10 40 IFCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC 409246176 GAIUMHCNKXSBEF-NTUHNPAUSA-N 446.257 2.918 10 40 IFCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 409350345 YBHRSUYIDNGFNC-WUXMJOGZSA-N 445.902 2.576 10 40 IFCB CCN(CC)c1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 224724636 OSQWMWOTPYMYMO-UHFFFAOYSA-N 425.580 2.847 10 40 IFCB C[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCOCC2)cc1 225838572 BHYPVIHMFKBKAN-INIZCTEOSA-N 448.614 2.967 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(C(=O)O)CC3)C2=O)cc1 9429986 YZXSSVIVOZHBAL-VBKFSLOCSA-N 434.539 2.610 10 40 IFCB COc1cccc(N2C(=O)N=C(O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 103089303 NIMSXQAZHIZCMW-QGOAFFKASA-N 447.451 2.912 10 40 IFCB COCCN1C(=O)/C(=C/c2c(N3CCC[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2665875 UFOYOMRYYQWHCZ-QXPQOBGOSA-N 444.582 2.778 10 40 IFCB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(O)c1 19818500 QOTQRJOGFLZLJN-VQTJNVASSA-N 439.468 2.599 10 40 IFCB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)Nc1cc(Cl)ccc1Cl 408756590 WMOGEFPSMUOSNQ-UHFFFAOYSA-N 434.235 2.760 10 40 IFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3nccs3)N3CCCCC3)ccc21 9165285 JVQYRPHNOJKRQY-IBGZPJMESA-N 427.574 2.807 10 40 IFCB COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc(Cl)c1OC 96930776 YTTDXHVYWSGCTQ-RVDMUPIBSA-N 428.963 2.891 10 40 IFCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC[C@H]4CO)c4ccccc34)[C@@H]21 1616044653 NGKWAHCKXCOWQH-SSOJOUAXSA-N 444.535 2.772 10 40 IFCB Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 10113434 SGJCGAWLCKYXRW-LJQANCHMSA-N 445.585 2.611 10 40 IFCB COc1cccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 13008379 KGQJGXULHWEAKM-DEOSSOPVSA-N 439.556 2.646 10 40 IFCB COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCCn3ccnc3)C2=O)cc1 9187733 JMCWMYKJTAGYJN-MTOJCTJASA-N 430.555 2.688 10 40 IFCB CCN1C(=O)N=C(O)/C(=C\c2cn(CC(=O)OC)c3ccc(Br)cc23)C1=O 59087282 WQLAKXCHHLSOPF-AWNIVKPZSA-N 434.246 2.899 10 40 IFCB O=C(O)[C@@H]1CN[C@H](c2cc(Br)cc(I)c2O)S1 408977813 KBDKYNUZQLPECW-CBAPKCEASA-N 430.061 2.548 10 40 IFCB CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(OC)cc2)CC1 57671345 BCQSDTJMYSQHCQ-FQEVSTJZSA-N 436.516 2.732 10 40 IFCB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)CC2)cc1 24606954 HWBFSCJLNOJWIC-QGZVFWFLSA-N 449.598 2.506 10 40 IFCB C[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S 43730661 IRDVGJQCOKMEBC-BBMJWPBGSA-N 426.563 2.996 10 40 IFCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 100759173 LJKPZQOANANELL-XSFVSMFZSA-N 438.528 2.712 10 40 IFCB C[C@@H](Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)O 107609698 ZNXKQPPYIMKEHN-RLIURORJSA-N 431.242 2.762 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O 2451973 DJRZIPLCKFJXHA-YBEGLDIGSA-N 436.536 2.804 10 40 IFCB COCCN1C(=O)/C(=C/c2c(OC)cc(OC)cc2OC)C(=O)N(c2ccccc2)C1=O 9323787 FDYDEAXDDGZIFF-JXAWBTAJSA-N 440.452 2.738 10 40 IFCB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1 41077788 PCTAJTHKUBSAJI-XGMUFTHNSA-N 440.506 2.887 10 40 IFCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1 408656575 FRQRPYWGFUAEAX-HBMCJLEFSA-N 432.476 2.731 10 40 IFCB CN1CCN(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 8763447 BVECAIIEMRAQPH-JQIJEIRASA-N 438.644 2.788 10 40 IFCB NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 409225693 NSNCFQCSUZYORD-WUXMJOGZSA-N 434.235 2.524 10 40 IFCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N[C@@H](Cc1ccccc1)C(=O)O 8870060 VXRXBYJEWCWSOE-BQGMYUGNSA-N 426.519 2.700 10 40 IFCB CSc1cccc(-n2c(C)cc(C(=O)CN3CCN(CC(=O)NC4CC4)CC3)c2C)c1 22924578 NSVOKGTZPSVVHH-UHFFFAOYSA-N 440.613 2.895 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CCN1C(=O)S/C(=C\c2ccccc2)C1=O 9348396 QMHLETJZWQNNAJ-ODLFYWEKSA-N 440.477 2.866 10 40 IFCB COc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)CC2)cc1 12764355 LOCBOYRBVQYOPT-UHFFFAOYSA-N 446.433 2.716 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3=NCCS3)C2=O)cc1OC 8686829 XTEVMDVJWSDMHG-UVTDQMKNSA-N 437.568 2.514 10 40 IFCB COC(=O)c1cc2ccccc2c(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1O 16835901 HJBZJVVQKOAFMS-UHFFFAOYSA-N 446.550 2.900 10 40 IFCB CCc1ccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)C(=O)NC2=S)cc1 108276499 SRCDTLVMVNYWNE-WOJGMQOQSA-N 432.505 2.520 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1O 408897431 WYUMLHDOJYDGSC-RIYZIHGNSA-N 444.827 2.897 10 40 IFCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 409200609 IPVFGWKTKUZCQK-GEBKJHSDSA-N 429.542 2.927 10 40 IFCB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1CCS(=O)(=O)O 1774490 YLSWTGHHMBMISW-ZROIWOOFSA-N 440.480 2.944 10 40 IFCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 33452049 APNDSCPCOJJJMY-NDENLUEZSA-N 445.431 2.952 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1OC 409063416 BKCCKSLVZCDFPR-XNTDXEJSSA-N 442.493 2.942 10 40 IFCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9221398 PHYXQFPMYWKMTA-UHFFFAOYSA-N 443.569 2.580 10 40 IFCB COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)cc1 10053913 RPBFNHSIENPAFI-QFIPXVFZSA-N 437.540 2.952 10 40 IFCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)c1 59679749 HTJGUGHRMRJHHS-FHXOWUIVSA-N 440.477 2.769 10 40 IFCB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008101 IHCVWSGEFUURLY-JOCHJYFZSA-N 436.556 2.969 10 40 IFCB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(CCCN2CCOCC2)C1=O 102726752 GVOIHZDKGMKRMA-LGMDPLHJSA-N 445.566 2.878 10 40 IFCB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(N(C)C)cc4)sc3nc2=O)cc1 2411205 UZMGYXCEEFYKEC-QNGOZBTKSA-N 448.548 2.505 10 40 IFCB CCOC(=O)c1c(NC(=O)C[C@H](NCc2cccnc2)C(=O)O)sc2c1CCCC2 10186432 MSLVRMSGZQSITE-HNNXBMFYSA-N 431.514 2.770 10 40 IFCB COc1ccc(CN2C(=O)N=C(O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 17122516 RPVQICGYZWBTJY-NSIKDUERSA-N 425.353 2.834 10 40 IFCB COc1ccc(N2CCN(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)cc1 57355028 WNFHGJWUBJGNDZ-JOCHJYFZSA-N 437.540 2.952 10 40 IFCB Cc1ccc(N2C(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1 15304238 RLHWRNNKWKLLFL-AQTBWJFISA-N 447.520 2.537 10 40 IFCB CN1CCN([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccc3c(c2)CCN3C)CC1 22733696 TWSUQZYMXDBQBY-QHCPKHFHSA-N 446.551 2.504 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC 408808682 MYEMNRDSKYBUNV-AWNIVKPZSA-N 431.788 2.932 10 40 IFCB CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(N(C)C)cc4)sc3nc2=O)cc1 26779391 UZMGYXCEEFYKEC-RCCKNPSSSA-N 448.548 2.505 10 40 IFCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 13569408 MPGMMJMMBUVGGF-FKVLARQCSA-N 447.447 2.891 10 40 IFCB Cc1ccc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 113956172 BBGRRFMTPZNBOV-UHFFFAOYSA-N 445.585 2.694 10 40 IFCB CCN(c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)S(=O)(=O)CC 113972337 LPJSPCUAOODUKC-UHFFFAOYSA-N 431.558 2.629 10 40 IFCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCC3)C2=O)c1 408529762 JYFIBGNOVWPVIT-NTCAYCPXSA-N 446.467 2.756 10 40 IFCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408723297 STPBXGJVCSQBKG-WUXMJOGZSA-N 448.800 2.693 10 40 IFCB COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc(OC)c1OC 8683526 HSCAHGZMFCAKOO-SXGWCWSVSA-N 445.522 2.947 10 40 IFCB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=N)N21 8682897 PVLCUQIXLKNBDN-KWWXOIQGSA-N 433.902 2.752 10 40 IFCB CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1 13562094 ZJGUPEXNACTNGT-WJDWOHSUSA-N 433.249 2.819 10 40 IFCB Cn1c(=O)c(C2=NNC(=O)/C2=C\Nc2ccc(Br)cc2)c(O)c2ccccc21 100261046 KXKUAHXCTPRBGS-UVTDQMKNSA-N 439.269 2.837 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)c(OC)c3)C2=O)cc1 409009624 HADLZXDWNGRNAK-HNEYUBDGSA-N 438.436 2.776 10 40 IFCB COc1ccc(N2CCN(C(=O)CN3C(=O)S/C(=C/c4ccco4)C3=O)CC2)cc1 8991636 SNFSETNNVARHOV-QGOAFFKASA-N 427.482 2.673 10 40 IFCB Cc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1Cc1ccccc1 41077905 JSKGNKMMMXLPPP-QNMDCZIWSA-N 441.538 2.775 10 40 IFCB CN(CCCC(=O)NC(C)(C)C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 10383335 URIBGUSZFKBWME-UHFFFAOYSA-N 442.537 2.777 10 40 IFCB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Br)cc3)C(=N)N21 20207257 GLRISCVRGDUYDA-XZPRFMIFSA-N 441.332 2.849 10 40 IFCB Cc1cccc(N2C(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)c1 19949510 KDIRVQGKGFKULS-RCCKNPSSSA-N 434.565 2.881 10 40 IFCB CCCc1nc(S/C(=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408631236 GQTWVPXITXIGKU-FOWTUZBSSA-N 432.506 2.635 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc(OC)c1OC 13750012 JANRLYAJWVCNFU-SXGWCWSVSA-N 446.506 2.964 10 40 IFCB CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 12412878 HNPRTACGJSEJAN-GHXNOFRVSA-N 444.205 2.937 10 40 IFCB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCO2 12554892 JCSWXGBQHIZNBO-INIZCTEOSA-N 441.513 2.963 10 40 IFCB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 13572659 FIWYXFINISSTQJ-LSCVHKIXSA-N 444.440 2.615 10 40 IFCB COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1OC 96193412 UGKJAHBEASABEY-NVNXTCNLSA-N 435.889 2.811 10 40 IFCB COCCCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C(C(=O)OC)=C1C 408894445 QNOJJDIEXMMNRZ-QPEQYQDCSA-N 438.274 2.887 10 40 IFCB COc1ccc(OCCn2c(C)c(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc1 8450626 LNRSAPAPWKYCQN-UHFFFAOYSA-N 435.505 2.952 10 40 IFCB Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 13670402 ZPAMBRNYSBKQFX-IBGZPJMESA-N 445.585 2.611 10 40 IFCB COc1ccc(N2CCN(C(=O)c3ccc(C)c(N4CCCCS4(=O)=O)c3)CC2)cc1 21756434 YEJAINJXFLDDIM-UHFFFAOYSA-N 443.569 2.896 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 5341064 BIMLCIVVAOJLGO-FQEVSTJZSA-N 425.489 2.553 10 40 IFCB Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=S)NC2=O)cc1Cl 409254268 WRYDSEYIUIYSIW-UHFFFAOYSA-N 429.885 2.580 10 40 IFCB CCc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)S(C)(=O)=O)cc1 220271149 QSWMIOJRQNLARV-SFHVURJKSA-N 445.585 2.761 10 40 IFCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409080971 OTGUQMQXBQCBEB-UHFFFAOYSA-N 448.800 2.863 10 40 IFCB Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1C 9471629 BFUZQRGFNYDNQW-NRFANRHFSA-N 430.570 2.964 10 40 IFCB CCOc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(OC)cc4)CC3)n2)cc1 54146953 ZFBCXVSIKGMRLU-UHFFFAOYSA-N 435.532 2.927 10 40 IFCB CCOc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c1O 59105217 XJEDISLHSFABGI-AWNIVKPZSA-N 441.352 2.935 10 40 IFCB CN1CCN(c2ccc(CNC(=O)c3ccc(I)cc3)cc2)CC1 216931986 HWOLVHBMCSKXTP-UHFFFAOYSA-N 435.309 2.973 10 40 IFCB CCOC(=O)CCN(CCCN(C)C)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 5393060 MXXKBRRQCMJOMQ-UHFFFAOYSA-N 440.496 2.585 10 40 IFCB COc1ccc2nc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)ccc2c1 9422478 YOMGGZJPEWEYND-UWZYDCLUSA-N 432.479 2.763 10 40 IFCB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 33034145 RLGGQDWCZPULCB-UHFFFAOYSA-N 444.553 2.549 10 40 IFCB COc1ccc(OCCn2cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c3ccccc32)cc1 409161287 MKDJVJAMQZXHJJ-UYRXBGFRSA-N 435.505 2.985 10 40 IFCB COc1ccc(N2CCN(CCCNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)cc1 39983340 YOWFCEGXNVDIKX-UHFFFAOYSA-N 441.532 2.612 10 40 IFCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)C(=O)O 409019925 KWWIVFYWWAWNPX-BTAWCLGRSA-N 444.827 2.867 10 40 IFCB Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 1880781 DMOWIJPSCPSZAB-ZSOIEALJSA-N 446.554 2.747 10 40 IFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)N3CCCC3)ccc21 9135528 ZRWVWYUIQJBMPF-QHCPKHFHSA-N 438.547 2.778 10 40 IFCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S 9419126 BHIAVBCENULYJH-NHKNYXOTSA-N 446.506 2.610 10 40 IFCB COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H](C(C)=O)N21 13656487 OHJZXWILKAGHBT-BJESRGMDSA-N 446.459 2.599 10 40 IFCB COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 20621012 DHMYBXXPMPKMPG-UHFFFAOYSA-N 425.397 2.616 10 40 IFCB Cc1cc(C)nc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2[N+](=O)[O-])n1 409161662 OMUNWTGAFAVENR-UHFFFAOYSA-N 427.442 2.587 10 40 IFCB CCOc1ccc(OCCC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 9962971 WMUOYXXDQCHVSU-UHFFFAOYSA-N 442.512 2.755 10 40 IFCB Cc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1 22734875 DMUVDYJEPLQMRH-RUZDIDTESA-N 436.600 2.861 10 40 IFCB CN1CCN([C@H](CNC(=O)COc2ccccc2F)c2ccc3c(c2)CCCN3C)CC1 22734881 GIDWJTJNSPLATA-HSZRJFAPSA-N 440.563 2.692 10 40 IFCB CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 658494 XSPUVXGTGJLCHQ-CAXXOGMASA-N 427.320 2.892 10 40 IFCB COc1ccc(N2CCN(C(=O)Nc3snnc3C(=O)NC3CCCCC3)CC2)cc1 25183890 CWYQRVNXWYDBSK-UHFFFAOYSA-N 444.561 2.963 10 40 IFCB CCN(C(=O)/C=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)[C@H]1CCS(=O)(=O)C1 32718968 OLXCQNNBTNRTRL-MEQKGCOVSA-N 430.526 2.872 10 40 IFCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1 13572863 POVILOIRVWUTGL-PXNMLYILSA-N 444.490 2.939 10 40 IFCB CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccccc1)S(C)(=O)=O 13711330 JLDKRCDPHNQAKX-NRFANRHFSA-N 431.558 2.589 10 40 IFCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409190119 KVECLLYGBZNZCG-LFIBNONCSA-N 439.468 2.955 10 40 IFCB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)CC2)cc1 12420871 PEORLULAYJQAFF-IBGZPJMESA-N 444.329 2.912 10 40 IFCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409389146 AMIXNWOYNLVFTG-KPKJPENVSA-N 432.230 2.528 10 40 IFCB COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1 13008276 YJZBIXJCTVRDAZ-NRFANRHFSA-N 439.556 2.890 10 40 IFCB CC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2C[C@@H]1C 14096982 GDJHQVQJLMEWFV-KRWDZBQOSA-N 443.569 2.641 10 40 IFCB O=C(CCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 33538692 QZYOQQIGDDMGQM-FVCADXAOSA-N 448.591 2.651 10 40 IFCB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc3c(c1)CCCN3C)CC2 257316150 VEIZETXLCFNPNR-FQEVSTJZSA-N 434.588 2.795 10 40 IFCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409392852 NZSIGRAZLFIZII-MDWZMJQESA-N 446.257 2.918 10 40 IFCB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NN3CCN(C)CC3)C2=O)cc1 1817193 LKGXUFJUQCKSOD-OBGWFSINSA-N 432.615 2.509 10 40 IFCB O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@@H]1O 54361061 LPTHVJWTDZMISO-PTRWATSXSA-N 428.988 2.524 10 40 IFCB CCN1C(=O)/C(=c2/s/c(=C3\Sc4ccccc4N3CC)c(=O)n2CC)SC1=S 100505335 BGNSBYYDEDWCAT-JTFWXBGUSA-N 449.648 2.616 10 40 IFCB CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCOCC3)c12 409131957 ZHLKKWWPXGDQBS-BOPFTXTBSA-N 429.567 2.894 10 40 IFCB CCOc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1OC 33366792 JFGFDIIAGKTZJU-ZECSTPGPSA-N 425.484 2.613 10 40 IFCB Cc1nonc1CC(=O)N(Cc1ccco1)C1CCN(c2ccc3c(c2)OCCO3)CC1 12144208 UZFRWRACZUFNQL-UHFFFAOYSA-N 438.484 2.983 10 40 IFCB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409098831 MEIYBOGQSOATDV-VGSSETLESA-N 427.482 2.791 10 40 IFCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O)N1CCOCC1 409128199 IQZKLJDUCHSMQQ-QGOAFFKASA-N 433.505 2.711 10 40 IFCB CCN(c1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1)S(=O)(=O)CC 222405171 XTHJIBCPWOFOHA-UHFFFAOYSA-N 444.601 2.544 10 40 IFCB Cc1cccc(C)c1NC(=O)CCc1nnc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12 5615921 BPLCLLASTFHUSQ-RGEXLXHISA-N 447.564 2.953 10 40 IFCB COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc(Cl)c1O 36613143 VFVMFDUPUUNMQL-ISAHRAOESA-N 431.875 2.573 10 40 IFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1 408888548 WXUUBJZAZAACJP-NTEUORMPSA-N 445.225 2.608 10 40 IFCB O=C(NN1C(=O)/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)SC1=S)c1cccnc1 4289875 HNYOSXJYDRLFAL-SEYXRHQNSA-N 427.423 2.508 10 40 IFCB COc1cccc(Oc2c(C)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)c1 20358399 WEFVJDHVCCOHMX-UHFFFAOYSA-N 440.496 2.718 10 40 IFCB biogenic COCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3ccccn3c2=O)SC1=S 16741255 VGTAWUKBXRPILW-SQFISAMPSA-N 430.555 2.532 10 40 IFCB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 3032531 XBVCLDGYCFQVLW-UHFFFAOYSA-N 431.267 2.583 10 40 IFCB COc1ccc(N2CCN(C(=O)c3nn(-c4ccccc4C)c(=O)cc3OC)CC2)cc1 9573778 YHYUQODMRQKJBX-UHFFFAOYSA-N 434.496 2.521 10 40 IFCB COc1ccc(N2CCN(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)cc1 57355031 WNFHGJWUBJGNDZ-QFIPXVFZSA-N 437.540 2.952 10 40 IFCB CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 96321942 CPLJNMRPBPRSQM-UHFFFAOYSA-N 447.582 2.993 10 40 IFCB COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccccc4)nn3)CC2)cc1 8975858 AZLITYIAEBFLNZ-UHFFFAOYSA-N 425.514 2.613 10 40 IFCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(NCC(C)C)nc12 13713663 BMSZCJVFFUEASC-ZROIWOOFSA-N 446.554 2.747 10 40 IFCB O=C1O[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)Cc2ccccc21 69514564 MIUWSGPWIXCBCP-IBGZPJMESA-N 434.414 2.940 10 40 IFCB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC1=S 103557805 KPFAYZOKNVQHFR-MDZIGFAHSA-N 442.858 2.847 10 40 IFCB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 4030267 LWSXAOWOZRUQPG-APWZRJJASA-N 434.533 2.875 10 40 IFCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(O)cc1 214682457 MDAYNYGZKFRZGQ-XDHOZWIPSA-N 441.509 2.695 10 40 IFCB Cc1c(/C=C2/NC(=O)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408595221 WAPVWFGUAUZCNO-VCHYOVAHSA-N 434.408 2.884 10 40 IFCB Cc1cc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccc2c(c1)OCO2 8721356 AJQSDDKZPQCYPR-QPJJXVBHSA-N 431.496 2.975 10 40 IFCB CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S)C(=O)O 8870104 FYMGBXJNHNLOPL-PVPZKTMUSA-N 436.555 2.902 10 40 IFCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 95471493 HTSLMMDBBSVSGJ-ZHZULCJRSA-N 444.488 2.565 10 40 IFCB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1020038 LWSXAOWOZRUQPG-VQIMIIECSA-N 434.533 2.875 10 40 IFCB O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1 1834772 LJUBNCBVBAFGQK-HMMYKYKNSA-N 426.586 2.701 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3F)N3CCCC3)ccc21 8964103 FJWTUFTYUXBPBP-OAQYLSRUSA-N 428.483 2.849 10 40 IFCB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccccc1F 20482391 PTRQGVYJKLAMID-UHFFFAOYSA-N 448.564 2.745 10 40 IFCB Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1C 22735690 IQQGCRPTZRWFPU-QHCPKHFHSA-N 443.613 2.956 10 40 IFCB CC(=O)c1cccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 13668781 HVIXQUNHCDWAKB-UHFFFAOYSA-N 443.569 2.962 10 40 IFCB CN1CCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)N3CCOCC3)ccc21 22733230 BUACMHKMCCRJIK-JOCHJYFZSA-N 429.948 2.901 10 40 IFCB CCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c2cc(Br)ccc21 1282005 MGWTZDBMIRTWIX-ZCCYMHNXSA-N 441.328 2.860 10 40 IFCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 9299716 FYOQNPYVKUJICC-KPKJPENVSA-N 448.254 2.894 10 40 IFCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)ccc21 13566772 KUZGQXWUIJXLCW-GHRIWEEISA-N 433.468 2.730 10 40 IFCB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 35400197 AZHWLZINMRSKTA-UHFFFAOYSA-N 433.512 2.660 10 40 IFCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 408852276 RMSQGAXKMYNMOA-YRNVUSSQSA-N 431.401 2.582 10 40 IFCB O=C(O)CN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)SC1=S 409347764 NJGNLWVJGIDLDA-YBEGLDIGSA-N 428.491 2.990 10 40 IFCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC[C@@H]4CO)c4ccccc34)[C@@H]21 1616044650 NGKWAHCKXCOWQH-CRICUBBOSA-N 444.535 2.772 10 40 IFCB CN1CCN(C(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1 1616044743 VVESMESYDOWUJW-VWLOTQADSA-N 443.551 2.562 10 40 IFCB C[C@@H](Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-])C(=O)O 108101612 HPNVYRJFURROMY-DOQDJBIESA-N 431.788 2.562 10 40 IFCB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCCCC2)cc1 219442801 RXLCUXWXQGMRNJ-UHFFFAOYSA-N 441.553 2.918 10 40 IFCB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)no1 9138090 UBELLZMGAJNZQF-HXUWFJFHSA-N 425.533 2.647 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(C)c1 22735834 RPMYXYKVNAGJGX-QHCPKHFHSA-N 442.629 2.563 10 40 IFCB COc1ccc(N2CCN(CCNC(=O)C(=O)c3c(C)n(C)c4ccccc34)CC2)cc1 56896031 IKLDZFYMVSXVBC-UHFFFAOYSA-N 434.540 2.616 10 40 IFCB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N(C)C)ccc21 9135437 LNUMSJJPTOBQCS-NRFANRHFSA-N 428.964 2.758 10 40 IFCB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(N(C)C)cc1 9468945 SQIZNYXGIUYTBD-SFHVURJKSA-N 444.601 2.996 10 40 IFCB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 13007866 DUNXVZZTEDQQHA-DEOSSOPVSA-N 434.584 2.947 10 40 IFCB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc5c(c4)OCCO5)CC3)ccc21 19017794 YLXBOEWHXPGZSR-HSZRJFAPSA-N 437.540 2.613 10 40 IFCB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CCOCC2)cc1 22998835 DRCZHXBABURIDJ-FQEVSTJZSA-N 430.936 2.534 10 40 IFCB COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)ccc1OC(F)F 96930766 BIMAKTFWKSIOCW-RVDMUPIBSA-N 430.498 2.830 10 40 IFCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1O 408884748 VHOLBWTUSLZRRY-NTUHNPAUSA-N 432.186 2.729 10 40 IFCB CCc1ccc(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 19950552 QDZVWVFRYPATKB-JWGURIENSA-N 432.524 2.970 10 40 IFCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)cc2)C1 219267123 UDCJTGLPSYPGCQ-GGPKGHCWSA-N 436.622 2.619 10 40 IFCB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)NC2=O)cc1OC 409326353 AUQVZGKGGOPCLR-IZZDOVSWSA-N 432.317 2.888 10 40 IFCB COCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 8915465 FNBKOPNNQMXZGY-SSZFMOIBSA-N 444.582 2.778 10 40 IFCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc3cc4c(cc3[nH]c2=O)OCCO4)SC1=S 9419127 BHIAVBCENULYJH-UBYXTUIOSA-N 446.506 2.610 10 40 IFCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc(OC)c1OC 13750619 JXMPDLQLMJFEDW-YBEGLDIGSA-N 446.506 2.964 10 40 IFCB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1cccc2ccccc12 408899521 PZCHOBOMEYSBOQ-UHFFFAOYSA-N 432.457 2.982 10 40 IFCB CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 8820372 LTGRDTBWLYAXEC-XEWCJNAKSA-N 445.566 2.745 10 40 IFCB CCN(C(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 15811906 ZOIMTGXHQRSPMI-HKUYNNGSSA-N 432.542 2.675 10 40 IFCB COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)Nc4ccccc4)co3)CC2)cc1 56949800 JXMKQNCAMFLYQA-UHFFFAOYSA-N 449.507 2.988 10 40 IFCB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 409056094 DYIJYNLLZRRLOU-UYRXBGFRSA-N 425.510 2.909 10 40 IFCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Br)cc1O 409390054 DJNKJPGZTDIVGF-KPKJPENVSA-N 432.230 2.615 10 40 IFCB COc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 23134857 PUWFFPQICHGHHE-UHFFFAOYSA-N 446.433 2.648 10 40 IFCB O=C1N=C(S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NCCN1CCCCC1 102593962 ARDOZALLMUVWMM-QINSGFPZSA-N 426.464 2.824 10 40 IFCB Cc1c(N/C=C2/C(=O)N(CCc3ccccc3)C(=O)N=C2O)c(=O)n(-c2ccccc2)n1C 9329522 JWIFWYLWZFWNFW-XDJHFCHBSA-N 445.479 2.942 10 40 IFCB aggregator CCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 16732691 UMNVOJGRFMOMKY-HNENSFHCSA-N 437.546 2.941 10 40 IFCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)O 408917079 MDXACCKNDQRZBY-DHDCSXOGSA-N 444.440 2.519 10 40 IFCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC[C@H]4CO)c4ccccc34)[C@H]21 1616044651 NGKWAHCKXCOWQH-GKVSMKOHSA-N 444.535 2.772 10 40 IFCB CN1CCN(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 8820512 ORABRNUYOHCJFR-PCAXMVLJSA-N 430.599 2.503 10 40 IFCB CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713441 HXNTWUJIJJJLMJ-QFIPXVFZSA-N 445.585 2.897 10 40 IFCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C1=O 20023744 XMNGPNWSTNZINH-CAPFRKAQSA-N 448.523 2.806 10 40 IFCB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)s1 22735541 MUVZGOCMTNVBQU-FQEVSTJZSA-N 435.615 2.791 10 40 IFCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/NC[C@@]3(C)C[C@H](O)CC(C)(C)C3)C2=O)cc1 100556749 XBYAKZDIXXTLPX-MQAJCVKKSA-N 429.517 2.719 10 40 IFCB COc1ccc(N2CCN(C(=O)CC34C[C@@H]5C[C@@H](C3)CC(n3ncnn3)(C5)C4)CC2)cc1 102831670 BADTVUQLMXTCMH-AYJAPBJVSA-N 436.560 2.716 10 40 IFCB CC1CCN(c2ccc([C@H](C)NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 218327535 XWJLVXIAXHFGFN-KRWDZBQOSA-N 441.553 2.945 10 40 IFCB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1 21887007 PEMQDKQJJXODJW-HSZRJFAPSA-N 436.556 2.506 10 40 IFCB COc1ccc(N2CCCN(CC3CCN(C(=O)c4cnn(C)c4C)CC3)CC2)cc1 72338554 MOSRWHLSOVDGMW-UHFFFAOYSA-N 425.577 2.802 10 40 IFCB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1I 113941860 DMUOUPNNNISCIW-UHFFFAOYSA-N 446.310 2.844 10 40 IFCB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc(Cl)c([N+](=O)[O-])cc3OC)C2=O)cc1 408530876 MYRSPKPMOXOUOO-XFXZXTDPSA-N 446.803 2.844 10 40 IFCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)cc1 408804874 ZUUJMFIDZBCSKO-GZTJUZNOSA-N 438.436 2.935 10 40 IFCB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409197343 CETNKJXABATZJW-UYRXBGFRSA-N 436.512 2.914 10 40 IFCB COc1ccc(N2CCC(O)(CN3CCC4(CC3)C[C@@H](N(C)C(C)=O)CCO4)CC2)cc1 2037845569 CNLCZBGADQIPRL-QFIPXVFZSA-N 445.604 2.518 10 40 IFCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O[C@@H](C)C(=O)O 409246712 AQYLPEYRGITJJZ-KBVGCWLLSA-N 444.827 2.867 10 40 IFCB